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Search DetailsTAMIKI KOMATSUZAKI
| Research Institute for Electronic Science Research Center of Mathematics for Social Creativity | Professor |
| Center for Human Nature Artificial Intelligence and Neuroscience | Professor |
| Institute for Integrated Innovations Institute for Chemical Reaction Design and Discovery | Professor |
Researcher basic information
■ Degree■ URL
researchmap URLホームページURL■ Various IDs
Researcher number
- 30270549
Research Keyword
- 情報計測 時系列解析 データマイニング 生体情報 非平衡・非線形物理学 統計物理学 化学物理 生物物理 化学反応 分子動力学 タンパク質・核酸の構造・動態・機能 フォールディング 1分子計測・操作 非平衡・複雑系
- Functions Folding Single Molecule Measurement Complex Systems
- Dynamics
- Nolinear Physics Statistical Physics Chemical Physics Biological Physics Chemical Reaction Molecular Dynamics Protein Structure
- Time Series Analysis Data Mining Biological Information Nonequilibrium
- Life Science, Biophysics
- Nanotechnology/Materials, Fundamental physical chemistry
- Natural Science, Biophysics, chemical physics and soft matter physics
- Natural Science, Mathematical physics and fundamental theory of condensed matter physics
- Master's degree program, Graduate School of Chemical Sciences and Engineering
- Doctoral (PhD) degree program, Graduate School of Chemical Sciences and Engineering
Career
■ CareerCareer
- Sep. 2024 - Present
FlyWorks Inc., Techinical Advisor - Apr. 2023 - Present
情報計測オンラインセミナー運営委員会 委員 - Apr. 2022 - Present
大阪大学 先導的学際研究機構 超次元ライフイメージング研究部門 招へい教授 - Nov. 2021 - Present
東京大学 客員共同研究員 - Jul. 2019 - Present
北海道大学人間知・脳・AI研究教育センター, 兼務教員 - Oct. 2018 - Present
Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, PI - Apr. 2018 - Present
Hokkaido University, Graduate School of Chemical Sciences and Engineering, 教授 - Apr. 2015 - Present
Hokkaido University, Research Institute for Electronic Science, 教授 - Apr. 2025 - Mar. 2027
日本生物物理学会代議員 - Jul. 2022 - Mar. 2025
大阪大学産業科学研究所, 特任教授 - Apr. 2022 - Mar. 2025
学術変革領域B「嫉妬の科学」外部アドバイザー - Apr. 2022 - Mar. 2024
生物物理学会北海道支部長 - Oct. 2022 - Oct. 2023
日本化学会代議員 - Nov. 2022 - Mar. 2023
情報計測オンラインセミナー運営委員会 委員長 - Apr. 2022 - Mar. 2023
SIAM Conference on Applications of Dynamical Systems (DS23) Organizing Committee - Jun. 2021 - Nov. 2022
情報計測オンラインセミナー運営委員会 副委員長 - Oct. 2021 - Mar. 2022
早稲田大学 先進理工学部 非常勤講師(集中講義) - Oct. 2021 - Mar. 2022
東京大学大学院総合文化研究科 非常勤講師(集中講義) - Oct. 2020 - Mar. 2021
東京大学大学院理学研究科化学専攻 非常勤講師 (集中講義) - Apr. 2017 - Mar. 2021
北海道大学共同プロジェクト拠点「知識メディアラボラトリ」, 運営委員 - Oct. 2007 - Mar. 2021
Hokkaido University, Graduate School of Life Science, 教授 兼任 - May 2019 - May 2019
リヨン高等師範学校(Ecole normale supérieure de Lyon), 客員教授 - Apr. 2015 - Mar. 2019
Hokkaido University, Research Institute for Electronic Science, センター長 - Nov. 2018 - Dec. 2018
リヨン高等師範学校(Ecole normale supérieure de Lyon), 客員教授 - Jun. 2016 - Jul. 2016
ブルゴーニュ大学, CNRS-Université de Bourgogne, 客員教授 - Apr. 2015 - Mar. 2016
Chuo University, Faculty of Science and Engineering, Department of Physics, 非常勤講師(集中講義) - Apr. 2008 - Mar. 2015
数学連携研究センター, 教授 兼任 - Oct. 2007 - Mar. 2015
Hokkaido University, Research Institute for Electronic Science, 教授 - Jul. 2003 - Sep. 2007
21世紀COEプログラム「惑星系の起源と進化」兼任 - Jul. 1999 - Sep. 2007
Kobe University, Graduate School of Science and Technology, Department of Information and Media Science, 助教授併任 - Jul. 1999 - Sep. 2007
Kobe University, Faculty of Science, Department of Earth and Planetary Sciences, 助教授 - Apr. 2006 - Mar. 2007
Hiroshima University, Faculty of Science, Department of Chemistry, 非常勤講師 (集中講義) - Apr. 2005 - Mar. 2006
Institute for Molecular Science, 分子基礎理論第四研究部門, 客員助教授 - Apr. 2004 - Mar. 2005
Ibaraki University, Graduate School of Science and Engineering, 非常勤講師 (集中講義) - Apr. 2003 - Mar. 2004
The University of Tokyo, 教養部・大学院総合文化研究科 (集中講義), 非常勤講師 - Apr. 2001 - Mar. 2002
Shiga University, Faculty of Education, 非常勤講師 - Apr. 1998 - Jun. 1999
シカゴ大学化学科, research associate(医療保険、退職金完備) - Mar. 1997 - Mar. 1998
シカゴ大学化学科, 日本学術振興会 特別研究員(PD) - Apr. 1994 - Feb. 1997
基礎化学研究所(現、京都大学福井謙一記念研究センター), 研究員/日本学術振興会 特別研究員(PD)
- Oct. 2023 - Present
科学技術振興機構・創発アドバイザー, Society - Jun. 2019 - Present
科学技術振興機構・さきがけ「革新的な量子情報処理技術基盤の創出」, アドバイザー, Society - Jan. 2018 - Present
人工知能学会第2種研究会 計測インフォマティクス研究会 (Special Interest Group on Measurement Informatics: SIG-MEI), 幹事, Society - Feb. 2017 - Present
“Scientific Reports” Division of Chemical Physics, Editorial Board, Society - 2025 - Mar. 2026
日本化学会, 学術賞・進歩賞審査委員長 - Jan. 2024 - Dec. 2025
生物物理学会, 「生物物理」編集委員長 - Apr. 2025 - Sep. 2025
JST/CREST 「生命力」領域, 外部評価委員 - 2024 - Mar. 2025
日本化学会, 学術賞・進歩賞審査副委員長, Society - Jan. 2024 - Dec. 2024
生物物理学会, 分野別専門委員(非線形・カオス・複雑系), Society - Dec. 2019 - Dec. 2023
日本生物物理学会, Biophysics Physicobiology 副編集委員長, Society - Jan. 2013 - Dec. 2023
“Biophysics and Physicobiology”, Editorial Board, Society - Feb. 2023 - Sep. 2023
JST/ERATO, 選考パネルメンバー - Apr. 2021 - Mar. 2023
分子科学研究所, 学会等連絡会議構成員, Society - Apr. 2017 - Mar. 2022
生物物理学会北海道支部, 幹事, Society - Jun. 2019 - May 2021
日本生物物理学会, 副会長, Society - Apr. 2009 - Mar. 2021
(財)新世代研究所「バイオ単分子研究会」, 研究会委員, Society - Aug. 2020 - Dec. 2020
JST/創発的研究支援事業, 外部専門委員, Government - Dec. 2019 - Nov. 2020
Biophysical Reviews, Springer Nature IUPAB, Special Issue Editor, Society - Apr. 2019 - Sep. 2019
JST/ERATO, 選考パネルメンバー, Society - Apr. 2018 - Sep. 2018
JST/ERATO, 選考パネルメンバー, Society - Apr. 2017 - Mar. 2018
日本化学会北海道支部, 学会賞推薦委員・学術賞等推薦委員, Society - Jun. 2015 - Jun. 2017
生物物理学会, 理事・代議員, Society - Apr. 2015 - Mar. 2016
科学技術調査資料作成委託事業「数学・数理科学を活用した異分野融合研究の動向調査(代表者:国立大学法人東北大学知の創出センター)」, 協力機関責任者, Society - Mar. 2014 - Feb. 2016
日本化学会北海道支部支部, 役員(幹事), Society - Jan. 2014 - Jun. 2015
生物物理学会, 代議員, Society - Apr. 2009 - Mar. 2012
(財)国際高等研究所「諸科学の共通言語としての数学の発掘と数理科学への展開(高橋陽一郎<京都大学数理解析研究所教授>委員長)」, 研究会委員, Society - Jan. 2007 - Dec. 2008
生物物理学会, 学会誌編集委員, Society - Jan. 2006 - Dec. 2008
The Telluride science research center, Board of directors, Society
Research activity information
■ Awards- Sep. 2021, FACSS SciX2021, Finalist of FACSS Innovation award
On-the-fly Raman image microscopy by reinforcement machine learning
Tamiki Komatsuzaki;Koji Tabata;Hiroyuki Kawagoe;James Nicholas Taylor;Kentaro Mochizuki;Toshiki Kubo;Jean-Emmanuel Clement;Yasuaki Kumamoto;Atsuyoshi Nakamura;Yoshinori Harada;Katsumasa Fujita, 12175855 - 2014, 科研費審査員表彰
小松崎 民樹 - 2012, Bulletin of the Chemical Society of Japan (BCSJ), Award
KOMATSUZAKI TAMIKI - 2010, Human Frontier Science Program (HFSP), Grant Award
KOMATSUZAKI TAMIKI
- Collective surfing of single cells on a chemo-attractant wave using multiscale Eulerian velocity vector field
Sulimon Sattari; Md. Motaleb Hossain; Udoy S. Basak; Mikito Toda; Takeharu Nagai; Satoshi Sawai; Kazuki Horikawa; Tamiki Komatsuzaki
Scientific Reports, 18 Jul. 2026
Scientific journal - Rigor of Exact Lumping: Tailoring Multiscale Rate Equations to an Observation Timescale
Yutaka NAGAHATA; Masato KOBAYASHI; Mikito TODA; Satoshi MAEDA; Tetsuya TAKETSUGU; Tamiki KOMATSUZAKI
Journal of Computer Chemistry, Japan, 25, 1, 41, 44, Society of Computer Chemistry Japan, Jul. 2026, [Peer-reviewed]
English, Scientific journal - Risk-Averse Best Arm Set Identification with Fixed Budget and Fixed Confidence
Shunta Nonaga; Koji Tabata; Yuta Mizuno; Tamiki Komatsuzaki
The 17th Asian Conference on Machine Learning 2025, in Proceedings of Machine Learning Research, 304, 1182, 1197, 2026
English, International conference proceedings - Integrating spatial and chemical information enhances differentiation of non-alcoholic steatohepatitis states in Raman imaging.
Ryoya Kondo; Yuta Mizuno; Kentaro Mochizuki; Kosuke Hashimoto; Jean-Emmanuel Clément; Yasuaki Kumamoto; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
Scientific reports, 15, 1, 35216, 35216, 13 Oct. 2025, [International Magazine]
English, Scientific journal, Machine learning studies for Raman imaging have addressed the differentiability of normal and diseased states in biomedical applications by grouping a set of Raman spectra in terms of spectral similarity over the sample. However, Raman imaging provides both chemical information relevant to the underlying chemical species and their spatial distribution across the biological samples. Utilizing both the chemical and spatial information may further discriminate the sample states more than just using the spectral similarity free from the spatial structure. Here, we develop a Raman image analysis method integrating spatial and chemical information. The crux of our method is to introduce a measure to quantify spatial heterogeneity among Raman spectra at each pixel, and to classify Raman images using information theory, based not directly on the Raman spectra themselves at individual pixels but on the spatial heterogeneity in the spectral space over the surroundings. In this paper, we applied the method to a set of liver tissues dissected from non-alcoholic fatty liver disease (NAFLD) rat model, each of which is pathologically classified into normal, nonalcoholic fatty liver (NAFL) and non-alcoholic steatohepatitis (NASH), respectively. We show how the pathologically-identified liver states can be further classified using chemical information, and both chemical and spatial information. All NASH tissues that are belonging to a same cluster in spectral similarity are found to be further divided into substates that correlate the progression of the NAFLD disease, and subtle contamination of bloods that often prevents from appropriate pathological judgments. The potential of a use of both chemical and spatial information in Raman imaging is expected to enhance the differentiability of disease states of biological samples. - Detecting existence of a hidden mediator between a pair of individual time series.
M Mohiuddin; Udoy S Basak; Md Motaleb Hossain; Sulimon Sattari; Mikito Toda; Tamiki Komatsuzaki
Scientific reports, 15, 1, 21610, 21610, 01 Jul. 2025, [Peer-reviewed], [Internationally co-authored], [International Magazine]
English, Scientific journal, Collective behaviors in groups emerge from complex webs of direct and indirect interactions among individuals. While pairwise interactions are fundamental to understanding group dynamics, each agent's historical trajectory confounds causal inference, making it challenging to disentangle direct interactions from those mediated by hidden intermediaries. Here, we address the question: given observational tracking data from only a single pair of agents, can we determine whether their interaction is direct or mediated by an unseen third agent? We propose a framework based on modified transfer entropy analysis across delay times to detect the presence of a hidden intermediary. Our approach reveals a distinct signature: direct interactions exhibit a consistently decreasing modified transfer entropy with increasing delay time, whereas indirect interactions deviate from this trend. This method provides a simple yet versatile tool for uncovering hidden structures in complex systems, with broad implications for networked dynamics in biological, social, and artificial systems. - Beyond the Nucleus: Cytoplasmic Dominance in Follicular Thyroid Carcinoma Detection Using Single-Cell Raman Imaging across Multiple Devices
Aurelien Pelissier; Kosuke Hashimoto; Kentaro Mochizuki; J. Nicholas Taylor; Jean-Emmanuel Clément; Yasuaki Kumamoto; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
Analytical Chemistry, 01 Jul. 2025, [Peer-reviewed], [Internationally co-authored], [International Magazine]
English, Scientific journal - Risk-Averse Best Arm Set Identification with Fixed Budget and Fixed Confidence.
Shunta Nonaga; Koji Tabata; Yuta Mizuno; Tamiki Komatsuzaki
CoRR, abs/2506.22253, Jun. 2025, [Peer-reviewed], [International Magazine]
Decision making under uncertain environments in the maximization of expected
reward while minimizing its risk is one of the ubiquitous problems in many
subjects. Here, we introduce a novel problem setting in stochastic bandit
optimization that jointly addresses two critical aspects of decision-making:
maximizing expected reward and minimizing associated uncertainty, quantified
via the mean-variance(MV) criterion. Unlike traditional bandit formulations
that focus solely on expected returns, our objective is to efficiently and
accurately identify the Pareto-optimal set of arms that strikes the best
trade-off between expected performance and risk. We propose a unified
meta-algorithmic framework capable of operating under both fixed-confidence and
fixed-budget regimes, achieved through adaptive design of confidence intervals
tailored to each scenario using the same sample exploration strategy. We
provide theoretical guarantees on the correctness of the returned solutions in
both settings. To complement this theoretical analysis, we conduct extensive
empirical evaluations across synthetic benchmarks, demonstrating that our
approach outperforms existing methods in terms of both accuracy and sample
efficiency, highlighting its broad applicability to risk-aware decision-making
tasks in uncertain environments. - Comparative Analysis of Reinforcement Learning Algorithms for Finding Reaction Pathways: Insights from a Large Benchmark Data Set
Yoshihiro Matsumura; Koji Tabata; Tamiki Komatsuzaki
Journal of Chemical Theory and Computation, 21, 7, 3523, 3535, 08 Apr. 2025, [Peer-reviewed], [International Magazine]
English, Scientific journal, The identification of kinetically feasible reaction pathways that connect a reactant to its product, including numerous intermediates and transition states, is crucial for predicting chemical reactions and elucidating reaction mechanisms. However, as molecular systems become increasingly complex or larger, the number of local minimum structures and transition states grows, which makes this task challenging, even with advanced computational approaches. We introduced a reinforcement learning algorithm to efficiently identify a kinetically feasible reaction pathway between a given local minimum structure for the reactant and a given one for the product, starting from the reactant. The performance of the algorithm was validated using a benchmark data set of large-scale chemical reaction path networks. Several search policies were proposed, using metrics based on energetic or structural similarity to the product's goal structure, for each local minimum structure candidate found during the search. The performances of baseline greedy, random, and uniform search policies varied substantially depending on the system. In contrast, exploration-exploitation balanced policies such as Thompson sampling, probability of improvement, and expected improvement consistently demonstrated stable and high performance. Furthermore, we characterized the search mechanisms that depend on different policies in detail. This study also addressed potential avenues for further research, such as hierarchical reinforcement learning and multiobjective optimization, which could deepen the problem setting explored in this study. - Enumeration Approach to Atom-to-Atom Mapping Accelerated by Ising Computing
Mohammad Ali; Yuta Mizuno; Seiji Akiyama; Yuuya Nagata; Tamiki Komatsuzaki
Journal of Chemical Information and Modeling, 65, 4, 1901, 1910, 02 Feb. 2025, [Peer-reviewed], [International Magazine]
English, Scientific journal, Chemical reactions are regarded as transformations of chemical structures, and the question of which atoms in the reactants correspond to which atoms in the products has attracted chemists for a long time. Atom-to-atom mapping (AAM) is a procedure that establishes such correspondence(s) between the atoms of reactants and products in a chemical reaction. Currently, automatic AAM tools play a pivotal role in various chemoinformatics tasks. However, achieving accurate automatic AAM for complex or unknown reactions within a reasonable computation time remains a significant challenge due to the combinatorial nature of the problem and the difficulty in applying appropriate reaction rules. In this study, we propose a rule-free AAM algorithm, which enumerates all atom-to-atom correspondences that minimize the number of bond cleavages and formations during the reaction. To reduce the computational burden associated with the combinatorial optimization (i.e., minimizing bond changes), we introduce Ising computing, a computing paradigm that has gained significant attention for its efficiency in solving hard combinatorial optimization problems. We found that our Ising computing framework outperforms conventional combinatorial optimization algorithms in terms of computation times, making it feasible to solve the AAM problem without reaction rules in an acceptable time. Furthermore, our AAM algorithm successfully found the correct AAM solution for all problems in a benchmark data set. In contrast, conventional AAM algorithms based on chemical heuristics failed for several problems. Specifically, these algorithms either failed to find the optimal solution in terms of bond changes, or they identified only one optimal solution, which was incorrect when multiple optimal solutions exist. These results emphasize the importance of enumerating all optimal correspondences that minimize bond changes, which is effectively achieved by our Ising-computing framework. - Serendipity Engineering with Photonics: Harnessing the Unexpected in Biology and Medicine
Kelvin C. M. Lee; Walker Peterson; Fabio Lisi; Tianben Ding; Kotaro Nojima; Hiroshi Kanno; Yuqi Zhou; Hiroyuki Matsumura; Yasutaka Kitahama; Ming Li; Petra Paie; Cheng Lei; Tamiki Komatsuzaki; Masahiro Sonoshita; Dino Di Carlo; Keisuke Goda
PROGRESS IN ELECTROMAGNETICS RESEARCH-PIER, 184, 14, 23, 2025
English, Scientific journal - Low-dimensional projection of reactivity classes in chemical reaction dynamics using supervised dimensionality reduction.
Ryoichi Tanaka; Yuta Mizuno; Takuro Tsutsumi; Mikito Toda; Tetsuya Taketsugu; Tamiki Komatsuzaki
The Journal of chemical physics, 161, 15, 21 Oct. 2024, [Peer-reviewed], [International Magazine]
English, Scientific journal, Transition state theory (TST) provides a framework to estimate the rate of chemical reactions. Despite its great success with many reaction systems, the underlying assumptions such as local equilibrium and nonrecrossing do not necessarily hold in all cases. Although dynamical systems theory can provide the mathematical foundation of reaction tubes existing in phase space that enables us to predict the fate of reactions free from the assumptions of TST, numerical demonstrations for large systems have been yet one of the challenges. Here, we propose a dimensionality reduction algorithm to demonstrate structures in phase space (called reactive islands) that predict reactivity in systems with many degrees of freedom. The core of this method is the application of supervised principal component analysis, where a coordinate transformation is performed to preserve the dynamical information on reactivity (i.e., to which potential basin the system moves from a region of interest) as much as possible. The reactive island structures are expected to be reflected in the transformed, low-dimensional phase space. As an illustrative example, the algorithm is scrutinized using a modified Hénon-Heiles Hamiltonian system extended to many degrees of freedom, which has three channels leading to three different products from one stable potential basin. It is shown that our algorithm can predict the reactivity in the transformed, low-dimensional coordinate system better than a naïve coordinate system and that the reactivity distribution in the transformed low-dimensional space is considered to reflect the underlying reactive islands. - An attempt of Seibutsu-Butsuri in Kyoto IUPAB Congress 2024.
Tamiki Komatsuzaki
Biophysical reviews, 16, 5, 509, 510, Oct. 2024, [Peer-reviewed], [International Magazine]
English, Scientific journal, In Kyoto IUPAB Congress, a Japanese bimonthly magazine of biophysics, Seibutsu-Butsuri, organized a round table, with an online English journal of Biophysics and Physicobiology, to discuss the possible future of biophysics by gathering seven prominent researchers who participated in the congress. The content will be published both in Japanese and English in the two journals, which is expected to stimulate our next generation researchers in biophysics over the world. - Multi-armed bandit algorithm for sequential experiments of molecular properties with dynamic feature selection.
Md Menhazul Abedin; Koji Tabata; Yoshihiro Matsumura; Tamiki Komatsuzaki
The Journal of chemical physics, 161, 1, 07 Jul. 2024, [Peer-reviewed], [International Magazine]
English, Scientific journal, Sequential optimization is one of the promising approaches in identifying the optimal candidate(s) (molecules, reactants, drugs, etc.) with desired properties (reaction yield, selectivity, efficacy, etc.) from a large set of potential candidates, while minimizing the number of experiments required. However, the high dimensionality of the feature space (e.g., molecular descriptors) makes it often difficult to utilize the relevant features during the process of updating the set of candidates to be examined. In this article, we developed a new sequential optimization algorithm for molecular problems based on reinforcement learning, multi-armed linear bandit framework, and online, dynamic feature selections in which relevant molecular descriptors are updated along with the experiments. We also designed a stopping condition aimed to guarantee the reliability of the chosen candidate from the dataset pool. The developed algorithm was examined by comparing with Bayesian optimization (BO), using two synthetic datasets and two real datasets in which one dataset includes hydration free energy of molecules and another one includes a free energy difference between enantiomer products in chemical reaction. We found that the dynamic feature selection in representing the desired properties along the experiments provides a better performance (e.g., time required to find the best candidate and stop the experiment) as the overall trend and that our multi-armed linear bandit approach with a dynamic feature selection scheme outperforms the standard BO with fixed feature variables. The comparison of our algorithm to BO with dynamic feature selection is also addressed. - An encompassed representation of timescale hierarchies in first-order reaction network.
Yutaka Nagahata; Masato Kobayashi; Mikito Toda; Satoshi Maeda; Tetsuya Taketsugu; Tamiki Komatsuzaki
Proceedings of the National Academy of Sciences of the United States of America, 121, 21, e2317781121, 21 May 2024, [Peer-reviewed], [International Magazine]
English, Scientific journal, Complex networks are pervasive in various fields such as chemistry, biology, and sociology. In chemistry, first-order reaction networks are represented by a set of first-order differential equations, which can be constructed from the underlying energy landscape. However, as the number of nodes increases, it becomes more challenging to understand complex kinetics across different timescales. Hence, how to construct an interpretable, coarse-graining scheme that preserves the underlying timescales of overall reactions is of crucial importance. Here, we develop a scheme to capture the underlying hierarchical subsets of nodes, and a series of coarse-grained (reduced-dimensional) rate equations between the subsets as a function of time resolution from the original reaction network. Each of the coarse-grained representations guarantees to preserve the underlying slow characteristic timescales in the original network. The crux is the construction of a lumping scheme incorporating a similarity measure in deciphering the underlying timescale hierarchy, which does not rely on the assumption of equilibrium. As an illustrative example, we apply the scheme to four-state Markovian models and Claisen rearrangement of allyl vinyl ether (AVE), and demonstrate that the reduced-dimensional representation accurately reproduces not only the slowest but also the faster timescales of overall reactions although other reduction schemes based on equilibrium assumption well reproduce the slowest timescale but fail to reproduce the second-to-fourth slowest timescales with the same accuracy. Our scheme can be applied not only to the reaction networks but also to networks in other fields, which helps us encompass their hierarchical structures of the complex kinetics over timescales. - Flow zoometry of Drosophila
Walker Peterson; Joshua Arenson; Soichiro Hata; Laura Kacenauskaite; Tsubasa Kobayashi; Takuya Otsuka; Hanqing Wang; Yayoi Wada; Kotaro Hiramatsu; Zhikai He; Jean-Emmanuel Clement; Chenqi Zhang; Chenglang Hu; Phillip McCann; Hayato Kanazawa; Yuzuki Nagasaka; Hiroyuki Uechi; Yuh Watanabe; Ryodai Yamamura; Mika Hayashi; Yuta Nakagawa; Kangrui Huang; Hiroshi Kanno; Yuqi Zhou; Tianben Ding; Maik Herbig; Shimpei Makino; Shunta Nonaga; Ryosuke Takami; Oguz Kanca; Koji Tabata; Satoshi Amaya; Kotaro Furusawa; Kenichi Ishii; Kazuo Emoto; Fumihito Arai; Ross Cagan; Dino Di Carlo; Tatsushi Igaki; Erina Kuranaga; Shinya Yamamoto; Hugo J Bellen; Tamiki Komatsuzaki; Masahiro Sonoshita; Keisuke Goda
Cold Spring Harbor Laboratory, 05 Apr. 2024, [Peer-reviewed]
ABSTRACT
Drosophilaserves as a highly valuable model organism across numerous fields including genetics, immunology, neuroscience, cancer biology, and developmental biology. Central toDrosophila-based biological research is the ability to perform comprehensive genetic or chemical screens. However, this research is often limited by its dependence on laborious manual handling and analysis, making it prone to human error and difficult to discern statistically significant or rare events amid the noise of individual variations resulting from genetic and environmental factors. In this article we present flow zoometry, a whole-animal equivalent of flow cytometry for large-scale, individual-level, high-content screening ofDrosophila. Our flow zoometer automatically clears the tissues ofDrosophila melanogaster, captures three-dimensional (3D) multi-color fluorescence tomograms of single flies with single-cell volumetric resolution at an unprecedented throughput of over 1,000 animals within 48 hours (24 hr for clearing; 24 hr for imaging), and performs AI-enhanced data-driven analysis – a task that would traditionally take months or years with manual techniques. To demonstrate its broad applications, we employed the flow zoometer in various laborious screening assays, including those in toxicology, genotyping, and tumor screening. Flow zoometry represents a pivotal evolution in high-throughput screening technology: previously from molecules to cells, now from cells to whole animals. This advancement serves as a foundational platform for “statistical spatial biology”, to improve empirical precision and enable serendipitous discoveries across various fields of biology. - On-the-fly Raman microscopy guaranteeing the accuracy of discrimination.
Koji Tabata; Hiroyuki Kawagoe; J Nicholas Taylor; Kentaro Mochizuki; Toshiki Kubo; Jean-Emmanuel Clement; Yasuaki Kumamoto; Yoshinori Harada; Atsuyoshi Nakamura; Katsumasa Fujita; Tamiki Komatsuzaki
Proceedings of the National Academy of Sciences of the United States of America, 121, 12, e2304866121, 19 Mar. 2024, [Peer-reviewed], [Internationally co-authored], [International Magazine]
English, Scientific journal - Subdomain dynamics enable chemical chain reactions in non-ribosomal peptide synthetases.
Xun Sun; Jonas Alfermann; Hao Li; Maxwell B Watkins; Yi-Tsao Chen; Thomas E Morrell; Florian Mayerthaler; Chia-Ying Wang; Tamiki Komatsuzaki; Jhih-Wei Chu; Nozomi Ando; Henning D Mootz; Haw Yang
Nature chemistry, 16, 2, 259, 268, Feb. 2024, [Peer-reviewed], [Internationally co-authored], [International Magazine]
English, Scientific journal, Many peptide-derived natural products are produced by non-ribosomal peptide synthetases (NRPSs) in an assembly-line fashion. Each amino acid is coupled to a designated peptidyl carrier protein (PCP) through two distinct reactions catalysed sequentially by the single active site of the adenylation domain (A-domain). Accumulating evidence suggests that large-amplitude structural changes occur in different NRPS states; yet how these molecular machines orchestrate such biochemical sequences has remained elusive. Here, using single-molecule Förster resonance energy transfer, we show that the A-domain of gramicidin S synthetase I adopts structurally extended and functionally obligatory conformations for alternating between adenylation and thioester-formation structures during enzymatic cycles. Complementary biochemical, computational and small-angle X-ray scattering studies reveal interconversion among these three conformations as intrinsic and hierarchical where intra-A-domain organizations propagate to remodel inter-A-PCP didomain configurations during catalysis. The tight kinetic coupling between structural transitions and enzymatic transformations is quantified, and how the gramicidin S synthetase I A-domain utilizes its inherent conformational dynamics to drive directional biosynthesis with a flexibly linked PCP domain is revealed. - Inferring Direct and Indirect Interactions in Collective Motion from a Pair of Individual Time Series
M. Mohiuddin; Udoy S. Basak; Md. Motaleb Hossain; Sulimon Sattari; Mikito Toda; Tamiki Komatsuzaki
2024 - On-the-fly Raman microscopy guaranteeing the accuracy of discrimination
Tamiki Komatsuzaki
BIOMEDICAL SPECTROSCOPY, MICROSCOPY, AND IMAGING III, 13006, 2024, [Peer-reviewed], [International Magazine]
English, International conference proceedings - A round table at IUPAB Congress in Kyoto 2024: Dreaming the next 50 years in our biophysics
Kumiko Hayashi; Gerhard Hummer; Jerelle A. Joseph; Rong Li; Takeharu Nagai; Shuichi Onami; Feng Zhang; Akira Kitamura; Yuichi Togashi; Akira Kakugo; Ikuko Fujiwara; Tamiki Komatsuzaki
Biophysics and Physicobiology, 21, Supplemental2, n/a, n/a, Biophysical Society of Japan, 2024, [Peer-reviewed], [Internationally co-authored], [International Magazine]
Scientific journal - Gaussian process classification bandits.
Tatsuya Hayashi; Naoki Ito; Koji Tabata; Atsuyoshi Nakamura; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
Pattern Recognit., 149, 110224, 110224, 2024, [Peer-reviewed], [Internationally co-authored], [International Magazine]
Scientific journal - Inferring the roles of individuals in collective systems using information-theoretic measures of influence.
Sulimon Sattari; Udoy S Basak; M Mohiuddin; Mikito Toda; Tamiki Komatsuzaki
Biophysics and physicobiology, 21, Supplemental, e211014, 2024, [Peer-reviewed], [Internationally co-authored], [International Magazine]
English, Scientific journal, In collective systems, influence of individuals can permeate an entire group through indirect interactionscom-plicating any scheme to understand individual roles from observations. A typical approach to understand an individuals influence on another involves consideration of confounding factors, for example, by conditioning on other individuals outside of the pair. This becomes unfeasible in many cases as the number of individuals increases. In this article, we review some of the unforeseen problems that arise in understanding individual influence in a collective such as single cells, as well as some of the recent works which address these issues using tools from information theory. - Correction for Extrinsic Background in Raman Hyperspectral Images.
J Nicholas Taylor; Aurélien Pélissier; Kentaro Mochizuki; Kosuke Hashimoto; Yasuaki Kumamoto; Yoshinori Harada; Katsumasa Fujita; Thomas Bocklitz; Tamiki Komatsuzaki
Analytical chemistry, 10 Aug. 2023, [Peer-reviewed], [Internationally co-authored], [International Magazine]
English, Scientific journal, Raman hyperspectral microscopy is a valuable tool in biological and biomedical imaging. Because Raman scattering is often weak in comparison to other phenomena, prevalent spectral fluctuations and contaminations have brought advancements in analytical and chemometric methods for Raman spectra. These chemometric advances have been key contributors to the applicability of Raman imaging to biological systems. As studies increase in scale, spectral contamination from extrinsic background, intensity from sources such as the optical components that are extrinsic to the sample of interest, has become an emerging issue. Although existing baseline correction schemes often reduce intrinsic background such as autofluorescence originating from the sample of interest, extrinsic background is not explicitly considered, and these methods often fail to reduce its effects. Here, we show that extrinsic background can significantly affect a classification model using Raman images, yielding misleadingly high accuracies in the distinction of benign and malignant samples of follicular thyroid cell lines. To mitigate its effects, we develop extrinsic background correction (EBC) and demonstrate its use in combination with existing methods on Raman hyperspectral images. EBC isolates regions containing the smallest amounts of sample materials that retain extrinsic contributions that are specific to the device or environment. We perform classification both with and without the use of EBC, and we find that EBC retains biological characteristics in the spectra while significantly reducing extrinsic background. As the methodology used in EBC is not specific to Raman spectra, correction of extrinsic effects in other types of hyperspectral and grayscale images is also possible. - Comparison of particle image velocimetry and the underlying agents dynamics in collectively moving self propelled particles.
Udoy S Basak; Sulimon Sattari; Md Motaleb Hossain; Kazuki Horikawa; Mikito Toda; Tamiki Komatsuzaki
Scientific reports, 13, 1, 12566, 12566, 02 Aug. 2023, [Peer-reviewed], [Internationally co-authored], [International Magazine]
English, Scientific journal, Collective migration of cells is a fundamental behavior in biology. For the quantitative understanding of collective cell migration, live-cell imaging techniques have been used using e.g., phase contrast or fluorescence images. Particle tracking velocimetry (PTV) is a common recipe to quantify cell motility with those image data. However, the precise tracking of cells is not always feasible. Particle image velocimetry (PIV) is an alternative to PTV, corresponding to Eulerian picture of fluid dynamics, which derives the average velocity vector of an aggregate of cells. However, the accuracy of PIV in capturing the underlying cell motility and what values of the parameters should be chosen is not necessarily well characterized, especially for cells that do not adhere to a viscous flow. Here, we investigate the accuracy of PIV by generating images of simulated cells by the Vicsek model using trajectory data of agents at different noise levels. It was found, using an alignment score, that the direction of the PIV vectors coincides with the direction of nearby agents with appropriate choices of PIV parameters. PIV is found to accurately measure the underlying motion of individual agents for a wide range of noise level, and its condition is addressed. - Differentiability of cell types enhanced by detrending a non-homogeneous pattern in a line-illumination Raman microscope.
Abdul Halim Bhuiyan; Jean-Emmanuel Clément; Zannatul Ferdous; Kentaro Mochizuki; Koji Tabata; James Nicholas Taylor; Yasuaki Kumamoto; Yoshinori Harada; Thomas Bocklitz; Katsumasa Fujita; Tamiki Komatsuzaki
The Analyst, 148, 15, 3574, 3583, 26 Jul. 2023, [Peer-reviewed], [Internationally co-authored], [International Magazine]
English, Scientific journal, A line illumination Raman microscope extracts the underlying spatial and spectral information of a sample, typically a few hundred times faster than raster scanning. This makes it possible to measure a wide range of biological samples such as cells and tissues - that only allow modest intensity illumination to prevent potential damage - within feasible time frame. However, a non-uniform intensity distribution of laser line illumination may induce some artifacts in the data and lower the accuracy of machine learning models trained to predict sample class membership. Here, using cancerous and normal human thyroid follicular epithelial cell lines, FTC-133 and Nthy-ori 3-1 lines, whose Raman spectral difference is not so large, we show that the standard pre-processing of spectral analyses widely used for raster scanning microscopes introduced some artifacts. To address this issue, we proposed a detrending scheme based on random forest regression, a nonparametric model-free machine learning algorithm, combined with a position-dependent wavenumber calibration scheme along the illumination line. It was shown that the detrending scheme minimizes the artifactual biases arising from non-uniform laser sources and significantly enhances the differentiability of the sample states, i.e., cancerous or normal epithelial cells, compared to the standard pre-processing scheme. - Raman imaging of rat nonalcoholic fatty liver tissues reveals distinct biomolecular states.
Khalifa Mohammad Helal; Harsono Cahyadi; J Nicholas Taylor; Akira Okajima; Koji Tabata; Yasuaki Kumamoto; Kentaro Mochizuki; Yoshito Itoh; Tetsuro Takamatsu; Hideo Tanaka; Katsumasa Fujita; Tamiki Komatsuzaki; Yoshinori Harada
FEBS letters, 597, 11, 1517, 1527, Wiley, Jun. 2023, [Peer-reviewed], [Internationally co-authored], [International Magazine]
English, Scientific journal, An essential challenge in diagnosing states of nonalcoholic fatty liver disease (NAFLD) is the early prediction of progression from nonalcoholic fatty liver (NAFL) to nonalcoholic steatohepatitis (NASH) before the disease progresses. Histological diagnoses of NAFLD rely on the appearance of anomalous tissue morphologies, and it is difficult to segment the biomolecular environment of the tissue through a conventional histopathological approach. Here, we show that hyperspectral Raman imaging provides diagnostic information on NAFLD in rats, as spectral changes among disease states can be detected before histological characteristics emerge. Our results demonstrate that Raman imaging of NAFLD can be a useful tool for histopathologists, offering biomolecular distinctions among tissue states that cannot be observed through standard histopathological means. - NMR spectrum prediction for dynamic molecules by machine learning: A case study of trefoil knot molecule.
Mikhail Tsitsvero; Jenny Pirillo; Yuh Hijikata; Tamiki Komatsuzaki
The Journal of chemical physics, 158, 19, 21 May 2023, [Peer-reviewed], [International Magazine]
English, Scientific journal, Nuclear magnetic resonance (NMR) spectroscopy is one of the indispensable techniques in chemistry because it enables us to obtain accurate information on the chemical, electronic, and dynamic properties of molecules. Computational simulation of the NMR spectra requires time-consuming density functional theory (DFT) calculations for an ensemble of molecular conformations. For large flexible molecules, it is considered too high-cost since it requires time-averaging of the instantaneous chemical shifts of each nuclear spin across the conformational space of molecules for NMR timescales. Here, we present a Gaussian process/deep kernel learning-based machine learning (ML) method for enabling us to predict, average in time, and analyze the instantaneous chemical shifts of conformations in the molecular dynamics trajectory. We demonstrate the use of the method by computing the averaged 1H and 13C chemical shifts of each nuclear spin of a trefoil knot molecule consisting of 24 para-connected benzene rings (240 atoms). By training ML model with the chemical shift data obtained from DFT calculations, we predicted chemical shifts for each conformation during dynamics. We were able to observe the merging of the time-averaged chemical shifts of each nuclear spin in a singlet 1H NMR peak and two 13C NMR peaks for the knot molecule, in agreement with experimental measurements. The unique feature of the presented method is the use of the learned low-dimensional deep kernel representation of local spin environments for comparing and analyzing the local chemical environment histories of spins during dynamics. It allowed us to identify two groups of protons in the knot molecule, which implies that the observed singlet 1H NMR peak could be composed of the contributions from protons with two distinct local chemical environments. - 単調増加制約のあるレベルセット推定
田畑 公次; 中村 篤祥; 高見 亮佑; Joshua Arenson; 和田 弥生; Walker Peterson; 合田 圭介; 園下 将大; 小松崎 民樹
人工知能学会研究会資料 人工知能基本問題研究会, 124, 25, 30, 一般社団法人 人工知能学会, 06 Mar. 2023
Japanese, Symposium - Posterior Tracking Algorithm for Classification Bandits.
Koji Tabata; Junpei Komiyama; Atsuyoshi Nakamura; Tamiki Komatsuzaki
International Conference on Artificial Intelligence and Statistics(AISTATS), 10994, 11022, PMLR, 2023, [Peer-reviewed]
International conference proceedings - On-the-fly Raman microscopy guaranteeing the accuracy of diagnosis by reinforcement learning
Tamiki Komatsuzaki
Progress in Biomedical Optics and Imaging - Proceedings of SPIE, 12390, 2023, [Peer-reviewed]
International conference proceedings - Geometrical analysis identified morphological features of hydrogel-induced cancer stem cells in synovial sarcoma model cells.
Zannatul Ferdous; Jean-Emmanuel Clément; Jian Ping Gong; Shinya Tanaka; Tamiki Komatsuzaki; Masumi Tsuda
Biochemical and biophysical research communications, 642, 41, 49, 14 Dec. 2022, [Peer-reviewed], [International Magazine]
English, Scientific journal, Cancer stem cells (CSCs) has been a key target to cure cancer patients completely. Although many CSC markers have been identified, they are frequently cancer type-specific and those expressions are occasionally variable, which becomes an obstacle to elucidate the characteristics of the CSCs. Here we scrutinized the relationship between stemness elevation and geometrical features of single cells. The PAMPS hydrogel was utilized to create the CSCs from mouse myoblast C2C12 and its synovial sarcoma model cells. qRT-PCR analysis confirmed the significant increase in expression levels of Sox2, Nanog, and Oct3/4 on the PAMPS gel, which was higher in the synovial sarcoma model cells. Of note, the morphological heterogeneity was appeared on the PAMPS gel, mainly including flat spreading, elongated spindle, and small round cells, and the Sox2 expression was highest in the small round cells. To examine the role of morphological differences in the elevation of stemness, over 6,400 cells were segmented along with the Sox2 intensity, and 12 geometrical features were extracted at single cell level. A nonlinear mapping of the geometrical features by using uniform manifold approximation and projection (UMAP) clearly revealed the existence of relationship between morphological differences and the stemness elevation, especially for C2C12 and its synovial sarcoma model on the PAMPS gel in which the small round cells possess relatively high Sox2 expression on the PAMPS gel, which supports the strong relationship between morphological changes and the stemness elevation. Taken together, these geometrical features can be useful for morphological profiling of CSCs to classify and distinguish them for understanding of their role in disease progression and drug discovery. - Lipid droplet accumulation and adipophilin expression in follicular thyroid carcinoma.
Michiyo Hayakawa; J Nicholas Taylor; Ryuta Nakao; Kentaro Mochizuki; Yuki Sawai; Kosuke Hashimoto; Koji Tabata; Yasuaki Kumamoto; Katsumasa Fujita; Eiichi Konishi; Shigeru Hirano; Hideo Tanaka; Tamiki Komatsuzaki; Yoshinori Harada
Biochemical and biophysical research communications, 640, 192, 201, 05 Dec. 2022, [Peer-reviewed], [International Magazine]
English, Scientific journal, Follicular neoplasms of the thyroid include follicular thyroid carcinoma (FTC) and follicular thyroid adenoma (FTA). However, the differences in cytological findings between FTC and FTA remain undetermined. Here, we aimed to evaluate the accumulation of lipid droplets (LDs) and the expression of adipophilin (perilipin 2/ADRP/ADFP), a known LD marker, in cultured FTC cells. We also immunohistochemically compared adipophilin expression in the FTC and FTA of resected human thyroid tissues. Cultured FTC (FTC-133 and RO82W-1) possessed increased populations of LDs compared to thyroid follicular epithelial (Nthy-ori 3-1) cells. In vitro treatment with phosphatidylinositol-3-kinase (PI3K)/Akt/mammalian target of rapamycin (mTOR) signaling inhibitors (LY294002, MK2206, and rapamycin) in FTC-133 cells downregulated the PI3K/Akt/mTOR/sterol regulatory element-binding protein 1 (SREBP1) signaling pathway, resulting in a significant reduction in LD accumulation. SREBP1 is a master transcription factor that controls lipid metabolism. Fluorescence immunocytochemistry revealed adipophilin expression in the LDs of FTC-133 cells. Immunohistochemical analysis of surgically resected human thyroid tissues revealed significantly increased expression of adipophilin in FTC compared with FTA and adjacent non-tumorous thyroid epithelia. Taken together, LDs and adipophilin were abundant in cultured FTC; the evaluation of adipophilin expression can help distinguish FTC from FTA in surgical specimens. - ERK MAP Kinase Signaling Regulates RAR Signaling to Confer Retinoid Resistance on Breast Cancer Cells.
Akira Hirota; Jean-Emmanuel Clément; Satoshi Tanikawa; Takayuki Nonoyama; Tamiki Komatsuzaki; Jian Ping Gong; Shinya Tanaka; Masamichi Imajo
Cancers, 14, 23, 29 Nov. 2022, [Peer-reviewed], [International Magazine]
English, Scientific journal, Retinoic acid (RA) and its synthetic derivatives, retinoids, have been established as promising anticancer agents based on their ability to regulate cell proliferation and survival. Clinical trials, however, have revealed that cancer cells often acquire resistance to retinoid therapy. Therefore, elucidation of underlying mechanisms of retinoid resistance has been considered key to developing more effective use of retinoids in cancer treatment. In this study, we show that constitutive activation of ERK MAP kinase signaling, which is often caused by oncogenic mutations in RAS or RAF genes, suppresses RA receptor (RAR) signaling in breast cancer cells. We show that activation of the ERK pathway suppresses, whereas its inhibition promotes, RA-induced transcriptional activation of RAR and the resultant upregulation of RAR-target genes in breast cancer cells. Importantly, ERK inhibition potentiates the tumor-suppressive activity of RA in breast cancer cells. Moreover, we also reveal that suppression of RAR signaling and activation of ERK signaling are associated with poor prognoses in breast cancer patients and represent hallmarks of specific subtypes of breast cancers, such as basal-like, HER2-enriched and luminal B. These results indicate that ERK-dependent suppression of RAR activity underlies retinoid resistance and is associated with cancer subtypes and patient prognosis in breast cancers. - Modes of information flow in collective cohesion
Sulimon Sattari; Udoy S. Basak; Ryan G. James; Louis W. Perrin; James P. Crutchfield; Tamiki Komatsuzaki
SCIENCE ADVANCES, 8, 6, Feb. 2022, [Peer-reviewed]
English, Scientific journal - Richard Stephen Berry (1931-2020)
Srihari Keshavamurthy; Tamiki Komatsuzaki; David Leitner
RESONANCE-JOURNAL OF SCIENCE EDUCATION, 27, 1, 11, 17, Jan. 2022
English - Phase space geometry of isolated to condensed chemical reactions.
Yutaka Nagahata; Rigoberto Hernandez; Tamiki Komatsuzaki
The Journal of chemical physics, 155, 21, 210901, 210901, 07 Dec. 2021, [Peer-reviewed], [International Magazine]
English, Scientific journal - An algorithm for computing phase space structures in chemical reaction dynamics using Voronoi tessellation
Yuta Mizuno; Mikoto Takigawa; Saki Miyashita; Yutaka Nagahata; Hiroshi Teramoto; Tamiki Komatsuzaki
PHYSICA D-NONLINEAR PHENOMENA, 428, Dec. 2021
English, Scientific journal - Transfer entropy dependent on distance among agents in quantifying leader-follower relationships
Udoy S. Basak; Sulimon Sattari; Motaleb Hossain; Kazuki Horikawa; Tamiki Komatsuzaki
Biophysics and Physicobiology, 18, 131, 144, 15 May 2021, [Peer-reviewed], [Last author], [Domestic magazines]
English, Scientific journal - Minor-embedding heuristics for large-scale annealing processors with sparse hardware graphs of up to 102,400 nodes
Yuya Sugie; Yuki Yoshida; Normann Mertig; Takashi Takemoto; Hiroshi Teramoto; Atsuyoshi Nakamura; Ichigaku Takigawa; Shin-ichi Minato; Masanao Yamaoka; Tamiki Komatsuzaki
SOFT COMPUTING, 25, 3, 1731, 1749, Feb. 2021, [Peer-reviewed]
English, Scientific journal - An information-theoretic approach to infer the underlying interaction domain among elements from finite length trajectories in a noisy environment
Udoy S. Basak; Sulimon Sattari; Md Motaleb Hossain; Kazuki Horikawa; Tamiki Komatsuzaki
Journal of Chemical Physics, 154, 3, 034901, 034901, 21 Jan. 2021, [Peer-reviewed], [International Magazine]
English, Scientific journal - Multi-objective Spatiotemporal Optimization of Transportation and Power Management by using Multiple Electric Vehicles in Nanogrid Networks
Hiroshi Uchigaito; Mamoru Okamoto; Gleb Astashkin; Yuki Furubayashi; Norihiro Obata; Thantip Krasienapibal; Hiroshi Teramoto; Yuta Mizuno; Masato Kobayashi; Atsuyoshi Nakamura; Tamiki Komatsuzaki; Takashi Takemoto
2021 IEEE ELECTRICAL POWER AND ENERGY CONFERENCE (EPEC), 365, 372, 2021
English, International conference proceedings - Classification Bandits: Classification Using Expected Rewards as Imperfect Discriminators.
Koji Tabata; Atsuyoshi Nakamura; Tamiki Komatsuzaki
Trends and Applications in Knowledge Discovery and Data Mining - PAKDD 2021 Workshops, WSPA, MLMEIN, SDPRA, DARAI, and AI4EPT, 12705, 57, 69, 2021, [Peer-reviewed]
English, Scientific journal - Minimizing customer waiting time with a new delivery-tour planning algorithm based on tour division and dynamic route optimization
Hiroshi Uchigaito; Tomoki Shirai; Yoichi Iwata; Normann Mertig; Yuya Sugie; Tsubasa Oizumi; Hiroshi Teramoto; Atsuyoshi Nakamura; Shin-ichi Minato; Tamiki Komatsuzaki; Takashi Takemoto
he 2020 International Symposium on Nonlinear Theory and Its Applications (NOLTA2020), Nov. 2020, [Peer-reviewed]
English, Scientific journal - Dependence of DNA length on binding affinity between TrpR and trpO of DNA
Nobuo Shimamoto; Mikito Toda; Shigetoshi Nara; Tamiki Komatsuzaki; Kiyoto Kamagata; Takashi Kinebuchi; Jun-ichi Tomizawa
SCIENTIFIC REPORTS, 10, 1, 15624, 15624, Sep. 2020, [Peer-reviewed], [International Magazine]
English, Scientific journal - Inferring domain of interactions among particles from ensemble of trajectories
Udoy S. Basak; Sulimon Sattari; Kazuki Horikawa; Tamiki Komatsuzaki
Physical Review E, 102, 012404, 012404-1, 012404-9, 09 Jul. 2020, [Peer-reviewed], [International Magazine]
English, Scientific journal - Editorial for the Special Issue of Biophysical Reviews focused on the Biophysical Society of Japan with select scientific content from the 57th BSJ annual meeting, Miyazaki, Japan
Tamiki Komatsuzaki; Haruki Nakamura; Jeremy Tame; Saeko Yanaka; Takeharu Nagai; Kuniaki Nagayama
Biophysical Reviews, 12, 2, 183, 185, Apr. 2020, [Peer-reviewed], [International Magazine]
English, Scientific journal - Biophysical research in Hokkaido University, Japan
Tomoyasu Aizawa; Makoto Demura; Kazutoshi Gohara; Hisashi Haga; Koichiro Ishimori; Masataka Kinjo; Tamiki Komatsuzaki; Katsumi Maenaka; Min Yao
Biophysical Reviews, 12, 2, 233, 236, Apr. 2020, [Peer-reviewed], [International Magazine]
English, Scientific journal - A bad arm existence checking problem: How to utilize asymmetric problem structure?
Koji Tabata; Atsuyoshi Nakamura; Junya Honda; Tamiki Komatsuzaki
Machine Learning, 109, 2, 327, 372, 01 Feb. 2020, [Peer-reviewed], [Internationally co-authored]
English, Scientific journal - Application of Singularity Theory to Bifurcation of Band Structures in Crystals
H. Teramoto; A. Tsuchida; K. Kondo; S. Izumiya; M. Toda; T. Komatsuzaki
Journal of Singularities, 21, 289, 302, Journal of Singularities, 2020, [Peer-reviewed]
Scientific journal - Editorial
Munehito Arai; Tamiki Komatsuzaki; Haruki Nakamura
BIOPHYSICS AND PHYSICOBIOLOGY, 17, 155, 155, 2020, [Peer-reviewed], [Domestic magazines]
English, Scientific journal - Classification of Hamiltonians in neighborhoods of band crossings in terms of the theory of singularities (vol 58, 073502, 2017)
Hiroshi Teramoto; Kenji Kondo; Shyuichi Izumiya; Mikito Toda; Tamiki Komatsuzaki
JOURNAL OF MATHEMATICAL PHYSICS, 60, 12, Dec. 2019, [Peer-reviewed]
English, Scientific journal - Raman spectroscopic histology using machine learning for nonalcoholic fatty liver disease
Khalifa Mohammad Helal; James Nicholas Taylor; Harsono Cahyadi; Akira Okajima; Koji Tabata; Yoshito Itoh; Hideo Tanaka; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
FEBS Letters, 593, 18, 2535, 2544, 01 Sep. 2019, [Peer-reviewed], [International Magazine]
English, Scientific journal - Deciphering Molecular Complexity in Dynamics and Kinetics-From the Single Molecule to the Single Cell Level
Tamiki Komatsuzaki; Steve Presse; Patrick Senet
JOURNAL OF PHYSICAL CHEMISTRY B, 123, 30, 6387, 6388, Aug. 2019, [Peer-reviewed], [Internationally co-authored], [International Magazine]
English, Scientific journal - High-Resolution Raman Microscopic Detection of Follicular Thyroid Cancer Cells with Unsupervised Machine Learning
J. Nicholas Taylor; Kentaro Mochizuki; Kosuke Hashimoto; Yasuaki Kumamoto; Yoshinori Harada; Katsumasa Fujita; Tamiki Komatsuzaki
Journal of Physical Chemistry B, 123, 20, 4358, 4372, 23 May 2019, [Peer-reviewed], [International Magazine]
English, Scientific journal - Feature selection as Monte-Carlo Search in Growing Single Rooted Directed Acyclic Graph by Best Leaf Identification
Aurélien Pélissier; Atsuyoshi Nakamura; Koji Tabata
Proceedings of the 2019 SIAM International Conference on Data Mining, 450, 458, Society for Industrial and Applied Mathematics, 06 May 2019 - A Bad Arm Existence Checking Problem
Koji Tabata; Atsuyoshi Nakamura; Junya Honda; Tamiki Komatsuzaki
CoRR, abs/1901.11200, 31 Jan. 2019, [Peer-reviewed]
English, Scientific journal, We study a bad arm existing checking problem in which a player's task is to
judge whether a positive arm exists or not among given K arms by drawing as
small number of arms as possible. Here, an arm is positive if its expected loss
suffered by drawing the arm is at least a given threshold. This problem is a
formalization of diagnosis of disease or machine failure. An interesting
structure of this problem is the asymmetry of positive and negative
(non-positive) arms' roles; finding one positive arm is enough to judge
existence while all the arms must be discriminated as negative to judge
non-existence. We propose an algorithms with arm selection policy (policy to
determine the next arm to draw) and stopping condition (condition to stop
drawing arms) utilizing this asymmetric problem structure and prove its
effectiveness theoretically and empirically. - The Personality of Small Numbers: Do Molecules Have Personality?
Tamiki Komatsuzaki
Minorities and Small Numbers from Molecules to Organisms in Biology: Toward a New Understanding of Biological Phenomena, 31, 37, 03 Nov. 2018, [Peer-reviewed]
English, In book - Deciphering hierarchical features in the energy landscape of adenylate kinase folding/unfolding
J. Nicholas Taylor; Menahem Pirchi; Gilad Haran; Tamiki Komatsuzaki
JOURNAL OF CHEMICAL PHYSICS, 148, 12, 123325, 123325, Mar. 2018, [Peer-reviewed], [Internationally co-authored], [International Magazine]
English, Scientific journal - Effects of non-equilibrium angle fluctuation on F1-ATPase kinetics induced by temperature increase.
Yuji Tamiya; Rikiya Watanabe; Hiroyuki Noji; Chun-Biu Li; Tamiki Komatsuzaki
Physical chemistry chemical physics : PCCP, 20, 3, 1872, 1880, 17 Jan. 2018, [Peer-reviewed], [International Magazine]
English, Scientific journal - Graph Minors from Simulated Annealing for Annealing Machines with Sparse Connectivity.
Yuya Sugie; Yuki Yoshida; Normann Mertig; Takashi Takemoto; Hiroshi Teramoto; Atsuyoshi Nakamura; Ichigaku Takigawa; Shin-ichi Minato; Masanao Yamaoka; Tamiki Komatsuzaki
Theory and Practice of Natural Computing - 7th International Conference, TPNC 2018, Dublin, Ireland, December 12-14, 2018, Proceedings, 11324, 111, 123, 2018, [Peer-reviewed]
English, International conference proceedings - FPGA-Based QBoost with Large-Scale Annealing Processor and Accelerated Hyperparameter Search
Takashi Takemoto; Normann Mertig; Masato Hayashi; Saki Susa-Tanaka; Hiroshi Teramoto; Atsuyoshi Nakamura; Ichigaku Takigawa; Shin-ichi Minato; Tamiki Komatsuzaki; Masanao Yamaoka
2018 INTERNATIONAL CONFERENCE ON RECONFIGURABLE COMPUTING AND FPGAS (RECONFIG), 1, 8, 2018, [Peer-reviewed]
English, International conference proceedings - Minorities and Small Numbers from Molecules to Organisms in Biology
Tamiki Komatsuzaki
Springer Singapore, 2018 - Mechanical Shielding of Rapidly Growing Cells Buffers Growth Heterogeneity and Contributes to Organ Shape Reproducibility
Nathan Hervieux; Satoru Tsugawa; Antoine Fruleux; Mathilde Dumond; Anne-Lise Routier-Kierzkowska; Tamiki Komatsuzaki; Arezki Boudaoud; John C. Larkin; Richard S. Smith; Chun-Biu Li; Olivier Hamant
CURRENT BIOLOGY, 27, 22, 3468, +, Nov. 2017, [Peer-reviewed], [International Magazine]
English, Scientific journal - Single Molecule Data Analysis: An Introduction
Meysam Tavakoli; J. Nicholas Taylor; Chun-Biu Li; Tamiki Komatsuzaki; Steve Pressé
Advances in Chemical Physics, 205, 305, John Wiley {\&} Sons, Inc., 23 Oct. 2017 - FRET monitoring of a nonribosomal peptide synthetase
Jonas Alfermann; Xun Sun; Florian Mayerthaler; Thomas E. Morrell; Eva Dehling; Gerrit Volkmann; Tamiki Komatsuzaki; Haw Yang; Henning D. Mootz
NATURE CHEMICAL BIOLOGY, 13, 9, 1009, +, Sep. 2017, [Peer-reviewed], [International Magazine]
English, Scientific journal - Classification of Hamiltonians in neighborhoods of band crossings in terms of the theory of singularities
Hiroshi Teramoto; Kenji Kondo; Shyuichi Izumiya; Mikito Toda; Tamiki Komatsuzaki
JOURNAL OF MATHEMATICAL PHYSICS, 58, 7, Jul. 2017, [Peer-reviewed]
English, Scientific journal - SINGLE MOLECULE DATA ANALYSIS: AN INTRODUCTION
Meysam Tavakoli; J. Nicholas Taylor; Chun-Biu Li; Tamiki Komatsuzaki; Steve Presse
ADVANCES IN CHEMICAL PHYSICS, VOL 162, 162, 205, 305, 2017, [Peer-reviewed]
English, In book - Variable Cell Growth Yields Reproducible Organ Development through Spatiotemporal Averaging
Lilan Hong; Mathilde Dumond; Satoru Tsugawa; Aleksandra Sapala; Anne-Lise Routier-Kierzkowska; Yong Zhou; Catherine Chen; Annamaria Kiss; Mingyuan Zhu; Olivier Hamant; Richard S. Smith; Tamiki Komatsuzaki; Chun-Biu Li; Arezki Boudaoud; Adrienne H. K. Roeder
DEVELOPMENTAL CELL, 38, 1, 15, 32, Jul. 2016, [Peer-reviewed], [International Magazine]
English, Scientific journal - Extracting Subcellular Fibrillar Alignment with Error Estimation: Application to Microtubules
Satoru Tsugawa; Nathan Hervieux; Oliver Hamant; Arezki Boudaoud; Richard S. Smith; Chun Biu Li; Tamiki Komatsuzaki
Biophysical Journal, 110, 8, 1836, 1844, Apr. 2016, [Peer-reviewed], [International Magazine]
English, Scientific journal - Deciphering Time Scale Hierarchy in Reaction Networks
Yutaka Nagahata; Satoshi Maeda; Hiroshi Teramoto; Takashi Horiyama; Tetsuya Taketsugu; Tamiki Komatsuzaki
Journal of Physical Chemistry B, 120, 8, 1961, 1971, 03 Mar. 2016, [Peer-reviewed], [International Magazine]
English, Scientific journal - ATP hydrolysis assists phosphate release and promotes reaction ordering in F
1 -ATPase
Chun Biu Li; Hiroshi Ueno; Rikiya Watanabe; Hiroyuki Noji; Tamiki Komatsuzaki
Nature Communications, 6, 10223, 10223, 17 Dec. 2015, [Peer-reviewed], [International Magazine]
English, Scientific journal - Kinetic Analysis for the Multistep Profiles of Organic Reactions: Significance of the Conformational Entropy on the Rate Constants of the Claisen Rearrangement
Yosuke Sumiya; Yutaka Nagahata; Tamiki Komatsuzaki; Tetsuya Taketsugu; Satoshi Maeda
JOURNAL OF PHYSICAL CHEMISTRY A, 119, 48, 11641, 11649, Dec. 2015, [Peer-reviewed], [International Magazine]
English, Scientific journal - Breakdown mechanisms of normally hyperbolic invariant manifolds in terms of unstable periodic orbits and homoclinic/heteroclinic orbits in Hamiltonian systems
Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki
NONLINEARITY, 28, 8, 2677, 2698, Aug. 2015, [Peer-reviewed]
English, Scientific journal - Mechanism and Experimental Observability of Global Switching Between Reactive and Nonreactive Coordinates at High Total Energies
Hiroshi Teramoto; Mikito Toda; Masahiko Takahashi; Hirohiko Kono; Tamiki Komatsuzaki
PHYSICAL REVIEW LETTERS, 115, 9, 093003, 093003, Aug. 2015, [Peer-reviewed], [International Magazine]
English, Scientific journal - Error-based extraction of states and energy landscapes from experimental single-molecule time-series
J. Nicholas Taylor; Chun Biu Li; David R. Cooper; Christy F. Landes; Tamiki Komatsuzaki
Scientific Reports, 5, 9174, 9174, 17 Mar. 2015, [Peer-reviewed], [International Magazine]
English, Scientific journal - Diversity in ATP concentrations in a single bacterial cell population revealed by quantitative single-cell imaging
Hideyuki Yaginuma; Shinnosuke Kawai; Kazuhito V. Tabata; Keisuke Tomiyama; Akira Kakizuka; Tamiki Komatsuzaki; Hiroyuki Noji; Hiromi Imamura
SCIENTIFIC REPORTS, 4, 6522, 6522, Oct. 2014, [Peer-reviewed], [International Magazine]
English, Scientific journal - A new method to improve validity range of Lie canonical perturbation theory: with a central focus on a concept of non-blow-up region
Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki
THEORETICAL CHEMISTRY ACCOUNTS, 133, 11, 1571 (15 pages), Sep. 2014, [Peer-reviewed]
English, Scientific journal - Local-heterogeneous responses and transient dynamics of cage breaking and formation in colloidal fluids
Preetom Nag; Hiroshi Teramoto; Chun-Biu Li; Joseph Z. Terdik; Norbert F. Scherer; Tamiki Komatsuzaki
JOURNAL OF CHEMICAL PHYSICS, 141, 10, 104907, 104907, Sep. 2014, [Peer-reviewed], [International Magazine]
English, Scientific journal - Fast Step Transition and State Identification (STaSI) for Discrete Single-Molecule Data Analysis
Bo Shuang; David Cooper; J. Nick Taylor; Lydia Kisley; Jixin Chen; Wenxiao Wang; Chun Biu Li; Tamiki Komatsuzaki; Christy F. Landes
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 5, 18, 3157, 3161, Sep. 2014, [Peer-reviewed], [International Magazine]
English, Scientific journal - Dynamics of chemical reaction around a saddle point: What divides reacting and non-reacting trajectories?
Shinnosuke Kawai; Tamiki Komatsuzaki
RSC Theoretical and Computational Chemistry Series, 154, 179, 2014
English, Scientific journal - Handling Noisy Data from Single Molecule Experiments
Chun-Biu LI; Tamiki KOMATSUZAKI
Seibutsu Butsuri, 54, 5, 257, 258, Biophysical Society of Japan, 2014
English, Scientific journal - 3P081 An extraction of hierarchical organization of embedded timescales buried in complex reaction network(01E. Protein: Measurement & Analysis,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))
Nagahata Yutaka; Maeda Satoshi; Teramoto Hiroshi; Li Chun-Biu; Horiyama Takashi; Taketsugu Tetsuya; Komatsuzaki Tamiki
Seibutsu Butsuri, 54, 1, S262, The Biophysical Society of Japan General Incorporated Association, 2014
English - 1P323 Dynamical heterogeneity and dynamics of cage breaking and formation in colloidal fluids(30. Miscellaneous topics,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014))
Nag Preetom; Teramoto Hiroshi; Li Chun-Biu; Komatsuzaki Tamiki
Seibutsu Butsuri, 54, 1, S194, The Biophysical Society of Japan General Incorporated Association, 2014
English - Non-Markovian properties and multiscale hidden Markovian network buried in single molecule time series
Tahmina Sultana; Hiroaki Takagi; Miki Morimatsu; Hiroshi Teramoto; Chun Biu Li; Yasushi Sako; Tamiki Komatsuzaki
Journal of Chemical Physics, 139, 24, 245101, 245101, 28 Dec. 2013, [Peer-reviewed], [International Magazine]
English, Scientific journal - Spatio-temporal hierarchy in the dynamics of a minimalist protein model
Yasuhiro Matsunaga; Akinori Baba; Chun Biu Li; John E. Straub; Mikito Toda; Tamiki Komatsuzaki; R. Stephen Berry
Journal of Chemical Physics, 139, 21, 215101, 215101, 07 Dec. 2013, [Peer-reviewed], [International Magazine]
English, Scientific journal - Detecting invariant manifolds as stationary Lagrangian coherent structures in autonomous dynamical systems
Hiroshi Teramoto; George Haller; Tamiki Komatsuzaki
CHAOS, 23, 4, 043107, 043107, Dec. 2013, [Peer-reviewed], [International Magazine]
English, Scientific journal - Reactivity boundaries for chemical reactions associated with higher-index and multiple saddles
Yutaka Nagahata; Hiroshi Teramoto; Chun Biu Li; Shinnosuke Kawai; Tamiki Komatsuzaki
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 88, 4, 042923, 042923, 29 Oct. 2013, [Peer-reviewed], [International Magazine]
English, Scientific journal - Aggregated markov model using time series of single molecule dwell times with minimum excessive information
Chun Biu Li; Tamiki Komatsuzaki
Physical Review Letters, 111, 5, 058301, 058301, 01 Aug. 2013, [Peer-reviewed], [International Magazine]
English, Scientific journal - Numerical construction of estimators for single-molecule fluorescence measurements
Shinnosuke Kawai; David Cooper; Christy Landes; Henning D. Mootz; Haw Yang; Tamiki Komatsuzaki
Journal of Physical Chemistry B, 117, 27, 8061, 8074, 11 Jul. 2013, [Peer-reviewed], [International Magazine]
English, Scientific journal - Reactivity boundaries to separate the fate of a chemical reaction associated with an index-two saddle
Yutaka Nagahata; Hiroshi Teramoto; Chun Biu Li; Shinnosuke Kawai; Tamiki Komatsuzaki
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 87, 6, 062817, 062817, 25 Jun. 2013, [Peer-reviewed], [International Magazine]
English, Scientific journal - Effect of timescale on energy landscape: Distinction between free-energy landscape and potential of mean force
Shinnosuke Kawai; Tamiki Komatsuzaki
PHYSICAL REVIEW E, 87, 3, 030803, 030803-4, Mar. 2013, [Peer-reviewed]
English, Scientific journal - Time-Resolved Single Molecule Fluorescence Spectroscopy of an alpha-Chymotrypsin Catalyzed Reaction
Tatyana G. Terentyeva; Johan Hofkens; Tamiki Komatsuzaki; Kerstin Blank; Chun-Biu Li
JOURNAL OF PHYSICAL CHEMISTRY B, 117, 5, 1252, 1260, Feb. 2013, [Peer-reviewed], [International Magazine]
English, Scientific journal - 2P224 A Multiscale Kinetic Scheme Extracted from EGFR-Grb2 Single Molecule Reaction(13E. Biological & Artifical membrane: Signal transduction,Poster)
Sultana Tahmina; Takagi Hiroaki; Morimatsu Miki; Teramoto Hiroshi; Li Chun-Biu; Sako Yasushi; Komatsuzaki Tamiki
Seibutsu Butsuri, 53, 1, S196, The Biophysical Society of Japan General Incorporated Association, 2013
English - 2P082 Identifying chemical states in Markov chain steady state network extracted from time series by finding "minimum" transition probability(01E. Protein: Measurement & Analysis,Poster)
Nagahata Yutaka; Teramoto Hiroshi; Li Chun-Biu; Komatsuzaki Tamiki
Seibutsu Butsuri, 53, 1, S172, The Biophysical Society of Japan General Incorporated Association, 2013
Japanese - 1P087 An Information Theoretical Approach to Local Equilibrium State Analysis for Single-Molecule Time-Series(01F. Protein:Engineering,Poster)
Taylor J. Nick; Li C. B.; Kawai S.; Mootz Henning D.; Yang Haw; Komatsuzaki Tamiki
Seibutsu Butsuri, 53, 1, S120, The Biophysical Society of Japan General Incorporated Association, 2013
English - 3P313 Coherent dynamics in colloidal fluids in terms of Lagrangian coherent structures (LCS)(30.Miscellaneous topics,Poster,The 51st Annual Meeting of the Biophysical Society of Japan)
Nag Preetom; Teramoto Hiroshi; Li Chun-Biu; Komatsuzaki Tamiki
Seibutsu Butsuri, 53, 1, S263, The Biophysical Society of Japan General Incorporated Association, 2013
English - 3P291 Quantifying the absolute ATP concentration inside single bacteria cells(27. Bioimaging,Poster)
Yaginuma Hideyuki; Kawai Shinnosuke; Tomiyama Keisuke; Tabata Kazuhito V.; Komatsuzaki Tamiki; Imamura Hiromi; Noji Hiroyuki
Seibutsu Butsuri, 53, 1, S260, The Biophysical Society of Japan General Incorporated Association, 2013
English - 力学的決定性と統計性の中間領域を探る IV
小松崎民樹; 戸田幹人
物性研究, 1, 3, Nov. 2012, [Peer-reviewed]
Japanese - Laser Control of Chemical Reactions by Phase Space Structures
Shinnosuke Kawai; Tamiki Komatsuzaki
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 85, 8, 854, 861, Aug. 2012, [Peer-reviewed]
English, Scientific journal - Long-Term Observation of Fluorescence of Free Single Molecules To Explore Protein-Folding Energy Landscapes
Kiyoto Kamagata; Toshifumi Kawaguchi; Yoshitomo Iwahashi; Akinori Baba; Kazuya Fujimoto; Tamiki Komatsuzaki; Yoshihiro Sambongi; Yuji Goto; Satoshi Takahashi
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 134, 28, 11525, 11532, Jul. 2012, [Peer-reviewed], [International Magazine]
English, Scientific journal - Dynamic disorder in single-enzyme experiments: Facts and artifacts
Tatyana G. Terentyeva; Hans Engelkamp; Alan E. Rowan; Tamiki Komatsuzaki; Johan Hofkens; Chun Biu Li; Kerstin Blank
ACS Nano, 6, 1, 346, 354, 24 Jan. 2012, [Peer-reviewed], [International Magazine]
English, Scientific journal - MULTIDIMENSIONAL ENERGY LANDSCAPES IN SINGLE-MOLECULE BIOPHYSICS
Akinori Baba; Tamiki Komatsuzaki
SINGLE-MOLECULE BIOPHYSICS: EXPERIMENT AND THEORY, VOL 146, 146, 299, 327, 2012
English, In book - STATIC AND DYNAMIC DISORDER IN IN VITRO RECONSTITUTED RECEPTOR-ADAPTOR INTERACTION
Hiroaki Takagi; Miki Morimatsu; Yasushi Sako
SINGLE-MOLECULE BIOPHYSICS: EXPERIMENT AND THEORY, VOL 146, 146, 195, 215, 2012, [Peer-reviewed]
English, In book - Multidimensional Energy Landscapes in Single-Molecule Biophysics
Akinori Baba; Tamiki Komatsuzaki
Single-Molecule Biophysics, 299, 327, John Wiley {\&} Sons, Inc., 22 Nov. 2011 - Advancing Theory for Kinetics and Dynamics of Complex, Many-Dimensional Systems: Clusters and Proteins
Tamiki Komatsuzaki
John Wiley & Sons, Inc., 19 Sep. 2011 - Ergodic Problems for Real Complex Systems in Chemical Physics
Tamiki Komatsuzaki; Akinori Baba; Shinnosuke Kawai; Mikito Toda; John E. Straub; R. Stephen Berry
Advancing Theory for Kinetics and Dynamics of Complex, Many-Dimensional Systems: Clusters and Proteins, 171, 220, John Wiley {\&} Sons, Inc., 05 Jul. 2011 - Dynamical Reaction Theory based on Geometric Structures in Phase Space
Shinnosuke Kawai; Hiroshi Teramoto; Chun-Biu Li; Tamiki Komatsuzaki; Mikito Toda
Advancing Theory for Kinetics and Dynamics of Complex, Many-Dimensional Systems: Clusters and Proteins, 123, 169, John Wiley {\&} Sons, Inc., 05 Jul. 2011 - Non-Brownian Phase Space Dynamics of Molecules, the Nature of their Vibrational States, and Non-RRKM Kinetics
David M. Leitner; Yasuhiro Matsunaga; Chun-Biu Li; Tamiki Komatsuzaki; Akira Shojiguchi; Mikito Toda
Advancing Theory for Kinetics and Dynamics of Complex, Many-Dimensional Systems: Clusters and Proteins, 83, 122, John Wiley {\&} Sons, Inc., 05 Jul. 2011 - Derivation of the generalized Langevin equation in nonstationary environments
Shinnosuke Kawai; Tamiki Komatsuzaki
JOURNAL OF CHEMICAL PHYSICS, 134, 11, 114523, 114523, Mar. 2011, [Peer-reviewed], [International Magazine]
English, Scientific journal - Flow and Stop Protocol for the Long-Time Observation of Fluorescence from Free Single Molecules: Application to the Time-Series Analysis of Protein Folding
Kiyoto Kamagata; Akinori Baba; Tamiki Komatsuzaki; Satoshi Takahashi
BIOPHYSICAL JOURNAL, 100, 3, 212, 213, Feb. 2011, [Peer-reviewed]
English - Phase space geometry of dynamics passing through saddle coupled with spatial rotation
Shinnosuke Kawai; Tamiki Komatsuzaki
JOURNAL OF CHEMICAL PHYSICS, 134, 8, 084304, 084304, Feb. 2011, [Peer-reviewed], [International Magazine]
English, Scientific journal - Extracting the underlying effective free energy landscape from single-molecule time series - Local equilibrium states and their network
Akinori Baba; Tamiki Komatsuzaki
Physical Chemistry Chemical Physics, 13, 4, 1395, 1406, 28 Jan. 2011, [Peer-reviewed], [International Magazine]
English, Scientific journal - Decomposability of Multivariate Interactions.
Naoki Miyagawa; Hiroshi Teramoto; Chun-Biu Li; Tamiki Komatsuzaki
Complex Syst., 20, 2, 165, 179, 2011, [Peer-reviewed]
English, Scientific journal - Extracting the Underlying Unique Reaction Scheme from a Single-Molecule Time Series
Chun Biu Li; Tamiki Komatsuzaki
Cell Signaling Reactions, 221, 263, Springer Netherlands, 2011 - 2H1424 Energy landscape of denatured protein revealed by a new single-molecule fluorescence method(Protein: Property 3,The 48th Annual Meeting of the Biophysical Society of Japan)
Kamagata Kiyoto; Kawaguchi Toshifumi; Baba Akinori; Sambongi Yoshihiro; Komatsuzaki Tamiki; Takahashi Satoshi
Seibutsu Butsuri, 51, S87, The Biophysical Society of Japan General Incorporated Association, 2011
English - 2F1512 Mathematical Principles of Hierarchical Structures in Multivariate Stochastic Process(Mathematical biology 2,The 48th Annual Meeting of the Biophysical Society of Japan)
Miyagawa Naoki; Teramoto Hiroshi; Li Chun-Biu; Komatsuzaki Tamiki
Seibutsu Butsuri, 51, S83, The Biophysical Society of Japan General Incorporated Association, 2011
English - 2F1436 Learning the Kinetic Scheme with Minimum Excessive Information from Dwell-Time Series(Mathematical biology 2,The 48th Annual Meeting of the Biophysical Society of Japan)
Li Chun-Biu; Komatsuzaki Tamiki
Seibutsu Butsuri, 51, S83, The Biophysical Society of Japan General Incorporated Association, 2011
English - 2B1700 Roles of water for conformation changes of a peptide : water assisting/hindering mechanism(Water & Hydration & Electrolyte,The 48th Annual Meeting of the Biophysical Society of Japan)
Teramoto Hiroshi; Komatsuzaki Tamiki
Seibutsu Butsuri, 51, S77, S78, The Biophysical Society of Japan General Incorporated Association, 2011
English - 3B0948 Extracting the reaction network buried in signal molecule time series of epidermal growth factor receptor and Grb2(3B Membrane proteins 2,The 49th Annual Meeting of the Biophysical Society of Japan)
Sultana Tahmina; Komatsuzaki Tamiki; Li Chun Biu; Teramoto Hiroshi
Seibutsu Butsuri, 51, S109, The Biophysical Society of Japan General Incorporated Association, 2011
English - DYNAMICAL REACTION THEORY BASED ON GEOMETRIC STRUCTURES IN PHASE SPACE
Shinnosuke Kawai; Hiroshi Teramoto; Chun-Biu Li; Tamiki Komatsuzaki; Mikito Toda
ADVANCING THEORY FOR KINETICS AND DYNAMICS OF COMPLEX, MANY-DIMENSIONAL SYSTEMS: CLUSTERS AND PROTEINS: ADVANCES IN CHEMICAL PHYSICS, VOL 145, 145, 123, 169, 2011
English, In book - ADVANCING THEORY FOR KINETICS AND DYNAMICS OF COMPLEX, MANY-DIMENSIONAL SYSTEMS: CLUSTERS AND PROTEINS PREFACE
Tamiki Komatsuzaki; R. Stephen Berry; David M. Leitner
ADVANCING THEORY FOR KINETICS AND DYNAMICS OF COMPLEX, MANY-DIMENSIONAL SYSTEMS: CLUSTERS AND PROTEINS: ADVANCES IN CHEMICAL PHYSICS, VOL 145, 145, XI, XII, 2011
English, In book - ERGODIC PROBLEMS FOR REAL COMPLEX SYSTEMS IN CHEMICAL PHYSICS
Tamiki Komatsuzaki; Akinori Baba; Shinnosuke Kawai; Mikito Toda; John E. Straub; R. Stephen Berry
ADVANCING THEORY FOR KINETICS AND DYNAMICS OF COMPLEX, MANY-DIMENSIONAL SYSTEMS: CLUSTERS AND PROTEINS: ADVANCES IN CHEMICAL PHYSICS, VOL 145, 145, 171, 220, 2011
English, In book - NON-BROWNIAN PHASE SPACE DYNAMICS OF MOLECULES, THE NATURE OF THEIR VIBRATIONAL STATES, AND NON-RRKM KINETICS
David M. Leitner; Yasuhiro Matsunaga; Chun-Biu Li; Tamiki Komatsuzaki; Akira Shojiguchi; Mikito Toda
ADVANCING THEORY FOR KINETICS AND DYNAMICS OF COMPLEX, MANY-DIMENSIONAL SYSTEMS: CLUSTERS AND PROTEINS: ADVANCES IN CHEMICAL PHYSICS, VOL 145, 145, 83, 122, 2011
English, In book - Quantum reaction boundary to mediate reactions in laser fields
Shinnosuke Kawai; Tamiki Komatsuzaki
JOURNAL OF CHEMICAL PHYSICS, 134, 2, 024317, 024317, Jan. 2011, [Peer-reviewed], [International Magazine]
English, Scientific journal - Dynamical Switching of a Reaction Coordinate to Carry the System through to a Different Product State at High Energies
Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki
PHYSICAL REVIEW LETTERS, 106, 5, 054101, 054101, Jan. 2011, [Peer-reviewed], [International Magazine]
English, Scientific journal - Spatial Heterogeneity of Multivariate Dependence
Naoki Miyagawa; Hiroshi Teramoto; Chun-Biu Li; Tamiki Komatsuzaki
NUMERICAL ANALYSIS AND APPLIED MATHEMATICS ICNAAM 2011: INTERNATIONAL CONFERENCE ON NUMERICAL ANALYSIS AND APPLIED MATHEMATICS, VOLS A-C, 1389, 991, 994, 2011, [Peer-reviewed]
English, International conference proceedings - Why and how do systems react in thermally fluctuating environments?
Shinnosuke Kawai; Tamiki Komatsuzaki
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13, 48, 21217, 21229, 2011, [Peer-reviewed], [International Magazine]
English, Scientific journal - Dynamic reaction coordinate in thermally fluctuating environment in the framework of the multidimensional generalized Langevin equations
Shinnosuke Kawai; Tamiki Komatsuzaki
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 12, 47, 15382, 15391, Dec. 2010, [Peer-reviewed], [International Magazine]
English, Scientific journal - How does a choice of Markov partition affect the resultant symbolic dynamics?
Hiroshi Teramoto; Tamiki Komatsuzaki
Chaos, 20, 3, 037113, 037113, 13 Jul. 2010, [Peer-reviewed], [International Magazine]
English, Scientific journal - Cooperativity at different space and time scales in multiscale protein dynamics
Yasuhiro Matsunaga; Chun-Biu Li; Tamiki Komatsuzaki
PHYSICAL REVIEW E, 82, 1, 016213, 016213, Jul. 2010, [Peer-reviewed], [International Magazine]
English, Scientific journal - Robust Existence of a Reaction Boundary to Separate the Fate of a Chemical Reaction
Shinnosuke Kawai; Tamiki Komatsuzaki
PHYSICAL REVIEW LETTERS, 105, 4, 048304, 048304, Jul. 2010, [Peer-reviewed], [International Magazine]
English, Scientific journal - 2P143 1E1340 Understandings of dynamical interactions between a peptide and water(The 48th Annual Meeting of the Biophysical Society of Japan)
Teramoto Hiroshi; Komatsuzaki Tamiki
Seibutsu Butsuri, 50, 2, S107, The Biophysical Society of Japan General Incorporated Association, 2010
English - 2SD0905 Flow and stop protocol for the long-time observation of fluorescence from free single molecules : application to protein folding(2SD Bridging Single Molecule Biophysics and System Biology:New Experimental and Theoretical Challenges,The 48th Annual Meeting of the Biophysical Society of Japan)
Kamagata Kiyoto; Baba Akinori; Komatsuzaki Tamiki; Takahashi Satoshi
Seibutsu Butsuri, 50, 2, S12, The Biophysical Society of Japan General Incorporated Association, 2010
English - Nonlinear dynamical effects on reaction rates in thermally fluctuating environments
Shinnosuke Kawai; Tamiki Komatsuzaki
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 12, 27, 7636, 7647, 2010, [Peer-reviewed], [International Magazine]
English, Scientific journal - Hierarchy of reaction dynamics in a thermally fluctuating environment
Shinnosuke Kawai; Tamiki Komatsuzaki
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 12, 27, 7626, 7635, 2010, [Peer-reviewed], [International Magazine]
English, Scientific journal - Dynamic pathways to mediate reactions buried in thermal fluctuations. II. Numerical illustrations using a model system
Shinnosuke Kawai; Tamiki Komatsuzaki
JOURNAL OF CHEMICAL PHYSICS, 131, 22, 224506, 224506, Dec. 2009, [Peer-reviewed], [International Magazine]
English, Scientific journal - Dynamic pathways to mediate reactions buried in thermal fluctuations. I. Time-dependent normal form theory for multidimensional Langevin equation
Shinnosuke Kawai; Tamiki Komatsuzaki
JOURNAL OF CHEMICAL PHYSICS, 131, 22, 224505, 224505, Dec. 2009, [Peer-reviewed], [International Magazine]
English, Scientific journal - New quantification of local transition heterogeneity of multiscale complex networks constructed from single-molecule time series
Chun Biu Li; Haw Yang; Tamiki Komatsuzaki
Journal of Physical Chemistry B, 113, 44, 14732, 14741, 11 May 2009, [Peer-reviewed], [International Magazine]
English, Scientific journal - Bifurcation of no-return transition states in many-body chemical reactions
Chun-Biu Li; Mikito Toda; Tamiki Komatsuzaki
JOURNAL OF CHEMICAL PHYSICS, 130, 12, 124116, 124116, Mar. 2009, [Peer-reviewed], [International Magazine]
English, Scientific journal - 3P-105 Analysis of cooperative modes of water and understandings of dynamical interaction between water and solute molecules through it(Water, Hydration & Electrolyte,The 47th Annual Meeting of the Biophysical Society of Japan)
Teramoto Hiroshi; Komatsuzaki Tamiki
Seibutsu Butsuri, 49, S169, The Biophysical Society of Japan General Incorporated Association, 2009
English - Exploring remnants of invariants buried in a deep potential well in chemical reactions
Hiroshi Teramoto; Tamiki Komatsuzaki
JOURNAL OF CHEMICAL PHYSICS, 129, 9, 094302, 094302, Sep. 2008, [Peer-reviewed], [International Magazine]
English, Scientific journal - Dynamical foundation and limitations of statistical reaction theory
Akira Shojiguchi; Chun-Biu Li; Tamiki Komatsuzaki; Mikito Toda
COMMUNICATIONS IN NONLINEAR SCIENCE AND NUMERICAL SIMULATION, 13, 5, 857, 867, Jul. 2008, [Peer-reviewed]
English, Scientific journal - Probing remnants of invariants to mediate energy exchange in highly chaotic many-dimensional systems
Hiroshi Teramoto; Tamiki Komatsuzaki
PHYSICAL REVIEW E, 78, 1, 017202, 017202, Jul. 2008, [Peer-reviewed], [International Magazine]
English, Scientific journal - Multiscale complex network of protein conformational fluctuations in single-molecule time series
Chun Biu Li; Haw Yang; Tamiki Komatsuzaki
Proceedings of the National Academy of Sciences of the United States of America, 105, 2, 536, 541, 15 Jan. 2008, [Peer-reviewed], [International Magazine]
English, Scientific journal - 3P-125 Elucidation of mode-selectivity of biomolecules(The 46th Annual Meeting of the Biophysical Society of Japan)
Teramoto Hiroshi; Komatsuzaki Tamiki
Seibutsu Butsuri, 48, S146, S147, The Biophysical Society of Japan General Incorporated Association, 2008
English - 3P-057 Local equilibrium state analysis : constructing an effective energy landscape from single molecule time series(The 46th Annual Meeting of the Biophysical Society of Japan)
Baba Akinori; Komatsuzaki Tamiki
Seibutsu Butsuri, 48, S136, The Biophysical Society of Japan General Incorporated Association, 2008
English - 3P-022 Denatured state dynamics of Cytochrome c551 observed by single molecule fluorescence intensity measurements(The 46th Annual Meeting of the Biophysical Society of Japan)
Fujimoto Kazuya; Kinoshita Masahito; Kamagata Kiyoto; Goto Yuji; Sambongi Yoshihiro; Baba Akinori; Komatsuzaki Tamiki; Takahashi Satoshi
Seibutsu Butsuri, 48, S131, The Biophysical Society of Japan General Incorporated Association, 2008
English - 3S1-3 Understanding the Multiscale Dynamics of Complex Biological Systems from Single Molecule Experiments(3S1 Drug discovery based on the rare events occurring on protein,The 46th Annual Meeting of the Biophysical Society of Japan)
Li Chun Biu; Yang Haw; Komatsuzaki Tamiki
Seibutsu Butsuri, 48, S15, The Biophysical Society of Japan General Incorporated Association, 2008
English - Fractional behavior in multidimensional Hamiltonian systems describing reactions (vol 76, art no 056205 2007)
Akira Shojiguchi; Chun-Biu Li; Tamiki Komatsuzaki; Mikito Toda
PHYSICAL REVIEW E, 77, 1, Jan. 2008, [Peer-reviewed]
English - Construction of effective free energy landscape from single-molecule time series
Akinori Baba; Tamiki Komatsuzaki
Proceedings of the National Academy of Sciences of the United States of America, 104, 49, 19297, 19302, 04 Dec. 2007, [Peer-reviewed], [International Magazine]
English, Scientific journal - Anomalous diffusion in folding dynamics of minimalist protein landscape
Yasuhiro Matsunaga; Chun-Biu Li; Tamiki Komatsuzaki
PHYSICAL REVIEW LETTERS, 99, 23, 238103, 238103, Dec. 2007, [Peer-reviewed], [International Magazine]
English, Scientific journal - Multiple-state reactions between the epidermal growth factor receptor and Grb2 as observed by using single-molecule analysis
Miki Morimatsu; Hiroaki Takagi; Kosuke G. Ota; Ryo Iwamoto; Toshio Yanagida; Yasushi Sako
Proceedings of the National Academy of Sciences of the United States of America, 104, 46, 18013, 18018, 13 Nov. 2007
Scientific journal - Fractional behavior in multidimensional Hamiltonian systems describing reactions
Akira Shojiguchi; Chun-Biu Li; Tamiki Komatsuzaki; Mikito Toda
PHYSICAL REVIEW E, 76, 5, 056205, 056205, Nov. 2007, [Peer-reviewed], [International Magazine]
English, Scientific journal - Development of a technique for the investigation of folding dynamics of single proteins for extended time periods
Masahito Kinoshita; Kiyoto Kamagata; Akio Maeda; Yuji Goto; Tamiki Komatsuzaki; Satoshi Takahashi
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 104, 25, 10453, 10458, Jun. 2007, [Peer-reviewed], [International Magazine]
English, Scientific journal - Fractional behavior in nonergodic reaction processes of isomerization
Akira Shojiguchi; Chun-Biu Li; Tamiki Komatsuzaki; Mikito Toda
PHYSICAL REVIEW E, 75, 3, 035204, 035204, Mar. 2007, [Peer-reviewed], [International Magazine]
English, Scientific journal - Dimension reduction for extracting geometrical structure of multidimensional phase space: Application to fast energy exchange in the reaction O(D-1)+N2O -> NO+NO
Shinnosuke Kawai; Yo Fujimura; Okitsugu Kajimoto
PHYSICAL REVIEW A, 75, 2, 022714-1, 022714-11, Feb. 2007
English, Scientific journal - Topographical complexity of multidimensional energy landscapes
Gareth J. Rylance; Roy L. Johnston; Yasuhiro Matsunaga; Chun Biu Li; Akinori Baba; Tamiki Komatsuzaki
Proceedings of the National Academy of Sciences of the United States of America, 103, 49, 18551, 18555, 05 Dec. 2006, [Peer-reviewed], [International Magazine]
English, Scientific journal - Erratum: Dynamical hierarchy in transition states of reactions (Few-Body Systems (2006) 38 (173) DOI: 10.1007/s00601-005-0130-2)
C. B. Li; A. Shojiguchi; M. Toda; T. Komatsuzaki
Few-Body Systems, 40, 1-2, 129, Dec. 2006, [Peer-reviewed]
English, Scientific journal - Definability of no-return transition states in the high-energy regime above the reaction threshold (vol 97, pg 028302, 2006)
Chun-Biu Li; Akira Shoujiguchi; Mikito Toda; Tamiki Komatsuzaki
PHYSICAL REVIEW LETTERS, 97, 12, Sep. 2006
English - Definability of no-return transition states in the high-energy regime above the reaction threshold.
Chun-Biu Li; Akira Shoujiguchi; Mikito Toda; Tamiki Komatsuzaki
Physical review letters, 97, 2, 028302, 028302, 14 Jul. 2006, [Peer-reviewed], [International Magazine]
English, Scientific journal - Wavelet analysis and Arnold web picture for detecting energy transfer in a Hamiltonian dynamical system
A. Shojiguchi; A. Baba; C. B. Li; T. Komatsuzaki; M. Toda
LASER PHYSICS, 16, 7, 1097, 1106, Jul. 2006
English, Scientific journal - Dynamical hierarchy in transition states of reactions
C. B. Li; A. Shojiguchi; M. Toda; T. Komatsuzaki
Few-Body Systems, 38, 2-4, 173, 179, Jun. 2006, [Peer-reviewed]
English, Scientific journal - 1P535 Extracting Dynamics from Time Series Data of Single Molecule Experiments on a Photo-by-Photo Basis(26. Single molecule biophysics,Poster Session,Abstract,Meeting Program of EABS & BSJ 2006)
Li Chun Biu; Komatsuzaki Tamiki
Seibutsu Butsuri, 46, 2, S280, The Biophysical Society of Japan General Incorporated Association, 2006
English - Phase-space reaction network on a multisaddle energy landscape: HCN isomerization.
Chun-Biu Li; Yasuhiro Matsunaga; Mikito Toda; Tamiki Komatsuzaki
The Journal of chemical physics, 123, 18, 184301, 184301, 08 Nov. 2005, [Peer-reviewed], [International Magazine]
English, Scientific journal - How many dimensions are required to approximate the potential energy landscape of a model protein?
Tamiki Komatsuzaki; Kyoko Hoshino; Yasuhiro Matsunaga; Gareth J Rylance; Roy L Johnston; David J Wales
The Journal of chemical physics, 122, 8, 84714, 84714, 22 Feb. 2005, [Peer-reviewed], [International Magazine]
English, Scientific journal - REGULARITY IN CHAOTIC TRANSITIONS ON TWO-BASIN LANDSCAPES
Tamiki Komatsuzaki; R. Stephen Berry
GEOMETRIC STRUCTURES OF PHASE SPACE IN MULTIDIMENSIONAL CHAOS: APPLICATIONS TO CHEMICAL REACTION DYNAMICS IN COMPLEX SYSTEMS, PT A, 130, 143, 170, 2005, [Peer-reviewed]
English - REGULARITY IN CHAOTIC TRANSITIONS ON MULTIBASIN LANDSCAPES
Tamiki Komatsuzaki; Kyoko Hoshino; Yasuhiro Matsunaga
GEOMETRIC STRUCTURES OF PHASE SPACE IN MULTIDIMENSIONAL CHAOS: APPLICATIONS TO CHEMICAL REACTION DYNAMICS IN COMPLEX SYSTEMS, PT B, 130, 257, 313, 2005, [Peer-reviewed]
English - Chemical Reaction Dynamics: Many-Body Chaos and Regularity
Tamiki Komatsuzaki; R. Stephen Berry
Advances in Chemical Physics, 79, 152, John Wiley {\&} Sons, Inc., 18 Mar. 2003 - A dynamical propensity rule for transitions in chemical reactions
Tamiki Komatsuzaki; R. Stephen Berry
Journal of Physical Chemistry A, 106, 45, 10945, 10950, 14 Nov. 2002, [Peer-reviewed]
English, Scientific journal - Multibasin dynamics in off-lattice minimalist protein landscapes
Yasuhiro Matsunaga; Konstantin S. Kostov; Tamiki Komatsuzaki
Journal of Physical Chemistry A, 106, 45, 10898, 10907, 14 Nov. 2002, [Peer-reviewed]
English, Scientific journal - Erratum: Regularity in chaotic reaction paths. I. Ar6 (Journal of Chemical Physics (1999) 110 (9160))
Tamiki Komatsuzaki; R. Stephen Berry
Journal of Chemical Physics, 116, 2, 862, 08 Jan. 2002
English, Scientific journal - Chemical reaction dynamics: Many-body chaos and regularity
Tamiki Komatsuzaki; R. Stephen Berry
Advances in Chemical Physics, 123, 79, 152, 2002
English, Scientific journal - Regularity in chaotic reaction paths III: Ar-6 local invariances at the reaction bottleneck
T Komatsuzaki; RS Berry
JOURNAL OF CHEMICAL PHYSICS, 115, 9, 4105, 4117, Sep. 2001
English, Scientific journal - Dynamical hierarchy in transition states: Why and how does a system climb over the mountain?
T Komatsuzaki; RS Berry
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 98, 14, 7666, 7671, Jul. 2001
English, Scientific journal - Local regularity and non-recrossing path in transition state - a new strategy in chemical reaction theories
T Komatsuzaki; RS Berry
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 506, 55, 70, Jul. 2000
English, Scientific journal - Regularity in chaotic reaction paths. I. Ar-6
T Komatsuzaki; RS Berry
JOURNAL OF CHEMICAL PHYSICS, 110, 18, 9160, 9173, May 1999
English, Scientific journal - Electronic spectra of ion pairs of picrate ion with alkali-metal polyether complexes in non-aqueous solvents
K Sawada; F Chigira; K Satoh; T Komatsuzaki
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 93, 10, 1903, 1908, May 1997
English, Scientific journal - A dividing surface free from a barrier recrossing motion in many-body systems
T Komatsuzaki; M Nagaoka
CHEMICAL PHYSICS LETTERS, 265, 1-2, 91, 98, Jan. 1997
English, Scientific journal - Study on "regularity" of barrier recrossing motion
Tamiki Komatsuzaki; Masataka Nagaoka
Journal of Chemical Physics, 105, 24, 10838, 10848, American Institute of Physics Inc., 1996
English, Scientific journal - Proton transfer in liquid water .2. A semiempirical method to describe chemical reactions
T Komatsuzaki; Ohmine, I
MOLECULAR SIMULATION, 16, 4-6, 321, 344, 1996
English, Scientific journal - ENERGETICS OF PROTON-TRANSFER IN LIQUID WATER .1. AB-INITIO STUDY FOR ORIGIN OF MANY-BODY INTERACTION AND POTENTIAL-ENERGY SURFACES
T KOMATSUZAKI; OHMINE, I
CHEMICAL PHYSICS, 180, 2-3, 239, 269, Mar. 1994
English, Scientific journal - A NEW STERIC SUBSTITUENT CONSTANT OMEGA-S. CHARACTERISTIC FEATURE AND COMPARISON WITH SOME OTHER STERIC CONSTANTS
T KOMATSUZAKI; AKAI, I; K SAKAKIBARA; M HIROTA
TETRAHEDRON, 48, 9, 1539, 1556, Feb. 1992, [Peer-reviewed]
English, Scientific journal - A New Steric Substituent Constant S Based on Molecular Mechanics Calculations.
Minoru Hirota; Kazuhisa Sakakibara; Tamiki Komatsuzaki; Ikuo Akai
Comput. Chem., 15, 3, 241, 248, 1991, [Peer-reviewed]
English, Scientific journal - A NEW STERIC SUBSTITUENT PARAMETER OMEGA-S - SOPHISTICATION OF CALCULATION AND CORRELATION WITH THE KINETIC DATA OF SEVERAL REACTIONS
T KOMATSUZAKI; K SAKAKIBARA; M HIROTA
CHEMISTRY LETTERS, 10, 1913, 1916, Oct. 1990, [Peer-reviewed]
English, Scientific journal - A NEW METHOD FOR EVALUATING THE STERIC HINDRANCE BY SUBSTITUENT
T KOMATSUZAKI; K SAKAKIBARA; M HIROTA
TETRAHEDRON LETTERS, 30, 25, 3309, 3312, 1989, [Peer-reviewed]
English, Scientific journal
- A Round Table at IUPAB Congress in Kyoto 2024: Dreaming the Next 50 Years in Our Biophysics I
Kumiko HAYASHI; Gerhard HUMMER; Jerelle A. JOSEPH; Rong LI; Takeharu NAGAI; Shuichi ONAMI; Feng ZHANG; Akira KITAMURA; Yuichi TOGASHI; Akira KAKUGO; Ikuko FUJIWARA; Tamiki KOMATSUZAKI, Seibutsu Butsuri, 65, 1, 35, 46, May 2025
Biophysical Society of Japan, Japanese - A Round Table at IUPAB Congress in Kyoto 2024: Dreaming the Next 50 Years in Our Biophysics II
Kumiko HAYASHI; Gerhard HUMMER; Jerelle A. JOSEPH; Rong LI; Takeharu NAGAI; Shuichi ONAMI; Feng ZHANG; Akira KITAMURA; Yuichi TOGASHI; Akira KAKUGO; Ikuko FUJIWARA; Tamiki KOMATSUZAKI, Seibutsu Butsuri, 65, 2, 101, 112, May 2025
Biophysical Society of Japan, Japanese - Quantum algorithm for dynamic mode decomposition integrated with a quantum differential equation solver
Yuta Mizuno; Tamiki Komatsuzaki, Physical Review Research, 6, 4, 11 Oct. 2024
English - Low-Dimensional Projection of Reactive Islands in Chemical Reaction Dynamics Using a Supervised Dimensionality Reduction Method
Ryoichi Tanaka; Yuta Mizuno; Takuro Tsutsumi; Mikito Toda; Tetsuya Taketsugu; Tamiki Komatsuzaki, arXiv, Mar. 2024
Transition state theory is a standard framework for predicting the rate of a chemical reaction. Although the transition state theory has been successfully applied to numerous chemical reaction analyses, many experimental and theoretical studies have reported chemical reactions with a reactivity which cannot be explained by the transition state theory due to dynamic effects. Dynamical systems theory provides a theoretical framework for elucidating dynamical mechanisms of such chemical reactions. In particular, reactive islands are essential phase space structures revealing dynamical reaction patterns. However, the numerical computation of reactive islands in a reaction system of many degrees of freedom involves an intrinsic challenge—the curse of dimensionality. In this paper, we propose a dimensionality reduction algorithm for computing reactive islands in a reaction system of many degrees of freedom. Using the supervised principal component analysis, the proposed algorithm projects reactive islands into a low-dimensional phase space with preserving the dynamical information on reactivity as much as possible. The effectiveness of the proposed algorithm is examined by numerical experiments for Hénon-Heiles systems extended to many degrees of freedom. The numerical results indicate that our proposed algorithm is effective in terms of the quality of reactivity prediction and the clearness of the boundaries of projected reactive islands. The proposed algorithm is a promising elemental technology for practical applications of dynamical systems analysis to real chemical systems., English, Technical report - Finding optimal pathways in chemical reaction networks using Ising machines
Yuta Mizuno; Tamiki Komatsuzaki, Physical Review Research, 29 Jan. 2024
Finding optimal pathways in chemical reaction networks is essential for elucidating and designing chemical processes, with significant applications such as synthesis planning and metabolic pathway analysis. Such a chemical pathway-finding problem can be formulated as a constrained combinatorial optimization problem, aiming to find an optimal combination of chemical reactions connecting starting materials to target materials in a given network. Due to combinatorial explosion, the computation time required to find an optimal pathway increases exponentially with the network size. Ising machines, including quantum and simulated annealing devices, are promising novel computers dedicated to such hard combinatorial optimization. However, to the best of our knowledge, there has yet to be an attempt to apply Ising machines to chemical pathway-finding problems. In this article, we present the first Ising/quantum computing application for chemical pathway-finding problems. The Ising model, translated from a chemical pathway-finding problem, involves several types of penalty terms for violating constraints. It is not obvious how to set appropriate penalty strengths of different types. To address this challenge, we employ Bayesian optimization for parameter tuning. Furthermore, we introduce a novel technique that enhances tuning performance by grouping penalty terms according to the underlying problem structure. The performance evaluation and analysis of the proposed algorithm were conducted using a D-Wave Advantage system and simulated annealing. The benchmark results reveal challenges in finding exact optimal pathways. Concurrently, the results indicate the feasibility of finding approximate optimal pathways, provided that a certain degree of relative error in cost value is acceptable., English - Rapid diagnosis using sequential Raman measurements
田畑公次; 川越寛之; TAYLOR J.; 望月健太郎; 久保俊貴; CLEMENT Jean-Emmanuel; 熊本康昭; 原田義規; 中村篤祥; 藤田克昌; 小松崎民樹, 人工知能学会全国大会論文集(Web), 38th, 2024 - Modes of information flow in collective cohesion
Sulimon Sattari; Udoy S. Basak; Ryan G. James; Louis W. Perrin; James P. Crutchfield; Tamiki Komatsuzaki, SCIENCE ADVANCES, 8, 6, eabj1720, Feb. 2022, [Peer-reviewed], [Internationally co-authored], [International Magazine]
English - Bandit Raman microscopy: reinforcement learning for rapid diagnosis
田畑公次; 田畑公次; 川越寛之; TALYER James Nicholas; 望月健太郎; 久保俊貴; CLEMENT Jean-Emmanuel; 熊本康昭; 熊本康昭; 原田義規; 中村篤祥; 藤田克昌; 藤田克昌; 藤田克昌; 小松崎民樹; 小松崎民樹; 小松崎民樹; 小松崎民樹, 日本分光学会年次講演会(CD-ROM), 2022, 2022 - On-the-flyラマン顕微鏡による迅速診断
田畑公次; 田畑公次; 川越寛之; TALYER James Nicholas; 望月健太郎; 久保俊貴; CLEMENT Jean-Emmanuel; 熊本康昭; 熊本康昭; 原田義規; 中村篤祥; 藤田克昌; 藤田克昌; 藤田克昌; 小松崎民樹; 小松崎民樹; 小松崎民樹; 小松崎民樹, レーザ顕微鏡研究会講演会抄録集, 47th (CD-ROM), 2022 - Fast Raman Microscopic Diagnosis by Bandit Algorithm
田畑公次; 田畑公次; 川越寛之; TALYER James Nicholas; 望月健太郎; 久保俊貴; CLEMENT Jean-Emmanuel; 熊本康昭; 熊本康昭; 原田義規; 中村篤祥; 藤田克昌; 藤田克昌; 藤田克昌; 小松崎民樹; 小松崎民樹; 小松崎民樹; 小松崎民樹, Optics & Photonics Japan講演予稿集(CD-ROM), 2022, 2022 - A Note on Enumeration by Fair Sampling
Tamiki Komatsuzaki, arXiv, 05 Apr. 2021, [Peer-reviewed]
This note describes an algorithm for enumerating all the elements in a finite
set based on uniformly random sampling from the set. This algorithm can be used
for enumeration by fair sampling with quantum annealing. Our algorithm is based
on a lemma of the coupon collector's problem and is an improved version of the
algorithm described in arXiv:2007.08487 (2020). We provide a mathematical
analysis and a numerical demonstration of our algorithm., English, Introduction scientific journal - Ising computing for chemical reaction pathway analysis and its performance evaluation
水野雄太; 水野雄太; 水野雄太; 小松崎民樹; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 15th, 2021 - Development of fuzzy clustering based on spatial heterogeneity in Raman spectral imaging
近藤僚哉; TAYLOR James N.; CLEMENT Jean-Emmanuel; 水野雄太; 水野雄太; 水野雄太; 藤田克昌; 原田義規; 小松崎民樹; 小松崎民樹; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 15th, 2021 - Construction of a Hamiltonian system with reduced degrees of freedom extracted by principal component analysis
田中綾一; 水野雄太; 水野雄太; 堤拓朗; TSITSVERO Mikhail; 武次徹也; 武次徹也; 小松崎民樹; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 15th, 2021 - Observation-time scale hierarchies of reaction network and its correlated structural similarity
永幡裕; 武次徹也; 武次徹也; 前田理; 前田理; 小松崎民樹; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 15th, 2021 - Inferring Domain of Interactions among Elements from Ensemble of Trajectories II. -Effects of finite length trajectories and external noise
Udoy S. Basak; Sulimon Sattari; Hossain M. Motaleb; Kazuki Horikawa; Tamiki Komatsuzaki, 18 Sep. 2020, [Peer-reviewed]
Transfer entropy in information theory was recently shown [Phys. Rev. E 102,
012404 (2020)] to enable us to elucidate the interaction domain among
interacting particles solely from an ensemble of trajectories. There, only
pairs of particles whose distances are shorter than some distance variable,
termed cutoff distance, are taken into account in the computation of transfer
entropies. The prediction performance in capturing the underlying interaction
domain is subject to noise level exerted on the particles and the sufficiency
of statistics of the interaction events. In this paper, the dependence of the
prediction performance is scrutinized systematically on noise level and the
length of trajectories by using a modified Vicsek model. The larger the noise
level and the shorter the time length of trajectories, the more the derivative
of average transfer entropy fluctuates, which makes it difficult to identify
the interaction domain in terms of the position of global minimum of the
derivative of average transfer entropy. A measure to quantify the degree of
strong convexity at coarse-grained level is proposed. It is shown that the
convexity score scheme can identify the interaction distance fairly well even
while the position of global minimum of the derivative of average transfer
entropy does not., English, Introduction scientific journal - タンパク質・DNA間の結合に新機構を発見 分子の揺らぎを利用するラチェットの可能性
嶋本伸雄; 戸田幹人; 奈良重俊; 小松崎民樹; 鎌形清人; 杵淵隆; 富澤純一, 東北大学多元物質科学研究所研究発表会講演予稿集, 20th, 2020, [Peer-reviewed]
Japanese, Introduction scientific journal - A Plenary Symposium in Memory of Prof. Fumio Oosawa "Our Future of Biophysics—A Scope of Next 50 Years"
KOMATSUZAKI Tamiki, Seibutsu Butsuri, 60, 2, 122, 122, 2020, [Peer-reviewed]
The Biophysical Society of Japan General Incorporated Association, Japanese, Introduction scientific journal - バンディット問題の方策を用いたモンテカルロ木探索による最適属性集合探索
中村篤祥; ペリシエ オレリアン; 田畑公次; 小松崎民樹, 日本細胞生物学会大会(Web), 71st, ROMBUNNO.1SEp‐07 (WEB ONLY), 2019, [Peer-reviewed]
Japanese, Introduction scientific journal - 機械学習による非アルコール性脂肪性肝疾患モデルのラマン分光分析
原田 義規; Cahyadi Harsono; Helal Khalifa; 岡嶋 亮; 田畑 公次; Taylor Nick; 熊本 康昭; 高松 哲郎; 小松崎 民樹; 田中 秀央, 日本病理学会会誌, 107, 1, 368, 368, Apr. 2018
(一社)日本病理学会, Japanese, Introduction scientific journal - 1細胞ラマン分光イメージングと情報科学のinterdependentな融合を目指して
小松崎民樹; 小松崎民樹, 応用物理学会春季学術講演会講演予稿集(CD-ROM), 65th, ROMBUNNO.19p‐D102‐5, 2018, [Peer-reviewed]
Japanese, Introduction scientific journal - Bad Arm Existence Checking Algorithms with Small Sample Complexity
田畑公次; 中村篤祥; 本多淳也; 本多淳也; 小松崎民樹, 人工知能学会人工知能基本問題研究会資料, 106th, 94, 99, 2018, [Peer-reviewed]
人工知能学会, Japanese, Introduction scientific journal - 機械学習による非アルコール性脂肪性肝疾患モデルのラマン分光分析
原田義規; CAHYADI Harsono; HELAL Khalifa; 岡嶋亮; 田畑公次; TAYLOR Nick; 熊本康昭; 高松哲郎; 小松崎民樹; 田中秀央, 日本病理学会会誌, 107, 1, 368, 368, 2018, [Peer-reviewed]
(一社)日本病理学会, Japanese, Introduction scientific journal - Algorithms for Checking Existence of a Bad Arm Utilizing Asymmetry
田畑公次; 中村篤祥; 小松崎民樹, 電子情報通信学会技術研究報告, 118, 284(IBISML2018 44-104)(Web), 353‐360 (WEB ONLY), 2018, [Peer-reviewed]
Japanese, Introduction scientific journal - 少数性の生命科学:Minor要素の振舞いがシステム全体に影響を及ぼす思わぬ仕掛け 一細胞ラマン計測と情報科学の融合による少数性の生命科学
小松崎 民樹, 生命科学系学会合同年次大会, 2017年度, [2PS14, 1], Dec. 2017
生命科学系学会合同年次大会運営事務局, Japanese - 少数性の生命科学:Minor要素の振舞いがシステム全体に影響を及ぼす思わぬ仕掛け 一細胞ラマン計測と情報科学の融合による少数性の生命科学
小松崎 民樹, 生命科学系学会合同年次大会, 2017年度, [2PS14, 1], Dec. 2017
生命科学系学会合同年次大会運営事務局, Japanese - 特集:少数性生物学ってなんだ?: 「少数と個性―分子の数と生命らしさ」
小松崎 民樹, 実験医学, 35(19), 1, 1, 2017 - 実験医学
小松崎 民樹, 特集:少数性生物学ってなんだ?: 「少数と個性―分子の数と生命らしさ」, 35(19), 1, 1, 2017 - Cell diagnosis by combining single cell Raman imaging and information science: toward accelerating measurements
小松崎民樹, 人工知能学会全国大会論文集(CD-ROM), 31st, 0, 2I4OS10b5, 2I4OS10b5, 2017近年、圧縮センシング等の発展に加えて、生きた細胞のラマン分光画像がつくる高次元空間のうち、少数次元で細胞状態を分類できることなどが明らかとなってきた。本講演では、低いシグナル/ノイズ比を考慮に入れたファジクラスタリングによる細胞状態分別に関する研究成果を紹介しつつ、情報科学と計測科学の融合が如何に生命科学において重要であるかを論じる
, 一般社団法人 人工知能学会, Japanese - Classification of Hamiltonians in neighborhoods of adiabatic energy level crossings
Teramoto Hiroshi; Izumiya Shyuichi; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 72, 2, 2624, 2624, 2017
The Physical Society of Japan, Japanese - Theory of Gas Phase Scattering and Reactivity for Astrochemistry
Tamiki Komatsuzaki, Report from the Workshop on Theory of Gas Phase Scattering and Reactivity for Astrochemistry Nov 23 – Dec 4, 2015, 03 Oct. 2016
Because of the very peculiar conditions of chemistry in many astrophysical
gases (low densities, mostly low temperatures, kinetics-dominated chemical
evolution), great efforts have been devoted to study molecular signatures and
chemical evolution. While experiments are being performed in many laboratories,
it appears that the efforts directed towards theoretical works are not as
strong.
This report deals with the present status of chemical physics/physical
chemistry theory, for the qualitative and quantitative understanding of
kinetics of molecular scattering, being it reactive or inelastic. By gathering
several types of expertise, from applied mathematics to physical chemistry,
dialog is made possible, as a step towards new and more adapted theoretical
frameworks, capable of meeting the theoretical, methodological and numerical
challenges of kinetics-dominated gas phase chemistry in astrophysical
environments.
A state of the art panorama is presented, alongside present-day strengths and
shortcomings. However, coverage is not complete, being limited in this report
to actual attendance of the workshop. Some paths towards relevant progress are
proposed., Technical report - 時間解像度に依存した反応ネットワークの階層的変化とその予測手法の開発
永幡裕; 前田理; 寺本央; 武次徹也; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 10th, ROMBUNNO.3P151 (WEB ONLY), 2016
Japanese - A coarse graining method to extract cooperative modes of water molecules
TODA Mikito; Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki, Advances in Science, Technology and Environmentology, 2015 - Understandings of Chemical Reaction Dynamics in terms of Dynamical Systems Theory
Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki, INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2015 (ICCMSE 2015), 1702, 2015, [Peer-reviewed]
English - 16pCQ-2 Stability and Bifurcation of Electron Energy Level Crossings in terms of the theory of singularity.
Teramoto Hiroshi; Toda Mikito; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 70, 0, 2568, 2568, 2015
The Physical Society of Japan, Japanese - 非平衡効果が引き起こすF1分子モーターの非アレニウス型温度依存性
田宮裕治; 田宮裕治; LI Chun‐Biu; LI Chun‐Biu; 渡邉力也; 野地博行; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 9th, ROMBUNNO.2P097 (WEB ONLY), 2015
Japanese - 複雑分子系の異性化反応ネットワークに埋め込まれた時間階層構造の解読
永幡裕; 前田理; 寺本央; 寺本央; LI Chun‐Biu; 堀山貴史; 武次徹也; 小松崎民樹; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 9th, ROMBUNNO.1P088 (WEB ONLY), 2015
Japanese - 一細胞計測で見えてきたバクテリア細胞内ATP濃度の多様性
柳沼秀幸; 柳沼秀幸; 柳沼秀幸; 河合信之輔; 河合信之輔; 田端和仁; 冨山佳祐; 垣塚彰; 小松崎民樹; 岡田康志; 野地博行; 野地博行; 今村博臣; 今村博臣, 日本細胞生物学会大会要旨集, 67th, 162, 162, 2015
(一社)日本細胞生物学会, Japanese - 増大特集 生命動態システム科学 Ⅱ.数理生物学 1.理論 (5)トップダウンとボトムアップの橋渡し
小松崎 民樹, 生体の科学, 65, 5, 444, 445, 15 Oct. 2014
株式会社医学書院 - 28pAR-3 The extraction of essential multi-order information in the pattern formation
Miyagawa N.; Teramoto H.; Kawai S.; Li C-B; Komatsuzaki T., Meeting Abstracts of the Physical Society of Japan, 69, 0, 334, 334, 2014
The Physical Society of Japan, Japanese - 2SAP-01 Molecular Individuality and Minority in Biology(Scenario of functions from minority and number fluctuations,Symposium,The 52th Annual Meeting of the Biophysical Society of Japan(BSJ2014))
Komatsuzaki Tamiki, Seibutsu Butsuri, 54, 1, S130, 2014
The Biophysical Society of Japan General Incorporated Association, English - 2SAP-04 Heterogeneity in ATP Concentrations in a Single Bacterial Cell Population Revealed by Quantitative Single-cell Imaging(Scenario of functions from minority and number fluctuations,Symposium,The 52th Annual Meeting of the Biophysical Society of Japan(BSJ2014))
Yaginuma Hideyuki; Kawai Shinnosuke; Tabata Kazuhito; Tomiyama Keisuke; Kakizuka Akira; Komatsuzaki Tamiki; Okada Yasushi; Noji Hiroyuki; Imamura Hiromi, Seibutsu Butsuri, 54, 1, S130, 2014
The Biophysical Society of Japan General Incorporated Association, English - 複雑分子系の異性化反応ネットワークに埋め込まれた時間階層構造の抽出
永幡裕; 前田理; 寺本央; 寺本央; LI Chun‐Biu; 堀山貴史; 武次徹也; 小松崎民樹; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 8th, ROMBUNNO.1E15 (WEB ONLY), 2014
Japanese - パターン形成における本質的な高次相関情報量の抽出
宮川尚紀; 寺本央; 河合信之輔; LI C‐B; LI C‐B; 小松崎民樹, 日本物理学会講演概要集, 69, 1, 334, 2014
Japanese - タンパク質‐分子計測から得られたマルコフ連鎖がもつ時間階層構造の理解に向けて
永幡裕; 寺本央; LI Chun‐Biu; 小松崎民樹, 日本物理学会講演概要集, 69, 1, 359, 2014
Japanese - 正準変換摂動理論の有効領域の拡張法とそれによる振動子間の非線型共鳴によるエネルギー移動の解明
寺本央; 戸田幹人; 小松崎民樹, 日本物理学会講演概要集, 69, 2, 170, 2014
Japanese - 定量的ATPイメージングから明らかになった集団内における単一大腸菌細胞内ATP濃度の多様性
柳沼秀幸; 河合信之輔; 田端和仁; 冨山佳祐; 垣塚彰; 小松崎民樹; 野地博行; 今村博臣, 日本生体エネルギー研究会討論会講演要旨集, 40th, 38, 39, 2014
Japanese - 30aAR-1 Toward understanding hierarchical structure of complex reaction networks extracted from single molecule time series
Nagahata Yutaka; Teramoto Hiroshi; Li Chun-Biu; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 69, 0, 359, 359, 2014
The Physical Society of Japan, Japanese - 30pAA-6 Extracting Transient Cooperative Modes of bio-molecules and water molecules
Teramoto Hiroshi; Toda Mikito; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 69, 0, 437, 437, 2014
The Physical Society of Japan, Japanese - 9pAR-3 Molecular Individuality Manifesting itself in Minority Biology
Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 69, 0, 221, 221, 2014
The Physical Society of Japan, Japanese - 9pAY-1 Improving validity ranges of Lie Canonical Perturbation Theory (LCPT) and elucidation of energy transfer mechanism in terms of it
Teramoto Hiroshi; Toda Mikito; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 69, 0, 170, 170, 2014
The Physical Society of Japan, Japanese - Lagrangian coherent structures : the hidden skeleton of fluid flows
ピーコック トーマス; ハラー ジョージ; 小松崎 民樹, パリティ, 28, 11, 4, 12, Nov. 2013
丸善, Japanese - 少数個分子の協同が生み出す生命機能のメカニズム 分子イメージングから要素間の高次相互作用の定量化に向けて(Biological functions derived from cooperation of a small number of molecules Toward quantifying higher-order interactions among elements from molecular imaging)
小松崎 民樹, 生物物理, 53, Suppl.1-2, S95, S95, Sep. 2013
(一社)日本生物物理学会, English - 大自由度力学系の集団運動抽出に向けた問題提起 : 化学反応動力学の観点から (力学系の作る集団ダイナミクス : 保存系・散逸系の枠組みを越えて)
寺本 央; 戸田 幹人; 小松崎 民樹, 数理解析研究所講究録, 1827, 1827, 154, 170, Mar. 2013
京都大学数理解析研究所, Japanese - 大自由度力学系の集団運動抽出に向けた問題提起 : 化学反応動力学の観点から (力学系の作る集団ダイナミクス : 保存系・散逸系の枠組みを越えて : RIMS研究集会報告集)
寺本 央; 戸田 幹人; 小松崎 民樹, 数理解析研究所講究録, 1827, 1827, 154, 170, Mar. 2013
京都大学, Japanese - 生命動態システムのなかに生き残る分子の個性を聴きたい
小松崎 民樹, 分子研レターズ, 67, 17, 18, Mar. 2013
Japanese, Introduction research institution - 法双曲的不変多様体崩壊の量子的兆候
寺本央; 戸田幹人; 小松崎民樹, 日本物理学会講演概要集, 68, 1, 2013 - 任意の確率分布に対する推定量の数値的構成
河合信之輔; COOPER David; LANDES Christy; MOOTZ Henning D.; YANG Haw; 小松崎民樹, 日本物理学会講演概要集, 68, 1, 2013 - Stationary Lagrangian Coherent Structureによる化学反応動力学の理解
寺本央; 戸田幹人; 小松崎民樹, 日本化学会講演予稿集, 93rd, 2, 2013 - 時間スケールに依存して変化する実効自由度とエネルギー地形
河合信之輔; 寺本央; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 7th, 2013 - 反応の運命を分ける反応性境界:定義の一般化とH5+プロトン移動反応における反応性境界の抽出
永幡裕; 河合信之輔; 河合信之輔; 寺本央; 寺本央; LI Chun-Biu; 小松崎民樹; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 7th, 2013 - 反応座標切替機構の量子的兆候
寺本央; 戸田幹人; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 7th, 2013 - バクテリア細胞内ATP濃度の一細胞計測
柳沼秀幸; 柳沼秀幸; 河合信之輔; 田端和仁; 田端和仁; 冨山佳祐; 垣塚彰; 小松崎民樹; 今村博臣; 野地博行; 野地博行, 日本生化学会大会(Web), 86th, 2013 - 26aXL-6 Quantum manifestation of the breakdown of normally hyperbolic invariant manifold
Teramoto Hiroshi; Toda Mikito; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 68, 0, 318, 318, 2013
The Physical Society of Japan, Japanese - 26pXZD-3 Phase Space Structure to Separate the Fate of a Chemical Reaction
Nagahata Yutaka; Teramoto Hrosi; Li Chun-Biu; Kawai Shinnosuke; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 68, 1, 337, 337, 2013
The Physical Society of Japan, Japanese - 2SDA-07 Toward quantifying higher-order interactions among elements from molecular imaging(2SDA Biological functions derived from cooperation of a small number of molecules,Symposium,The 51th Annual Meeting of the Biophysical Society of Japan)
Komatsuzaki Tamiki, Seibutsu Butsuri, 53, 1, S95, 2013
The Biophysical Society of Japan General Incorporated Association, English - 29pXZD-6 Numerical Construction of estimators for arbitrary probability distributions
Kawai Shinnosuke; Cooper David; Landes Christy; Mootz Henning D.; Yang Haw; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 68, 0, 462, 462, 2013
The Physical Society of Japan, Japanese - 18pAC-6 A novel computational procedure for locating Lagrangian Coherent Structures (LCS) from variational LCS theory
Nag Preetom; Teramoto Hiroshi; Li Chun Biu; Komatsuzaki Tamiki, Meeting abstracts of the Physical Society of Japan, 67, 2, 232, 232, 24 Aug. 2012
The Physical Society of Japan (JPS), English - 領域11,領域12「化学反応や生体高分子の構造変化における状態変化の起源を探る」(第67回年次大会シンポジウムの報告,学会報告)
小松崎 民樹; 戸田 幹人, 日本物理學會誌, 67, 7, 521, 521, 05 Jul. 2012
一般社団法人日本物理学会, Japanese - 分子科学若手の会夏の学校50周年記念文集に寄せて
小松崎 民樹, 分子科学若手の会夏の学校50周年記念文集, Mar. 2012 - 大域的パターンの連結情報量とその分解可能性
宮川尚紀; 宮川尚紀; 寺本央; 寺本央; LI Chun Biu; LI Chun Biu; LI Chun Biu; 小松崎民樹; 小松崎民樹; 小松崎民樹, 日本物理学会講演概要集, 67, 1, 2012 - 一分子時系列から“掘り起こす”多次元自由エネルギー地形の情報理論的構成法の開発
千葉勇太; 河合信之輔; 河合信之輔; 馬場昭典; 寺本央; 寺本央; LI C B.; LI C B.; 小松崎民樹; 小松崎民樹; 小松崎民樹, 日本物理学会講演概要集, 67, 1, 2012 - 多原子分子の構造転移反応に対する少数の変数による実効的記述
河合信之輔; 寺本央; 小松崎民樹, 日本化学会講演予稿集, 92nd, 2, 2012 - 一分子酵素反応実験におけるDynamic disorderの起源
小松崎民樹, 日本生化学会大会(Web), 85th, 2012 - 凝縮相ダイナミクスにおける時間スケールのエネルギー地形への影響
河合信之輔; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 6th, 2012 - 複雑分子系を読み解くための新しい1分子理論
LI Chun Biu; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 6th, 2012 - 高次ランクサドルを含めた化学反応ダイナミクスにおける反応の境界
永幡裕; 河合信之輔; 河合信之輔; 寺本央; 寺本央; LI Chun-Biu; 小松崎民樹; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 6th, 2012 - 長時間一分子蛍光測定による緑膿菌由来シトクロムcのフォールディング機構の研究
川口敏史; 鎌形清人; 小井川浩之; 三本木至宏; 馬場昭典; 小松崎民樹; 高橋聡, 日本化学会講演予稿集, 92nd, 3, 2012 - 新規一分子蛍光観測法による蛋白質の折り畳みの自由エネルギー地形の探索
鎌形清人; 川口敏史; 馬場昭典; 三本木至宏; 小松崎民樹; 高橋聡, 日本蛋白質科学会年会プログラム・要旨集, 12th, 2012 - 27pBJ-1 Digging the origin of state change in chemical reactions and structural transitions in biomolecules
Komatsuzaki Tamiki; Toda Mikito, Meeting Abstracts of the Physical Society of Japan, 67, 1, 435, 435, 2012
The Physical Society of Japan, Japanese - 27aPS-35 Development of a method to extract the underlying multidimensional dynamics of a non-ribosomal peptide synthetase
Kikuchi M.; Kawai S.; Teramoto H.; Li CB; Komatsuzaki T., Meeting Abstracts of the Physical Society of Japan, 67, 1, 431, 431, 2012
The Physical Society of Japan, Japanese - 27aPS-32 Development of information-theoretic constitution method that "digs up" a multidimensional energy landscape from a single molecule time series data
Chiba Y.; Kawai S.; Baba A.; Teramoto H.; Li CB; Komatsuzaki T., Meeting Abstracts of the Physical Society of Japan, 67, 0, 430, 430, 2012
The Physical Society of Japan, Japanese - 27aAG-2 Connected information of global patterns and its decomposability
Miyagawa N.; Teramoto H.; Li Chun Biu; Komatsuzaki T., Meeting Abstracts of the Physical Society of Japan, 67, 0, 363, 363, 2012
The Physical Society of Japan, Japanese - 24pAE-16 Phase Space Structure Which Uniquely Defines Past and Future of Reactions on a Saddle with Two Reactive Degrees of Freedom
Nagahata Yutaka; Kawai Shinnosuke; Teramoto Hirosi; Li Chun-Bin; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 67, 1, 300, 300, 2012
The Physical Society of Japan, Japanese - 24pAE-15 Analysis of Dynamical Systems with Large Degrees of Freedom in Terms of Local Spectra
Teramoto Hiroshi; Toda Mikito; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 67, 1, 300, 300, 2012
The Physical Society of Japan, Japanese - 24pBF-1 Extracting low-dimensional dynamical systems to describe the essence of condensed phase chemical reactions
Kawai Shinnosuke; Teramoto Hiroshi; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 67, 1, 397, 397, 2012
The Physical Society of Japan, Japanese - 18pAC-5 Construction of normally repelling invariant surface in terms of contra-variant Lyapunov vector
Teramoto Hiroshi; Haller George; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 67, 2, 231, 231, 2012
The Physical Society of Japan, Japanese - 1分子実験を読み解くための新しい実践型分子理論を目指して
小松崎 民樹, 第二次先端ウオッチング調査:融合領域の創生「高次分子システムのための分子, 31, 34, 2012 - Single Molecule Biophysics: Experiment and Theory
Tamiki Komatsuzaki; Masaru Kawakami; Satoshi Takahashi; Haw Yang; Robert J. Silbey, Single Molecule Biophysics: Experiment and Theory, 146, 1, 494, 23 Nov. 2011
Wiley Blackwell, English, Others - 法双曲不変多様体の崩壊と生成,局所から大域へ
寺本央; 戸田幹人; 小松崎民樹, 日本物理学会講演概要集, 66, 1, 2011 - 凝縮相化学反応の本質部分を記述する低自由度力学系の抽出
河合信之輔; 寺本央; 小松崎民樹, 日本物理学会講演概要集, 66, 1, 2011 - 多自由度分子系において化学反応の運命を分かつ反応境界面の頑健な存在
河合信之輔; 小松崎民樹, 日本化学会講演予稿集, 91st, 2, 2011 - 法双曲不変多様体崩壊の量子力学的兆候
寺本央; 戸田幹人; 小松崎民樹, 日本物理学会講演概要集, 66, 2, 2011 - 大自由度分子系のダイナミクスを記述する低次元力学系の抽出
河合信之輔; 寺本央; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 5th, 2011 - 詳細つり合いが成立しない遷移ネットワークから構成される有効エネルギー地形
伊藤正寛; 馬場昭典; 李振風; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 5th, 2011 - 階層構造をつくる多変数確率過程の数理
宮川尚紀; 宮川尚紀; 寺本央; 寺本央; 李振風; 李振風; 小松崎民樹; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 5th, 2011 - 二つの反応方向をもつ鞍点における反応の決定性
永幡裕; 河合信之輔; 河合信之輔; 寺本央; 寺本央; LI Chun-Biu; 小松崎民樹; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 5th, 2011 - 新規-分子蛍光観測法による蛋白質の自由エネルギー地形の解析
鎌形清人; 川口敏史; 馬場昭典; 三本木至宏; 小松崎民樹; 高橋聡, 日本蛋白質科学会年会プログラム・要旨集, 11th, 2011 - Preface
T. Komatsuzaki; M. Kawakami; S. Takahashi; H. Yang; R. J. Silbey, APPLIED MICROBIOLOGY AND MOLECULAR BIOLOGY IN OILFIELD SYSTEMS, 146, V, VI, 2011
English, Others - Understandings of Transport Phenomena in Multi-Dimensional Dynamical Systems : Normally Hyperbolic Invariant Manifold (NHIM) and Its Stable/Unstable Manifolds and Their Breakdown
Teramoto Hiroshi; Toda Mikito; Komatsuzaki Tamiki, 物性研究, 97, 3, 547, 559, 2011
In this paper, we discuss our recent development for the understandings of transport phenomena in dynamical systems in terms of normally hyperbolic invariant manifolds (NHIMs) and their stable/unstable manifolds, following a discussion with Professor Shuichi Tasaki by one of the authors, Komatsuzaki, while they chatted with drinking coffee or tea at the institute for fundamental chemistry in Kyoto. In dynamical systems, a NHIM is a representative invariant structure that is structually stable. In addition, the stable/unstable manifolds emanating from the NHIM, especially those that have codimension one, play an important role for transports in phase space. The importance of the NHIM and its stable/unstable manifolds, to turn the other way, indicates that the breakdown of these structures can have a big consequence for the transports. For example, a phenomena recently found by the authors, a switching of the reaction coordinate with the other nonreactive coordinate, is one of the consequences for the breakdown of the NHIM. In order to investigate the breakdowm mechanism of the NHIM, we focus on unstable periodic orbits embedded in the NHIM. We classify the breakdown patterns at these periodic orbits into six patterns. In the last section, we discuss more global features of the breakdown mechanism and its dependency on the system dimensions., 物性研究刊行会, Japanese - 28aTB-7 Global pattern of Many variables' Stochastic Process and Connected Information
Miyagawa N.; Teramoto H.; Li C.B.; Komatsuzaki T., Meeting Abstracts of the Physical Society of Japan, 66, 1, 336, 336, 2011
The Physical Society of Japan, Japanese - 28aTC-9 Breakdown and Generation of Normally Hyperbolic Invariant Manifold, from local mechanism to global mechanism
Teramoto Hiroshi; Toda Mikito; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 66, 0, 340, 340, 2011
The Physical Society of Japan, Japanese - 26pGT-3 Extracing low-dimensional dynamical systems to describe the essence of condensed phase chemical reactions
Kawai Shinnosuke; Teramoto Hiroshi; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 66, 0, 390, 390, 2011
The Physical Society of Japan, Japanese - 27pGT-5 Effective energy landscapes constructed from transition networks which do not satisfy the detailed balance condition
Itoh Masahiro; Baba Akinori; Li Chun Biu; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 66, 1, 408, 408, 2011
The Physical Society of Japan, Japanese - 22pGS-13 Quantum manifestation for the breakdown of Normally Hyperbolic Invariant Manifold
Teramoto Hiroshi; Toda Mikito; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 66, 0, 236, 236, 2011
The Physical Society of Japan, Japanese - 粘菌の自己組織化的な環境適応モデルのダイナミクス
桜井大督; 小松崎民樹; 寺本央; LI Chun Biu, 日本物理学会講演概要集, 65, 1, 2010 - 多変数確率過程の背後に存在する集団運動の数理
宮川尚紀; 寺本央; LI C.-B.; 小松崎民樹, 日本物理学会講演概要集, 65, 1, 2010 - 強レーザー場による反応制御における力学構造
河合信之輔; 小松崎民樹, 日本化学会講演予稿集, 90th, 2, 2010 - 強レーザー場による反応制御における量子ダイナミクス
河合信之輔; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 4th, 2010 - 溶質分子の構造変化に際しての水の役割
寺本央; 小松崎民樹, 日本物理学会講演概要集, 65, 1, 2010 - 蛋白質beta3sの自由エネルギー地形-自由エネルギー地形概念の再考-
伊藤正寛; 馬場昭典; 李振風; 小松崎民樹, 日本蛋白質科学会年会プログラム・要旨集, 10th, 2010 - Extracting Complex Network and Effective Free Energy Landscape of Protein Fluctuation from Single-Molecule Time Series
Tamiki Komatsuzaki; Chun-Biu Li; Akinori Baba, BIOPHYSICAL JOURNAL, 98, 3, 184A, 184A, Jan. 2010, [Peer-reviewed]
English, Summary international conference - Robustness and Diversity of Transitions in a Sea of Chaos and Stochastic Fluctuation
Tamiki Komatsuzaki; Chun Biu Li; Shinnosuke Kawai, NUMERICAL ANALYSIS AND APPLIED MATHEMATICS, VOLS I-III, 1281, 1582, 1584, 2010, [Peer-reviewed]
English - 21pPSB-56 Ensemble Behavior and Chaos of Transition Dynamics in Liouville Formalism
Nagahata Y.; Teramoto H.; Li C. -B.; Komatsuzaki T., Meeting Abstracts of the Physical Society of Japan, 65, 1, 327, 327, 2010
The Physical Society of Japan, Japanese - 21pPSB-68 The Dynamics of the Model of Self Organizing Adaptive Network Model by a Slime Mold
Sakurai Daisuke; Komatsuzaki Tamiki; Teramoto Hiroshi; Li Chun Biu, Meeting Abstracts of the Physical Society of Japan, 65, 0, 330, 330, 2010
The Physical Society of Japan, Japanese - 22pEC-12 Roles of water molecules in times of conformational change of solute molecules
Teramoto Hiroshi, Meeting Abstracts of the Physical Society of Japan, 65, 0, 391, 391, 2010
The Physical Society of Japan, Japanese - 23aPS-88 Collective Phenomenon Buried in Many variables' Stochastic Process
Miyagawa N.; Teramoto H.; Li C. -B.; Komatsuzaki T., Meeting Abstracts of the Physical Society of Japan, 65, 0, 399, 399, 2010
The Physical Society of Japan, Japanese - 23aPS-132 A study about methods for constructing tree structure (disconnectivity graph) from complex networks
Itoh Masahiro; Baba Akinori; Li Chun Biu; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 65, 1, 408, 408, 2010
The Physical Society of Japan, Japanese - 23pED-5 Determinism and Fluctuations in Chemical Reactions under Thermal Environments
Kawai Shinnosuke; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 65, 1, 410, 410, 2010
The Physical Society of Japan, Japanese - Determinism and Fluctuation of Chemical Reactions under Noisy Environment
河合信之輔; 小松崎民樹, 日本化学会講演予稿集, 89th, 1, 2009 - 反応O+OH→H+O2における非統計性と反応動力学
河合信之輔; 小松崎民樹; LARREGARAY Pascal, 分子科学討論会講演プログラム&要旨(Web), 3rd, 2009 - 一分子観測時系列に基づく多次元自由エネルギー地形の構成
馬場昭典; 馬場昭典; 小松崎民樹; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 3rd, 2009 - 3P-082 Statistical analysis of the mechanosensitive ion channel's dynamics(Membrane proteins,The 47th Annual Meeting of the Biophysical Society of Japan)
Sei Kazuto; Li Chun Biu; Komatsuzaki Tamiki, Seibutsu Butsuri, 49, 0, S165, 2009
The Biophysical Society of Japan General Incorporated Association, English - 反応O(1D)+N2O→NO+NOの相空間構造の解析
河合信之輔; LI Chun-Biu; 小松崎民樹; 山下雄史; 藤村陽; 戸田幹人, 化学反応討論会講演要旨集, 24th, 2008 - 1分子時系列情報から読み解く生命機能の階層構造
小松崎民樹; 小松崎民樹, 日本物理学会講演概要集, 63, 2, 2008 - 液相反応の動力学-熱浴下における反応の決定性-
河合信之輔; 小松崎民樹, 分子科学討論会講演プログラム&要旨(Web), 2nd, 2008 - 蛋白質の折り畳み運動を一分子レベルで観測するための新手法の開発
木下雅仁; 鎌形清人; 鎌形清人; 前田晃央; 後藤祐児; 後藤祐児; 小松崎民樹; 高橋聡; 高橋聡, 日本化学会講演予稿集, 88th, 2, 2008 - 一分子測定法を用いた緑膿菌由来シトクロムcの折り畳み運動の解明
藤本和也; 木下雅仁; 鎌形清人; 鎌形清人; 後藤祐児; 三本木至宏; 三本木至宏; 馬場昭典; 馬場昭典; 小松崎民樹; 小松崎民樹; 高橋聡; 高橋聡, 生体分子科学討論会講演要旨集, 35th, 2008 - 1S7-5 State Space Network extracted from Single Molecule Measurement : An illustration of Mechanosensitive ion channel MscL(1S7 Dynamic Picture of Ion Channel upon Gating,The 46th Annual Meeting of the Biophysical Society of Japan)
Sei Kazuto; Baba Akinori; Li Chun-Biu; Komatsuzaki Tamiki, Seibutsu Butsuri, 48, 0, S6, 2008
The Biophysical Society of Japan General Incorporated Association, English - 3P-066 Statistical analysis for the mechanosensitive ion chanel : Toward the understanding of gating mechanism(The 46th Annual Meeting of the Biophysical Society of Japan)
Sei Kazuto; Baba Akinori; Li Chun-Biu; Komatsuzaki Tamiki, Seibutsu Butsuri, 48, 0, S137, 2008
The Biophysical Society of Japan General Incorporated Association, English - Polymers and Chaos: Anomalous Diffusion and Hierarchical Regularity
Yasuhiro Matsunaga; Tamiki Komatsuzaki, Kobunshi, 57, 2, 58, 61, 2008, [Peer-reviewed]
The Society of Polymer Science, Japan, Japanese - State Transition Network Extracted from Single-Molecule Time Series
小松崎民樹, 生物物理, 48, 5, 282, 283, 2008
The Biophysical Society of Japan General Incorporated Association, Japanese - 1分子時系列情報から我々は何を学び取ることができるか?
小松崎民樹, 物性研究, 91, 2, 121, 130, 2008
この論文は国立情報学研究所の電子図書館事業により電子化されました。, 物性研究刊行会, Japanese - 22pWB-6 1分子時系列情報から読み解く生命機能の階層構造(22pWB 領域12シンポジウム:単一分子分光の最前線,領域12(ソフトマター物理,化学物理,生物物理))
小松崎 民樹, 日本物理学会講演概要集, 63, 0, 330, 330, 2008
一般社団法人 日本物理学会, Japanese - 生体系時系列データから動力学諸量を抽出する方法論(From time series of biological systems to their dynamical)
寺本 央; 小松崎 民樹, 生物物理, 47, Suppl.1, S41, S41, Nov. 2007
(一社)日本生物物理学会, English - 蛋白質の折り畳み運動を観測するための一分子測定手法の開発(Development of a technique for the investigation of folding dynamics of single proteins for extended time periods)
木下 雅仁; 鎌形 清人; 前田 晃央; 後藤 祐児; 小松崎 民樹; 高橋 聡, 生物物理, 47, Suppl.1, S139, S139, Nov. 2007
(一社)日本生物物理学会, English - PHYS 632-What can one learn about the underlying free energy landscape from single molecule time series?
Tamiki Komatsuzaki; Akinori Baba, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 234, Aug. 2007, [Peer-reviewed]
English, Summary international conference - PHYS 583-Capturing the multiple-time-scale dynamical state-network buried in the time series of single molecule experiments
Chun Biu Li; Tamiki Komatsuzaki, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 234, Aug. 2007, [Peer-reviewed]
English, Summary international conference - 生体分子における振動エネルギーから力学的エネルギーへの変換機構
寺本央; 小松崎民樹, 分子科学討論会講演要旨集(CD-ROM), 1st, 2007 - 時系列から見る運動の階層性
馬場昭典; 馬場昭典; 小松崎民樹; 小松崎民樹, 日本物理学会講演概要集, 62, 2, 2007 - 3P353 Complex network extrancted from single molecule time series : Dynamical structure in Kantorovich metric space(Bioimaging. Behavior. Development and differentiation. Molecular genetics. Others,Oral Presentations)
Sei Kazuto; Komatsuzaki Tamiki, Seibutsu Butsuri, 47, 0, S291, 2007
The Biophysical Society of Japan General Incorporated Association, English - 1P073 From time series of biological systems to their dynamical(Proteins-methodology,Poster Presentations)
Teramoto Hiroshi; Komatsuzaki Tamiki, Seibutsu Butsuri, 47, 0, S41, 2007
The Biophysical Society of Japan General Incorporated Association, English - 1P075 COMPLEX MULTI-SCALE NETWORKS AND INFORMATION FLOWS FOR PROTEIN DYNAMICS FROM SINGLE-MOLECULE TIME SERIES(Proteins-functions, methodology, and protein enigineering,Oral Presentations)
Li Chun-Biu; Komatsuzaki Tamiki; Haw Yang, Seibutsu Butsuri, 47, 0, S42, 2007
The Biophysical Society of Japan General Incorporated Association, English - 2P104 Development of a technique for the investigation of folding dynamics of single proteins for extended time periods(Proteins-stability, folding, and other physicochemical properties,Poster Presentations)
Kinoshita Masahito; Kamagata Kiyoto; Maeda Akio; Goto Yuji; Komatsuzaki Tamiki; Takahashi Satoshi, Seibutsu Butsuri, 47, 0, S139, 2007
The Biophysical Society of Japan General Incorporated Association, English - Cross talk between planetary science and nonlinear science : From chemical reactions to biocomputing
SHIRAKAWA Tomohiro; GUNJI Yukio-Pegio; KOMATSUZAKI Tamiki, Planetary people, 16, 4, 322, 329, 2007
惑星科学と非線形科学にはどのような接点があるのであろうか?カオスの源流は恒星力学の三体問題に端を発していることは周知の通りであるが両者の関係はそれだけではない.天文学者堀源一郎氏が開発したリー正準変換摂動理論は,カオスの発展の素地をつくっただけではなく,化学反応や蛋白質の構造変化における「偶然と必然」の原理を解き明かそうとしている.しかしながら,この問題が宇宙船の安価な惑星間航路を如何に,惑星系の重力場が存在する宇宙空間から,抽出するかという問題と等価であることは殆ど知られていない.また,NASAはDNA,粘菌といった生物計算の構築原理を2002年から10年間3千万ドルという巨額の予算を投じて研究し,次世代の宇宙探査開発に活かそうとしている.本稿ではこうした惑星科学と非線形科学との間の新しいクロストークに関連した我々の最近の研究成果を紹介する., The Japanese Society for Planetary Sciences, Japanese - 21pRK-4 Complex network extracted from single molecule time series : Dynamical structure in Kantorovich metric space
Sei Kazuto; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 62, 2, 356, 356, 2007
The Physical Society of Japan, Japanese - 22pTJ-7 Temporal hierarchy of dynamics and time series analysis
Baba Akinori; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 62, 0, 288, 288, 2007
The Physical Society of Japan, Japanese - 22pTJ-4 Power-law behavior of a minimal hamiltonian dynamics of reaction process
Shojiguchi A.; Li Chun Biu; Komatsuzaki T.; Toda M., Meeting Abstracts of the Physical Society of Japan, 62, 2, 287, 287, 2007
The Physical Society of Japan, Japanese - 19aTC-6 Construction and Visualization of State-to-State Network behind Single Molecule Time Series
Sei Kazuto; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 62, 0, 335, 335, 2007
The Physical Society of Japan, Japanese - 21aWA-9 Causal structures in epsilon machines : Analogy with dynamical systems theory
Demirplak Mustafa; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 62, 0, 297, 297, 2007
The Physical Society of Japan, English - 19pTC-3 Fluid like structure in site-velocity vector field of water in the vicinity of the biomolecule
Noda Satoshi; Baba Akinori; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 62, 0, 342, 342, 2007
The Physical Society of Japan, Japanese - 19aTC-10 Collectivity at Different Space and Time Scales in Multiscale Protein Dynamics
Matsunaga Yasuhiro; Li Chun-Biu; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 62, 0, 337, 337, 2007
The Physical Society of Japan, Japanese - Geometrical Structure buried in the Phase Space of Stochastic Structural Transition
Li Chun Biu; Toda Mikito; Komatsuzaki Tamiki, 物性研究, 86, 1, 77, 81, Apr. 2006
この論文は国立情報学研究所の電子図書館事業により電子化されました。, 物性研究刊行会, English - 複雑な多谷ポテンシャルエネルギー面上で生起する動力学諸問題--タンパク質とその周辺 (複雑な多谷ポテンシャルエネルギー面上で生起する動力学諸問題--タンパク質とその周辺)
渕上 壮太郎; 小松崎 民樹; 戸田 幹人, 物性研究, 86, 1, 37, 42, Apr. 2006
この論文は国立情報学研究所の電子図書館事業により電子化されました。研究会報告, 物性研究刊行会, Japanese - タンパク質エネルギー地形における構造多様性と多次元エネルギー地形の新しい可視化手法 (複雑な多谷ポテンシャルエネルギー面上で生起する動力学諸問題--タンパク質とその周辺)
星野 恭子; 松永 康佑; Lylance Gareth J.; Johnston Roy L.; Wales David J.; 小松崎 民樹, 物性研究, 86, 1, 117, 122, Apr. 2006
この論文は国立情報学研究所の電子図書館事業により電子化されました。, 物性研究刊行会, Japanese - 水の場としての集団運動と生体分子の構造転移ダイナミクス (複雑な多谷ポテンシャルエネルギー面上で生起する動力学諸問題--タンパク質とその周辺)
納多 哲史; 馬場 昭典; 小松崎 民樹, 物性研究, 86, 1, 123, 129, Apr. 2006
この論文は国立情報学研究所の電子図書館事業により電子化されました。, 物性研究刊行会, Japanese - 生体分子の一分子時系列解析: 測定値の分布関数による状態推定法
2006 - 1分子時系列解析と分子科学
2006 - 一分子時系列情報に潜む状態遷移ネットワークの構成論と可視化技術の開発
2006 - Causal structures ofε-machine constructed from time series: Analogy with dynamical systems theory
2006 - 測定値の分布形状に基づく一分子時系列解析法:局所エルゴード状態の推定と自由エネルギー面の再構築
2006 - 1分子時系列情報に基づく反応ネットワーク構造の構成論とその複雑さ解析
2006 - 測定値の分布形状に基づく一分子時系列解析法:局所エルゴード状態の推定と自由エネルギー面の再構築
2006 - 1分子時系列情報から解読される生体分子系の動態構造
2006 - 1分子計測時系列情報から読み取るたんぱく質系の動的構造
2006 - 時系列情報から再構成する状態空間構造と化学反応動力学
2006 - 分子異性化反応のモデルにおける異常拡散
2006 - Randomness and Memory in Single Molecule Time Series
2006 - Extracting Dynamics from Time Series Data of single Molecule Experiments on a photon-by-photon Basis
2006 - A discrete wavelet time series analysis;the hierarchy of dynamics of biomolecules
2006 - A construction of the underlying free energy landscape from single molecule time series
2006 - Extracting Protein Conformational Dynamics on a Photon-by-Photon Basis in Single Molecule Electron Transfer
2006 - Construction of Effective Free Energy Landscape from Single Molecule Time Series of Biomolecules
2006 - A Persistence of Long-Time Memory in Coarse-Grained Site-Velocity Field of Liquid Water
2006 - A Local ergodic state analysis of single molecule time series
2006 - Dynamical Hierarchy of Transitions in Chemical Reactions
2006 - Water Field Dynamics in the Vicinity of Proteins
2006 - Geometrical Structure buried in the Phase Space of Stochastic Structural Transition
物性研究, 86-1,77-81, 2006 - Dynamical Foundation and Limitations of Statistical Reaction Theory
Communications in Nonlinear Science and Numerical Simulation, in press, 2006 - 複雑な多谷ポテンシャルエネルギー面上で生起する動力学諸問題III─タンパク質とその周辺─(研究会報告)
物性研究, 86, 2006 - 水の場としての集団運動と生体分子の構造転移ダイナミクス
納多哲史; 馬場昭典; 馬場昭典; 小松崎民樹; 小松崎民樹; 小松崎民樹, 物性研究, 86, 1, 2006 - タンパク質エネルギー地形における構造多様性と多次元エネルギー地形の新しい可視化手法
星野恭子; 松永康佑; LYLANCE Gareth J.; JOHNSTON Roy L.; WALES David J.; 小松崎民樹; 小松崎民樹, 物性研究, 86, 1, 2006 - 「複雑な多谷ポテンシャルエネルギー面上で生起する動力学諸問題III─タンパク質とその周辺─(研究会報告)」
物性研究, 86-1,37-154, 2006 - Randomness and Memory in Single Molecule Time Series
2006 - Extracting Dynamics from Time Series Data of single Molecule Experiments on a photon-by-photon Basis
2006 - A discrete wavelet time series analysis;the hierarchy of dynamics of biomolecules
2006 - A construction of the underlying free energy landscape from single molecule time series
2006 - Extracting Protein Conformational Dynamics on a Photon-by-Photon Basis in Single Molecule Electron Transfer
2006 - Construction of Effective Free Energy Landscape from Single Molecule Time Series of Biomolecules
2006 - A Persistence of Long-Time Memory in Coarse-Grained Site-Velocity Field of Liquid Water
2006 - A Local ergodic state analysis of single molecule time series
2006 - What can one learn about the underlying free energy landscape or dynamical structure from single molecule time series?
2006 - Dynamical Hierarchy of Transitions in Chemical Reactions
2006 - Water Field Dynamics in the Vicinity of Proteins
2006 - Mechanism of fast energy exchange between two NO vibrations in a short lifetime path of O(1D)+N2O -> NO+NO
Physical Review A, in press, 2006 - S2e1-2 A construction of the underlying free energy landscape from single molecule time series(S2-e1: "Universality and diversity on the protein-folding problem",Symposia,Abstract,Meeting Program of EABS & BSJ 2006)
Komatsuzaki Tamiki, Seibutsu Butsuri, 46, 2, S123, 2006
The Biophysical Society of Japan General Incorporated Association, English - 1P537 Randomness and Memory in Single Molecule Time Series(26. Single molecule biophysics,Poster Session,Abstract,Meeting Program of EABS & BSJ 2006)
Sei Kazuto; Baba Akinori; Li Chun Biu; Komatsuzaki Tamiki, Seibutsu Butsuri, 46, 2, S281, 2006
The Biophysical Society of Japan General Incorporated Association, English - 1P539 Applicability of local ergodic state analysis of single molecule time series(26. Single molecule biophysics,Poster Session,Abstract,Meeting Program of EABS & BSJ 2006)
Baba Akinori; Komatsuzaki Tamiki, Seibutsu Butsuri, 46, 2, S281, 2006
The Biophysical Society of Japan General Incorporated Association, English - 1P591 A discrete wavelet time series analysis; the hierarchy of dynamics of biomolecules(27. Molecular dynamics simulation,Poster Session,Abstract,Meeting Program of EABS & BSJ 2006)
Sato Sachiko; Baba Akinori; Komatsuzaki Tamiki, Seibutsu Butsuri, 46, 2, S294, 2006
The Biophysical Society of Japan General Incorporated Association, English - 27aTH-9 How to extract dynamical interaction between biomolecule and coarse-grained water
Noda Satoshi; Baba Akinori; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 61, 0, 348, 348, 2006
The Physical Society of Japan, Japanese - 23pRC-9 A Single molecular time series analysis based on distribution functions of the observable : local ergodic states assignment and reconstruction of the free energy landscape
Baba Akinori; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 61, 0, 249, 249, 2006
The Physical Society of Japan, Japanese - 28aTH-3 Collective motions of site dipole field of water and structural transition dynamics of biomolecules
Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 61, 0, 359, 359, 2006
The Physical Society of Japan, Japanese - 27aTH-7 State space landscape constructed from a set of single molecule time series : states and their reaction network structure
Li Chun Biu; Baba Akinori; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 61, 0, 347, 347, 2006
The Physical Society of Japan, Japanese - 27pXE-12 Nonergodicity of HCN isomerization reaction
Shojiguchi A.; Li Chun Biu; Komatsuzaki T.; Toda M., Meeting Abstracts of the Physical Society of Japan, 61, 0, 267, 267, 2006
The Physical Society of Japan, Japanese - 25aXF-5 Nonergodicity of HCN isomerization reaction 2
Shojiguchi A.; Li Chun Biu; Komatsuzaki T.; Toda M., Meeting Abstracts of the Physical Society of Japan, 61, 0, 217, 217, 2006
The Physical Society of Japan, Japanese - 1分子時系列の背後に潜む自由エネルギー曲面を如何に再構成するか?
2005 - 離散ウェーブレット変換を用いた一分子時系列における動力学の階層性の解析(The dynamical hierarchy of single molecule time series using a discrete wavelet transform analysis)
2005 - 生体分子の構造転移に伴う近傍の「水の場」の協同的運動(Collective motion of water field in the vicinity of the structural transition of biomolecule)
2005 - 多次元エネルギー地形の状態空間構造に基づく生体分子系の構造転移ダイナミクスの原理的理解(Understanding of the Origin of Transitions in Biological Molecules from the State Space Structures on Multi-dimensional Energy Landscapes)
2005 - 一分子時系列からの多次元自由エネルギー地形の再構築と分子記憶
2005 - タンパク質系の協調的運動に対するカオス時系列解析 (Chaotic time series analysis of collective motions in proteins)
2005 - 粗視化された「水の場」を用いたポリアラニンの構造転移に伴う水の集団運動の解析
2005 - 生体分子の一分子時系列情報に基づく遷移配列解析: 自由エネルギー面の再構成と分子記憶
2005 - Dynamical Reaction Conduit in Chaotic Multi-dimensional Phase Space: Molecular Motions and the Origin of Stochastic Transitions
2005 - 生体分子の構造変化における周囲の水の動態場に観測される流体力学的構造
2005 - HCNの異性化反応の非エルゴード性
2005 - 水の場としての集団運動と生体分子の構造転移ダイナミックス
2005 - 化学反応はなぜ生起するのか?:遷移状態概念再考
2005 - 生体分子と粗視化した水の動的相互作用の抽出
2005 - 高次元相空間における法双曲的不変多様体・安定(不安定)不変多様体が織り成す化学反応ネットワーク描像:蛋白質フォールディングのおける一方向性の力学的原理
2005 - なぜ、如何にして反応は生起するのか?:化学反応における選択性と統計性
2005 - 一分子時系列に基づく多次元自由エネルギーランドスケープと分子記憶
2005 - 1分子時系列情報から構成される状態空間構造:反応遷移ネットワーク構造
2005 - Dynamical Hierarchy in Transitions of ChemicalReactions:Definability of No-return Transition State
2005 - How does single molecule time series tell us about the underlying multidimensional free energy and state space landscapes?
2005 - Complexity of Dynamics on Multidimensional Energy Landscapes in Chemical reactions & Proteins
2005 - A construction of multidimensional free energy landscape from an ensemble of single molecule time series of biomolecules
2005 - Vibrational energy redistribution via geometrical structures in the multi-dimensional phase space of chemical reaction
2005 - How does a polypeptide give rise to the helix-coil transition with interacting the surrounding water field?
2005 - Geometrical structure of the multidimensional phase space transport in chemical reactions
2005 - Dynamical Hierarchy in Transitions of Chemical Reactions
2005 - Dynamical Hierarchy of Transitions in Chemical Reactions and Protein Dynamics
2005 - Chaotic Reaction Dynamics and the Phase Space Geometry of Multidimensional Chemical Reaction
物性研究, 84-3、481-482, 2005 - Dynamical Reaction Conduit in Chaotic Multi-dimensional Phase Space: Molecular Motions and the Origin of Stochastic Transitions
2005 - Dynamical Hierarchy in Transitions of ChemicalReactions:Definability of No-return Transition State
2005 - How does single molecule time series tell us about the underlying multidimensional free energy and state space landscapes?
2005 - Complexity of Dynamics on Multidimensional Energy Landscapes in Chemical reactions & Proteins
2005 - A construction of multidimensional free energy landscape from an ensemble of single molecule time series of biomolecules
2005 - Vibrational energy redistribution via geometrical structures in the multi-dimensional phase space of chemical reaction
2005 - How does a polypeptide give rise to the helix-coil transition with interacting the surrounding water field?
2005 - Geometrical structure of the multidimensional phase space transport in chemical reactions
2005 - Dynamical Hierarchy in Transitions of Chemical Reactions
2005 - Dynamical Hierarchy of Transitions in Chemical Reactions and Protein Dynamics
2005 - Chaotic Reaction Dynamics and the Phase Space Geometry of Multidimensional Chemical Reaction
2005 - Regularity in Chaotic Transitions on Two-Basin Landscapes' eds. by M.Toda, T.Komatsuzaki, T.Konishi, R.S. Berry and S.A. Rice,John-Wiley & Sons, Inc.
130-Part A 143-170, 2005 - Chaotic Reaction Dynamics and the Phase Space Geometry of Multi-dimensional Chemical Reaction(4) Quantum chaos and semiclassical theory in molecular science and nuclear theory, Chaos and Nonlinear Dynamics in Quantum-Mechanical and Macroscopic Systems) :
Li Chun-Biu; Toda Mikito; Komatsuzaki Tamiki, 物性研究, 84, 3, 481, 482, 2005
物性研究刊行会, English - 1SD06 Dynamical Foundation for Molecular Function of Proteins in the Multidimensional State Space Structure
Toda M.; Komatsuzaki T., Seibutsu Butsuri, 45, 0, S6, 2005
The Biophysical Society of Japan General Incorporated Association, English - 1P060 Chaotic time series analysis of collective motions in proteins
Matsunaga Y.; Biu Li Chun; Komatsuzaki T., Seibutsu Butsuri, 45, 0, S46, 2005
The Biophysical Society of Japan General Incorporated Association, Japanese - 1P065 Collective motion of water field vicinity of the structural transition of biomolecule
Noda S.; Baba A.; Komatsuzaki T., Seibutsu Butsuri, 45, 0, S48, 2005
The Biophysical Society of Japan General Incorporated Association, Japanese - 2P059 Understanding of the Origin of Transitions in Biological Molecules from the State Space Structures on Multi-dimensional Energy Landscapes
Li Chun Biu; Komatsuzaki T., Seibutsu Butsuri, 45, 0, S134, 2005
The Biophysical Society of Japan General Incorporated Association, English - 3P028 The dynamical hierarchy of single molecule time series using a discrete wavelet transform analysis
Sato S.; Baba A.; Komatsuzaki T., Seibutsu Butsuri, 45, 0, S210, 2005
The Biophysical Society of Japan General Incorporated Association, Japanese - 3P034 Reconstruction of multi-dimensional free energy landscape from single molecule time series and molecular memory
Baba A.; Komatsuzaki T., Seibutsu Butsuri, 45, 0, S212, 2005
The Biophysical Society of Japan General Incorporated Association, Japanese - 21pXG-6 Analysis of collective motion of water with structural transition in polyalanine in terms of coarse-grained water field
Noda Satoshi; Baba Akinori; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 60, 0, 243, 243, 2005
The Physical Society of Japan, Japanese - 21pXG-8 Transition sequence analysis for single molecule time series of biomolecules : multi-dimensional free energy surface reconstruction and molecular memory
Baba Akinori; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 60, 0, 244, 244, 2005
The Physical Society of Japan, Japanese - 生体高分子の構造転移キネテックスにおけるRuggednessによる加速現象
2004 - 生体分子系の構造転移ダイナミックスにおける複雑時系列解析
小松崎民樹, 電子情報通信学会大会講演論文集, 2004, 2004 - 生体分子ダイナミクスの状態空間幾何学:1分子時系列情報からわかること
2004 - 化学反応の動力学とカオスー現状と将来
2004 - タンパク質エネルギー地形における自由度の縮約化と時系列解析
星野恭子; 松永康佑; MILLER Mark A.; WALES David J.; 小松崎民樹, 分子構造総合討論会講演要旨集(CD-ROM), 2004, 2004 - タンパク質エネルギー地形における構造多様性と多次元エネルギー地形の新しい可視化手法
2004 - 「相空間構造に基づく多遷移反応動力学とメソスケールで発現する新規なダイナミックス」特定領域「強光子場」
2004 - What can a Single Molecule Time Series Data Tell Us? -Regularity in Structural Transitions on MultiBasin Energy Landscapes of Proteins-
2004 - Regularity in Chaotic Tramsitions on Multi-Basin Energy Landscapes
2004 - How can We Extract Dynamical Information from Time Series Data?
2004 - Geometrical Structure of Phase Space for Chemical Reaction Dynamics: What Kinds of Molecular Motions are Associated with Phase Space Modes in Chaos?
2004 - Geometrical Structure Buried in the Phase space of Stochastic Structural Transition: Perspectives from Time Series Analysis
2004 - Protein folding dynamics: ergodic behavior in principal component space
Y Matsunaga; T Komatsuzaki, SLOW DYNAMICS IN COMPLEX SYSTEMS, 708, 342, 343, 2004
English - Hierarchical regularity in multi-basin dynamics on protein landscapes
Y Matsunaga; KS Kostov; T Komatsuzaki, SLOW DYNAMICS IN COMPLEX SYSTEMS, 708, 302, 305, 2004
English - What can a Single Molecule Time Series Data Tell Us? -Regularity in Structural Transitions on MultiBasin Energy Landscapes of Proteins-
2004 - Regularity in Chaotic Tramsitions on Multi-Basin Energy Landscapes
2004 - How can We Extract Dynamical Information from Time Series Data?
2004 - Geometrical Structure of Phase Space for Chemical Reaction Dynamics: What Kinds of Molecular Motions are Associated with Phase Space Modes in Chaos?
2004 - Geometrical Structure Buried in the Phase space of Stochastic Structural Transition: Perspectives from Time Series Analysis
2004 - A coarse-graining of energy landscape of proteins - Structural stability of the most stable states
K Hoshino; Y Matsunaga; M Miller; DJ Wales; T Komatsuzaki, SLOW DYNAMICS IN COMPLEX SYSTEMS, 708, 344, 345, 2004
English - A coarse-graining of energy landscape of proteins - Structural stability of the most stable states
K Hoshino; Y Matsunaga; M Miller; DJ Wales; T Komatsuzaki, SLOW DYNAMICS IN COMPLEX SYSTEMS, 708, 344, 345, 2004
English - 3P082 The acceleration effect of Ruggedness for the conformation transition kinetics of bio-macromolecular
Shimono M.; Komatsuzaki T., Seibutsu Butsuri, 44, 0, S210, 2004
The Biophysical Society of Japan General Incorporated Association, Japanese - Extracting dynamical information about protein folding from time series analysis.
K Kostov; M Toda; Y Matsunaga; T Komatsuzaki, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 226, U427, U427, Sep. 2003
English, Summary international conference - 祖視化されたスケールで現れる隠れたコヒーレンス:46ビーズ蛋白質おもちゃの場合・Steven Chuらのリボザイムのdocked-undocked state間転移の研究の紹介
2003 - タンパク質エネルギー地形における自由度の縮約化
2003 - タンパク質フォールディングのダイナミックス:主成分空間のエルゴード性
2003 - 1分子時系列情報に基づく生体分子の構造転移パスウェイの多重性・多型性解析
2003 - 水の場としての集団運動と生体分子の構造転移ダイナミックス
2003 - 生体分子時系列情報からの状態空間の再構成と主成分解析
星野恭子; 松永康佑; 小松崎民樹, 分子構造総合討論会講演要旨集(CD-ROM), 2003, 2003 - 1分子時系列の背後に潜む自由エネルギー曲面を如何に再構成するか?
2003 - Protein folding dynamics : ergodic behavior in principal component space
Matsunaga Y.; Komatsuzaki T., Seibutsu Butsuri, 43, 0, S92, 2003
The Biophysical Society of Japan General Incorporated Association, Japanese - Non-stationarity and non-Markovianity of foldings in small proteins
Hoshino Kyoko; Matsunaga Ysuhiro; Koga Nobuyasu; Takada Shoji; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 58, 0, 334, 334, 2003
The Physical Society of Japan, Japanese - Protein Folding Dynamics : dynamical effect of solvents
Matsunaga Yasuhiro; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 58, 0, 356, 356, 2003
The Physical Society of Japan, Japanese - Coherence emerging at a Coarse-Grained Scale in Protein foldings
Komatsuzaki Tamiki; Matsunaga Yasuhiro; Toda Mikito, Meeting Abstracts of the Physical Society of Japan, 58, 0, 356, 356, 2003
The Physical Society of Japan, Japanese - 「揺らぐ」世界における力学的決定性--化学反応系はなぜ活性化障壁を越えるのか (複雑な多谷ポテンシャルエネルギー面上で生起する動力学的諸問題--力学的決定性と統計性の中間領域を探る(2))
小松崎 民樹, 物性研究, 78, 4, 354, 364, Jul. 2002
この論文は国立情報学研究所の電子図書館事業により電子化されました。, 物性研究刊行会, Japanese - ファネル談義--なぜ蛋白質は一義的に効率よく折り畳むのでしょうかね?
笹井 理生; 小松崎 民樹; 戸田 幹人, 物性研究, 78, 4, 475, 509, Jul. 2002
この論文は国立情報学研究所の電子図書館事業により電子化されました。, 物性研究刊行会, Japanese - タンパク質フォールディングのダイナミックス-異常拡散と動的相関
松永康佑; 小松崎民樹, 情報計算化学生物学会大会論文集, 3rd, 2002 - Off-Latticeビーズモデルに基づく蛋白質ダイナミックス 非定常性,非マルコフ性,および次元性
松永康佑; KOSTOV K; 小松崎民樹, 分子構造総合討論会講演要旨集, 2002, 2002 - 1K1715 Multi-Basin Dynamics in Off-Lattice Minimalist Protein Landscapes
Matsunaga Y.; Komatsuzaki T., Seibutsu Butsuri, 40th, 2, S66, 2002
The Biophysical Society of Japan General Incorporated Association, Japanese - Dynamics of Protein Folding. Abnormal Diffusion and Hierarchical Regularity.
小松崎民樹; 松永康佑, 生物物理, 42, 6, 285, 289, 2002
The observed kinetics of protein folding is a consequence of averaging over an ensemble of many activated barrier crossings with multiple time scales. The future of the recent remarkable experimental developments in single molecule spectroscopy holds great promise to reveal the complexity of protein folding dynamics. A few theoretical possible means to address and clarify the dynamical complexity such as abnormal diffusion of a protein are presented.
, The Biophysical Society of Japan General Incorporated Association, Japanese - Hierarchical Regularity in Transition States: Neither Diffusive nor Ballistic Transition.
小松崎民樹; BERRY R S, 分子構造総合討論会講演要旨集, 2001, 2001 - Cooperative Motions in Proteins: Randomness and Regularity.
松永康佑; 小松崎民樹, 日本化学会講演予稿集, 79th, 1, 2001 - Hierarchical Regularity in Protein Folding Dynamics.
松永康佑; 小松崎民樹, 分子構造総合討論会講演要旨集, 2001, 2001 - 化学反応の「揺らぐ」世界における力学的決定性 70年来の「非再交差仮説」の解決
小松崎民樹, 物性研究, 76, 1, 1, 44, 2001
この論文は国立情報学研究所の電子図書館事業により電子化されました。, 物性研究刊行会, Japanese - Mechanical Determinism in "Fluctuating" World of Chemical Reactions
Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 56, 0, 211, 211, 2001
The Physical Society of Japan, Japanese - Hierarchical Reularity and Energy Landscape in Protein Folding Dynamics
Matsunaga Yasuhiro; Komatsuzaki Tamiki, Meeting Abstracts of the Physical Society of Japan, 56, 0, 272, 272, 2001
The Physical Society of Japan, Japanese - Hierarchical Regularity in Transition States and Bottleneck Structure in Many-Body Phase Space.
小松崎民樹; BERRY R S, 分子構造総合討論会講演要旨集, 2000, 2000 - Regularity in chaotic reaction paths II: Ar-6. Energy dependence and visualization of the reaction bottleneck
T Komatsuzaki; RS Berry, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1, 6, 1387, 1397, Mar. 1999
English - Hierarchical Structure on Regular-Chaotic Motions in Transition State Region. True Reaction Coordinate buried in Chaotic Sea in Phase Space.
小松崎民樹; BERRY R S, 分子構造総合討論会講演要旨集, 1999, 1999 - Study on Regularity of Isomerization Dynamics of Ar6 Cluster.
小松崎民樹; BERRY R S, 日本物理学会講演概要集(年会), 53, 1, 702, 702, 1998
The Physical Society of Japan, Japanese - Study on ”Regularity” of Barrier Recrossing Motions in Chemical Reactions.
小松崎民樹; 長岡正隆, 分子構造総合討論会講演要旨集, 1996, 1996 - Research on approximate integrability of re-crossing (recrossing) motion in chemical reaction system with multiple degrees of freedom.
小松崎民樹; 長岡正隆; HAENGGI P, 物性研究, 66, 5, 1039, 1049, 1996
この論文は国立情報学研究所の電子図書館事業により電子化されました。ポスター, 物性研究刊行会, Japanese - Study on Nonlinear Effect in Chemical Reaction in Many-Body System.
小松崎民樹; 長岡正隆; HAENGGI P, 分子構造総合討論会講演要旨集, 1995, 1995 - Ion-Pair Formation and Electronic Spectra of Pictate Ion.
沢田清; 千明史枝; 佐藤敬一; 小松崎民樹, 溶液化学シンポジウム講演要旨集, 17th, 1994 - 電子密度汎関数理論における分子内原子の方法を用いた新しい分子動力学法の研究 水中におけるプロトン輸送を例に
小松崎民樹; 大峰巌, 分子構造総合討論会講演要旨集, 1993, 1993 - 水中におけるプロトン移動反応のポテンシャル面の解析 ダイナミクスに対する一考察
小松崎民樹; 大峰巌, 分子構造総合討論会講演要旨集, 1992, 1992 - 試薬の攻撃方向を加味した新しい立体置換基定数の計算とその立体効果の異方性への応用
赤井郁雄; 小松崎民樹; 榊原和久; 広田穣, 日本化学会講演予稿集, 63rd, 2, 1992 - Quantitative evaluation of steric effect by molecular mechanics. Proposal of a new steric substituent parameter Ωs.
広田穣; 榊原和久; 小松崎民樹; 赤井郁雄, 基礎有機化学連合討論会予稿集, 10th, 1990
- Minorities and Small Numbers from Molecules to Organisms in Biology-Toward a New Understanding of Biological Phenomena
KOMATSUZAKI TAMIKI, Chapter 5 "The Personality of Small Numbers: Do Molecules Have Personality?"
Springer, Nov. 2018, [Peer-reviewed], [Single work] - 化学反応理論の普遍性:GRRMに期するもの
小松崎 民樹
IQCE NEWS (量子化学探索研究所), 2018, [Peer-reviewed], [Single work] - 【少数性生物学ってなんだ?少数の因子が生命システムを制御する】少数と個性 分子の数と生命らしさ
冨樫 祐一; 新海 創也; 小松崎 民樹, 実験医学
(株)羊土社, Dec. 2017, 35巻19号 3190-3196, Japanese, 従来の生化学における反応の考え方は、酵素など、反応にかかわる物質の濃度に基づいている。この「濃度」の概念は、各成分が莫大な数の無個性な分子の集まりであることを前提としている。ところが、生体分子のなかには、細胞あたり1〜数個しかないものや、個々の分子が「個性」をもつとされるものもある。われわれは、数理モデルに基づく予言や、計測データの詳細な解析により、少数分子とその個性が反応にもたらす効果を明らかにしようとしてきた。その一端を紹介する。(著者抄録) - 少数性生物学
小松崎 民樹, 第5章「少数の個性~分子にも個性?~」
株式会社 日本評論社, 2017, [Peer-reviewed], [Joint work] - Advances in Chemical Physics
Meysam Tavakoli; J. Nicholas Taylor; Chun-Biu Li; Tamiki Komatsuzaki; Steve Pressé, Single Molecule Data Analysis: An Introduction
Wiley, 2017, [Internationally co-authored], [Peer-reviewed], [Joint work] - Single Molecule Data Analysis: An Introduction
Meysam Tavakoli; J. Nicholas Taylor; Chun-Biu Li; Tamiki Komatsuzaki; Steve Pressé
01 Jun. 2016, We review methods of data analysis for biophysical data with a special
emphasis on single molecule applications. Our review is intended for anyone,
from student to established researcher. For someone just getting started, we
focus on exposing the logic, strength and limitations of each method and cite,
as appropriate, the relevant literature for implementation details. We review
traditional frequentist and Bayesian parametric approaches to data analysis and
subsequently extend our discussion to recent non-parametric and information
theoretic methods., [Peer-reviewed], [Joint work] - 化学反応の行き先を変える“スイッチ”─エネルギーの上昇で反応経路が切り替わる新現象
寺本 央; 戸田 幹人; 河野 裕彦; 高橋 正彦; 小松崎 民樹
月刊「化学」71(5), 2016, [Joint work] - Dynamics of chemical reaction around a saddle point: What divides reacting and non-reacting trajectories?
Shinnosuke Kawai; Tamiki Komatsuzaki
RSC Theoretical and Computational Chemistry Series, 27 Mar. 2014, 154-179, [Joint work] - Dynamics of Chemical Reaction around a Saddle Point - What divides reacting and non-reacting trajectories?
Shinnosuke Kawai; Tamiki Komatsuzaki, Reaction Rate Constant Computations; Theories and Applications, CHAPTER 7
RSC Publishing, Nov. 2013, [Joint work] - Lagrangian coherent structures : the hidden skeleton of fluid flows
ピーコック トーマス; ハラー ジョージ; 小松崎 民樹, パリティ
丸善, Nov. 2013, 28巻11号 4-12 - ラグランジュ協同構造―流体の流れに隠れた骨格
小松崎 民樹
2013, [Single translation] - Reaction Rate Constant Computations; Theories and Applications
Shinnosuke Kawai; Tamiki Komatsuzaki, Dynamics of Chemical Reaction around a Saddle Point - What divides reacting and non-reacting trajectories?
RSC, 2013, [Joint work] - SINGLE-MOLECULE BIOPHYSICS EXPERIMENT AND THEORY ADVANCES IN CHEMICAL PHYSICS VOLUME 146 PREFACE
T. Komatsuzaki; M. Kawakami; S. Takahashi; H. Yang; R. J. Silbey
SINGLE-MOLECULE BIOPHYSICS: EXPERIMENT AND THEORY, 2012, Vol. 146, XIII-XV, © 2012 by John Wiley & Sons, Inc. All rights reserved. Discover the experimental and theoretical developments in optical single-molecule spectroscopy that are changing the ways we think about molecules and atoms. The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This latest volume explores the advent of optical single-molecule spectroscopy, and how atomic force microscopy has empowered novel experiments on individual biomolecules, opening up new frontiers in molecular and cell biology and leading to new theoretical approaches and insights. Organized into two parts-one experimental, the other theoretical-this volume explores advances across the field of single-molecule biophysics, presenting new perspectives on the theoretical properties of atoms and molecules. Single-molecule experiments have provided fresh perspectives on questions such as how proteins fold to specific conformations from highly heterogeneous structures, how signal transductions take place on the molecular level, and how proteins behave in membranes and living cells.This volume is designed to further contribute to the rapid development of single-molecule biophysics research. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics., [Joint work] - MULTIDIMENSIONAL ENERGY LANDSCAPES IN SINGLE-MOLECULE BIOPHYSICS
Akinori Baba; Tamiki Komatsuzaki
WILEY-BLACKWELL, 2012, Vol. 146, 299-327, [Joint work] - Advances in Chemical Physics 146
Akinori Baba; Tamiki Komatsuzaki, Multidimensional Energy Landscapes in Single Molecule Biophysics
John-Wiley& Sons, Inc., 2012, [Joint work] - Preface
Tamiki Komatsuzaki; Tamiki Komatsuzaki; Masaru Kawakami; Masaru Kawakami; Satoshi Takahashi; Satoshi Takahashi; Haw Yang; Robert J. Silbey, Single Molecule Biophysics: Experiment and Theory
Wiley, 23 Nov. 2011, Vol. 146 - PREFACE
Tamiki Komatsuzaki; R. Stephen Berry; David M. Leitner, Advances in Chemical Physics
Elsevier, 01 Jul. 2011, Vol. 145 xi-xii - 法双曲不変多様体崩壊のシナリオ (力学系--理論から応用へ、応用から理論へ--RIMS研究集会報告集)
寺本 央; 小松崎 民樹, 数理解析研究所講究録
京都大学数理解析研究所, May 2011, 1742巻1742号 127-136 - ERGODIC PROBLEMS FOR REAL COMPLEX SYSTEMS IN CHEMICAL PHYSICS
Tamiki Komatsuzaki; Akinori Baba; Shinnosuke Kawai; Mikito Toda; John E. Straub; R. Stephen Berry
WILEY-BLACKWELL, 2011, Vol. 145, 171-220 - NON-BROWNIAN PHASE SPACE DYNAMICS OF MOLECULES, THE NATURE OF THEIR VIBRATIONAL STATES, AND NON-RRKM KINETICS
David M. Leitner; Yasuhiro Matsunaga; Chun-Biu Li; Tamiki Komatsuzaki; Akira Shojiguchi; Mikito Toda
WILEY-BLACKWELL, 2011, Vol.145, 83-122 - Extracting the underlying unique reaction scheme from a single-molecule time series
Chun Biu Li; Tamiki Komatsuzaki
Springer Netherlands, 2011, 221-263, Single molecule spectroscopy provides us with a new means to look deeply into the question of how an individual molecule behaves when performing biological functions in a thermally fluctuating environment. However, what information one can extract from the observed data is still an open question. We overview our new method which extracts the underlying reaction scheme, a state-space network (SSN), from the time series data of an experimental measurement. We demand that a time series analysis should provide not only an interpretation of the dynamical behavior but also provide new insights into biological functions buried in ensemble-based measurements. Our method is based on the combination of information theory and Wavelet multiresolution decomposition analysis. The resultant reaction scheme does not rely on an a priori ansatz like local equilibrium and detailed balance. It is mathematically assured as unique, minimally complex and stochastic, but best predictive. We demonstrate the potential of this method by applying it to the analysis of an anomalous conformation in Flavin oxidoreductase dependent on the timescale of observation. We also discuss future perspectives concerning its use as a new means for the exploration of single molecule biophysics. © Springer Science+Business Media B.V. 2011. - ADVANCING THEORY FOR KINETICS AND DYNAMICS OF COMPLEX, MANY-DIMENSIONAL SYSTEMS: CLUSTERS AND PROTEINS PREFACE
Tamiki Komatsuzaki; R. Stephen Berry; David M. Leitner, ADVANCING THEORY FOR KINETICS AND DYNAMICS OF COMPLEX, MANY-DIMENSIONAL SYSTEMS: CLUSTERS AND PROTEINS: ADVANCES IN CHEMICAL PHYSICS
WILEY-BLACKWELL, 2011, VOL 145, XI-XII, © 2011 by John Wiley & Sons, Inc. All rights reserved. This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 145 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers., [Peer-reviewed] - DYNAMICAL REACTION THEORY BASED ON GEOMETRIC STRUCTURES IN PHASE SPACE
Shinnosuke Kawai; Hiroshi Teramoto; Chun-Biu Li; Tamiki Komatsuzaki; Mikito Toda, ADVANCING THEORY FOR KINETICS AND DYNAMICS OF COMPLEX, MANY-DIMENSIONAL SYSTEMS: CLUSTERS AND PROTEINS: ADVANCES IN CHEMICAL PHYSICS
WILEY-BLACKWELL, 2011, Vol.145, 123-169 - Advances in Chemical Physics 145
David M. Leitner; Yasuhiro Matsunaga; Akira Shojiguchi; Chun-Biu Li; Tamiki Komatsuzaki; Mikito Toda, Non-Brownian Phase Space Dynamics of Molecules, the Nature of their Vibrational States, and non-RRKM Kinetics
2011, [Joint work] - Cell Signaling Reactions: Single-Molecular Kinetic Analysis
Chun Biu Li; Tamiki Komatsuzaki, Extracting the Underlying Unique Reaction Scheme from a Single-Molecule Time Series
Springer, 2011, [Joint work] - Preface
Mikito Toda; Tamiki Komatsuzaki; Tetsuro Konishi; R. Stephen Berry; Stuart A. Rice; Stuart A. Rice, Geometric Structures of Phase Space in Multidimensional Chaos: Applications to Chemical Reaction Dynamics in Complex Systems
Wiley, 12 May 2005, Vol. 130 - Geometric Structures of Phase Space in Multidimensional Chaos: Applications to Chemical Reaction Dynamics in Complex Systems
Mikito Toda; Tamiki Komatsuzaki; Tetsuro Konishi; R. Stephen Berry; Stuart A. Rice, Geometric Structures of Phase Space in Multidimensional Chaos: Applications to Chemical Reaction Dynamics in Complex Systems
Wiley Blackwell, 12 May 2005, Vol. 130, 1-542, This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 130 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers. - Regularity in Chaotic Transitions on Two-Basin Landscapes
Tamiki Komatsuzaki; R. Stephen Berry, Advances in Chemical Physics
21 Jan. 2005, Vol. 130 143-170 - Advances in Chemical Physics 130(A)
Tamiki Komatsuzaki; R. Stephen Berry, Regularity in Chaotic Transitions on Two-Basin Landscapes
2005, [Joint work] - Advances in Chemical Physics 130(B)
Tamiki Komatsuzaki; Kyoko Hoshino; Y. Matsunaga, Regularity in Chaotic Transitions on Multi-Basin Landscapes
2005, [Joint work] - Advances in Chemical Physics 130A, 130B
M. Toda; T. Komatsuzaki; T. Konishi; R. S. Berry; S. A. Rice, Geometric Structures of Phase Space in Multi-Dimensional Chaos: Applications to Chemical Reaction Dynamics in Complex Systems
John-Wiley & Sons, Inc., 2005, [Joint editor] - Chemical reaction dynamics: Many-body chaos and regularity
T Komatsuzaki; RS Berry, ADVANCES IN CHEMICAL PHYSICS
JOHN WILEY & SONS INC, 2002, VOL 123, 79-152 - Advances in Chemical Physics 123
Tamiki Komatsuzaki; R. Stephen Berry, Chemical Reaction Dynamics: Many-Body Chaos and Regularity
John-Wiley & Sons, Inc., 2002, [Joint work]
- Machine Learning-based Multi-objective Optimization of reaction condition of 211At Astatination Reactions
Tomoyuki Kitano; Shunnichi Hashiba; Nozomi Ando; Keita Iida; Akari Mukaimine; Yuta Mizuno; Koji Tabata; Kohei Nakajima; Tamiki Komatsuzaki; Mikako Ogawa
41th Symposium on Chemical Kinetics and Dynamics, 04 Jun. 2026, English, Poster presentation
02 Jun. 2026 - 04 Jun. 2026 - Quantifying the Contribution of Nonreactive Modes to Reaction Dynamics in Phase Space: Analytical Prediction of the Passage Time τ near a Saddle Point
Ryo Kurahashi; Li Jizhou; Ryoichi Tanaka; Umair UMER; Yutaka Nagahata; Yuta Mizuno; Tamiki Komatsuzaki
41th Symposium on Chemical Kinetics and Dynamics, 03 Jun. 2026, English, Poster presentation
02 Jun. 2026 - 04 Jun. 2026 - Machine-learning extraction of reaction coordinates and transition states in phase space
Takuto Noda; Md. Al Mehedi Hasan; Li Jizhou; Tamiki Komatsuzaki
41th Symposium on Chemical Kinetics and Dynamics, 03 Jun. 2026, English, Poster presentation
02 Jun. 2026 - 04 Jun. 2026 - Measurements meet AI: preprocessing and AI-intervening Raman microscopy I
Tamiki Komatsuzaki
1st Japan–Poland Joint Seminar on Methods and Applications of Multimodal Data Analysis, 17 Apr. 2026, English, Oral presentation
13 Apr. 2026 - 17 Apr. 2026 - Beyond the nucleus: cytoplasmic dominance in follicular thyroid carcinoma detection using single-cell Raman imaging across multiple devices
Tamiki Komatsuzaki
SPIE Photonics Europe, 13 Apr. 2026, English, Invited oral presentation
12 Apr. 2026 - 16 Apr. 2026, [Invited] - Sparse reconstruction algorithm for rapid raman imaging
Jean-Emmanuel Clémen; Shunsuke Ono; Katsumasa Fujita; Tamiki Komatsuzaki
SPIE Photonics Europe, 12 Apr. 2026, English, Invited oral presentation
12 Apr. 2026 - 16 Apr. 2026, [Invited] - 機械学習を用いた相空間上の反応座標と遷移状態の抽出方法の開拓:Müller-Brownポテンシャル を用いた検証
野田 拓斗; Md. Al Mehedi Hasan; 田中 綾一; Li Jizhou; 小松崎 民樹
計算物理春の学校2026, 11 Mar. 2026, Japanese, Poster presentation
09 Mar. 2026 - 13 Mar. 2026 - 相空間で定量評価する非反応性モードの反応寄与 ―局所滞在時間 τ の解析予測―
倉橋 諒; Jizhou Li; 田中 綾一; Umair UMER; 永幡 裕; 水野 雄太; 小松崎 民樹
計算物理春の学校2026, 11 Mar. 2026, Japanese, Poster presentation
09 Mar. 2026 - 13 Mar. 2026 - テンソルトレイン分解と分割演算子法による古典リウヴィル方程式の数値解法
北野 鵬志; 高橋 拓矢; 田中 綾一; 小松崎 民樹; 水野 雄太
計算物理春の学校2026, 11 Mar. 2026, Japanese, Poster presentation
09 Mar. 2026 - 13 Mar. 2026 - Noise-Aware Deep Learning for Reliable 3D Drosophila Image Classification
Md. Humaun Kabir; Md. Al Mehedi Hasan; Walker Peterson; Koji Tabata; Masahiro Sonoshita; Keisuke Goda; Tamiki Komatsuzaki
2025年度日本生物物理学会北海道支部-東北支部合同例会, 06 Mar. 2026, English, Oral presentation
06 Mar. 2026 - 06 Mar. 2026 - Integration of Chemical and Spatial Information in Raman imaging Improves Discrimination of Non-Alcoholic Steatohepatitis States
Ryoya Kondo; Yuta Mizuno; Kentaro Mochizuki; Gosuke Hashimoto; Jean-Emmanuel Clemen; Kumamoto Yasuaki; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
The 12th Asian Biophysics Association Symposium 2026, 13 Jan. 2026, English, Poster presentation
12 Jan. 2026 - 14 Jan. 2026 - Learning Illumination: How AI Learns to See Phenotypes in Raman measurements
Tamiki Komatsuzaki
NYCU AC Colloquium of 2025, 12 Dec. 2025, English, Invited oral presentation
12 Dec. 2025 - 12 Dec. 2025, [Invited] - Risk-Averse Best Arm Set Identification with Fixed Budget and Fixed Confidence
Shunta Nonaga; Koji Tabata; Yuta Mizuno; Tamiki Komatsuzaki
The 17th Asian Conference on Machine Learning(ACML2026), 09 Dec. 2025, English, Poster presentation
09 Dec. 2025 - 12 Dec. 2025 - Integrative Deep Learning Framework for Drug Screening Using 3D Imaging of Drosophila Cancer Models
Md. Al Mehedi Hasan; Jean-Emmanuel Clemen; Walker Peterson; Tsubasa Kobayashi; Soichiro Hata; Takuya Otsuka; Koji Tabata; Masahiro Sonoshita; Keisuke Goda; Tamiki Komatsuzaki
Japan–Taiwan–India Symposium on Materials & Information Science for Future Electronics, Jointed with the 26th RIES–HOKUDAI International Symposium, 27 Nov. 2025, English, Poster presentation
26 Nov. 2025 - 27 Nov. 2025 - Clean Sample Selection-Based 3D Image Classification Using Deep Neural Networks
Md. Humaun Kabir; Md. Al Mehedi Hasan; Walker Peterson; Koji Tabata; Masahiro Sonoshita; Keisuke Goda; Tamiki Komatsuzaki
Japan–Taiwan–India Symposium on Materials & Information Science for Future Electronics, Jointed with the 26th RIES–HOKUDAI International Symposium, 27 Nov. 2025, English, Poster presentation
26 Nov. 2025 - 27 Nov. 2025 - Measurements meet AI: preprocessing and AI-intervening Raman microscopy
Tamiki Komatsuzaki
Seminar at Institute of Physical Chemistry and Abbe Center of Photonics (IPC/ACP), 19 Nov. 2025, English, Invited oral presentation
19 Nov. 2025 - 19 Nov. 2025, [Invited] - ガウス過程に基づく事後分布サンプリングを用いた能動的CTスキャン方式
孫 宏謀; 本多 淳也; 工藤 博幸; 小松崎 民樹
第28回情報論的学習理論ワークショップ (IBIS2025), 13 Nov. 2025, Japanese, Poster presentation
12 Nov. 2025 - 15 Nov. 2025 - How can AI accelerate via adaptive optimization of the illumination pattern on the fly in Raman microscopy?
Tamiki Komatsuzaki
Seminar at LASIRE Univ de Lille, 14 Nov. 2025, English, Invited oral presentation
14 Nov. 2025 - 14 Nov. 2025, [Invited] - 一次反応ネットワークにおける時間階層の包括的表現法
永幡 裕; 小林 正人; 戸田 幹人; 前田 理; 武次 徹也; 小松崎 ⺠樹
日本コンピュータ化学会2025年秋季年会, 08 Nov. 2025, Japanese, Oral presentation
07 Nov. 2025 - 09 Nov. 2025 - Good/Bad Sample Classification Using a Label-Noisy 3D Image Dataset of Drosophila.
Md. Humaun Kabir; Md. Al Mehedi Hasan; Koji Tabata; Masahiro Sonoshita; Keisuke Goda; Tamiki Komatsuzaki
Drosophila Screening Camp & Beyond 2025, 30 Oct. 2025, English, Oral presentation
30 Oct. 2025 - 01 Nov. 2025 - 識別精度を保証するオンザフライ・ラマン顕微鏡
小松崎 民樹
レーザ顕微鏡研究会・医用分光学研究会 合同研究会, 24 Oct. 2025, Japanese, Invited oral presentation
23 Oct. 2025 - 25 Oct. 2025, [Invited] - 小松崎 民樹
個体差に由来する薬効分布を反映した多目的最適化多腕バンディット手法の展開
研究会「理論と実験」2025, 09 Oct. 2025, Japanese, Invited oral presentation
09 Oct. 2025 - 09 Oct. 2025, [Invited] - 計測介入型AIが拓く生物学の展開 Unveiling New Frontiers in Biology with Measurement-Intervening AI
小松崎 民樹
第63回日本生物物理学会年会, 26 Sep. 2025, English, Public symposium
24 Sep. 2025 - 26 Sep. 2025 - Ensemble of Deep Neural Network Models for Drug Screening Using 3D Images of Drosophila Larvae
Md Al Mehedi Hasan; Jean-Emmanuel Clemen; Walker Peterson; Tsubasa Kobayashi; Soichiro Hata; Takuya Otsuka; Koji Tabata; Masahiro Sonoshita; Keisuke Goda; Tamiki Komatsuzaki
第63回日本生物物理学会年会, 25 Sep. 2025, English, Poster presentation
24 Sep. 2025 - 26 Sep. 2025 - 量子動的モード分解アルゴリズムを用いた力学系解析法
水野雄太; 北野鵬志; 小松崎民樹
日本物理学会 第80回年次大会, 17 Sep. 2025, Japanese, Oral presentation
16 Sep. 2025 - 19 Sep. 2025 - テンソルネットワークによる古典リウヴィル方程式の数値解法
北野鵬志; 高橋拓矢; 田中綾一; 小松崎民樹; 水野雄太
日本物理学会 第80回年次大会, 17 Sep. 2025, Japanese, Oral presentation
16 Sep. 2025 - 19 Sep. 2025 - リー正準変換摂動理論による実在分子の化学反応動力学における反応座標解析
田中 綾一; 水野 雄太; ウメル ウメール; ストウブ ルーベン; 武次 徹也; 小松崎 民樹
第19回分子科学討論会2025, 10 Sep. 2025, Japanese, Oral presentation
09 Sep. 2025 - 12 Sep. 2025 - 多目的最適化による求核性211Atアスタチン化の反応条件探索
北野 鵬志; 水野 雄太; 向峯 あかり; 橋場 峻一; 中島 孝平; 田畑 公次; 小川 美香子; 小松崎 民樹
第19回分子科学討論会2025, 09 Sep. 2025, Japanese, Poster presentation
09 Sep. 2025 - 12 Sep. 2025 - 計測介⼊型インフォマティクスの未来展望
小松崎 民樹
CREST「社会課題解決を志向した⾰新的計測・解析システムの創出」領域 計測インフォマティクスシンポジウム, 11 Sep. 2025, Japanese, Oral presentation
11 Sep. 2025 - 11 Sep. 2025 - AI-Driven Acceleration of Phenotypic Classification: on-the-fly Raman microscopy
Tamiki Komatsuzaki
Seminar at department of chemistry, 29 Jul. 2025, English, Invited oral presentation
29 Jul. 2025 - 29 Jul. 2025, [Invited] - 化学反応動力学・速度論の作用素論的力学系解析
水野 雄太; 北野 鵬志; 小松崎 民樹
第27回理論化学討論会, 24 Jul. 2025, Japanese, Poster presentation
22 Jul. 2025 - 24 Jul. 2025 - AI in Biology: Optimizing Measurements and Detecting Cell-Cell Interactions
Tamiki Komatsuzaki
Telluride Workshop ''The Complexity of Dynamics and Kinetics from Single Molecules to Cells'', 09 Jun. 2025, English, Invited oral presentation
09 Jun. 2025 - 13 Jun. 2025, [Invited] - Real-Time AI in Biology: Optimizing Measurements and Detecting Cell-Cell Interactions
Tamiki Komatsuzaki
Telluride Workshop ''The Complexity of Dynamics and Kinetics from Single Molecules to Cells'', 09 Jun. 2025, English, Invited oral presentation
09 Jun. 2025 - 13 Jun. 2025, [Invited] - Multi-objective Blackbox Optimization of Reaction Conditions of Nucleophilic 211At-astatination
Tomoyuki Kitano; Yuta Mizuno; Akari Mukaimine; Shunnichi Hashiba; Kohei Nakajima; Koji Tabata; Mikako Ogawa; Tamiki Komatsuzaki
40th Symposium on Chemical Kinetics and Dynamics, 05 Jun. 2025, English, Oral presentation
04 Jun. 2025 - 06 Jun. 2025 - An encompassed representation of timescale hierarchies in first-order reaction network
Nagahata Yutaka; Kobayashi Masato; Toda Mikito; Maeda Satoshi; Taketsugu Tetsuya; Komatsuzaki Tamiki
40th Symposium on Chemical Kinetics and Dynamics, 04 Jun. 2025, English, Oral presentation
04 Jun. 2025 - 06 Jun. 2025 - 時間予算制約と行動予算制約下におけるバンディットアルゴリズム
菊池 健太; 田畑 公次; 小松崎 民樹
2025年度人工知能学会全国大会(第39回), 29 May 2025, Japanese, Poster presentation
27 May 2025 - 30 May 2025 - Trackingアルゴリズムを用いたバンディットオンラインクラスタリング
瀧川 颯士; 田畑 公次; 小松崎 民樹
2025年度人工知能学会全国大会(第39回), 28 May 2025, Japanese, Poster presentation
27 May 2025 - 30 May 2025 - 線形バンディットを用いた高次元ベイズ最適化アルゴリズム
野村 祐介; 田畑 公次; 小松崎 民樹
2025年度人工知能学会全国大会(第39回), 28 May 2025, Japanese, Poster presentation
27 May 2025 - 30 May 2025 - 固定信頼度設定下におけるリスク回避型多目的バンディット
野永 竣太; 田畑 公次; 水野 雄太; 小松崎 民樹
2025年度人工知能学会全国大会(第39回), 27 May 2025, Japanese, Oral presentation
27 May 2025 - 30 May 2025 - 分子動力学における時間発展演算子のテンソルネットワークによる縮約
北野 鵬志; 水野 雄太; 小松崎 民樹
第47回 ケモインフォマティクス 討論会, 17 Dec. 2024, Japanese, Poster presentation
17 Dec. 2024 - 18 Dec. 2024 - Detecting existence of a hidden mediator between a pair of individual time series
Md. Mohiuddin; Udoy S. Basak; Sulimon Sattari; Tamiki Komatsuzaki
25th RIES-HOKUDAI International Symposium, 10 Dec. 2024, English, Poster presentation
10 Dec. 2024 - 10 Dec. 2024 - The Method for Finding Optimal Drugs While Reducing Risk
Shunta Nonaga; Koji Tabata; Yuta Mizuno; Tamiki Komatsuzaki
25th RIES-HOKUDAI International Symposium, 10 Dec. 2024, English, Poster presentation
10 Dec. 2024 - 10 Dec. 2024 - Efficient Maximum Tolerated Dose Estimation Using a Bandit Algorithm
Ryosuke Takami; Udoy S. Basak; Koji Tabata; Yayoi Wada; Masahiro Sonoshita; Tamiki Komatsuzaki
25th RIES-HOKUDAI International Symposium, 10 Dec. 2024, English, Poster presentation
10 Dec. 2024 - 10 Dec. 2024 - Enumeration Approach to Atom-to-Atom Mapping Accelerated by Ising Computing
Mohammad Ali; Yuta Mizuno; Seiji Akiyama; Yuuya Nagata; Tamiki Komatsuzaki
25th RIES-HOKUDAI International Symposium, 10 Dec. 2024, English, Poster presentation
10 Dec. 2024 - 10 Dec. 2024 - Transfer Learning Based Deep Convolution Neural Network Model for Tumor Screening Using 3D Images of Drosophila
Md. Al Mehedi Hasan; Jean-Emmanuel Clemen; Walker Peterson; Tsubasa Kobayashi; Soichiro Hata; Takuya Otsuka; Masahiro Sonoshita; Keisuke Goda; Tamiki Komatsuzaki
25th RIES-HOKUDAI International Symposium, 10 Dec. 2024, English, Poster presentation
10 Dec. 2024 - 10 Dec. 2024 - Application of Dynamic Feature Selection for Efficient and Systematic Exploration of Highly Enantioselective Reaction
Shunnichi Hashiba; Tomoyuki Kitano; Koji Tabata; Yuta Mizuno; Yoshihiro Matsumura; Kei Terayama; Tamiki Komatsuzaki
25th RIES-HOKUDAI International Symposium, 10 Dec. 2024, English, Poster presentation
10 Dec. 2024 - 10 Dec. 2024 - Spatial-Chemical information for Raman Histology Using an Information Theoretical Analysis
Ryoya Kondo; Yuta Mizuno; J. Nicholas Taylor; Jean-Emmanuel Clemen; Kentaro Mochizuki; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
25th RIES-HOKUDAI International Symposium, 10 Dec. 2024, English, Poster presentation
10 Dec. 2024 - 10 Dec. 2024 - Title Clustering Problems under Bandit Feedback
Soshi Takikawa; Koji Tabata; Tamiki Komatsuzaki
25th RIES-HOKUDAI International Symposium, 10 Dec. 2024, English, Poster presentation
10 Dec. 2024 - 10 Dec. 2024 - Using the Bandit Algorithm Investigation of efficiency of high-dimensional Bayesian optimization
Yusuke Nomura; Koji Tabata; Tamiki Komatsuzaki
25th RIES-HOKUDAI International Symposium, 10 Dec. 2024, English, Poster presentation
10 Dec. 2024 - 10 Dec. 2024 - Mortal Multi-Armed Bandits with Inventory Constraints
Kenta Kikuchi; Koji Tabata; Tamiki Komatsuzaki
25th RIES-HOKUDAI International Symposium, 10 Dec. 2024, English, Poster presentation
10 Dec. 2024 - 10 Dec. 2024 - Raman histology with information theoretic assessments based on chemo-spatial information
Ryoya Kondo; Yuta Mizuno; J. Nicholas Taylor; Jean-Emmanuel Clemen; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
Biomedical Raman Imaging (BRI) Workshop 2024, 26 Nov. 2024, English, Poster presentation
25 Nov. 2024 - 27 Nov. 2024 - 化学-空間情報に基づく情報理論的病態評価によるラマン分光組織学
近藤 僚哉; 水野 雄太; Jean Emmanuel Clemen; 望月 健太郎; 原田 義規; 藤田 克昌; 小松崎 民樹
第27回情報論的学習理論ワークショップ (IBIS2024), 06 Nov. 2024, Japanese, Poster presentation
04 Nov. 2024 - 07 Nov. 2024 - 固定予算及び固定信頼度設定下でのリスク回避型多目的バンディット
野永 竣太; 田畑 公次; 水野 雄太; 小松崎 民樹
第27回情報論的学習理論ワークショップ (IBIS2024), 06 Nov. 2024, Japanese, Poster presentation
04 Nov. 2024 - 07 Nov. 2024 - バンディットフィードバック下でのクラスタリング問題
瀧川 颯士; 田畑 公次; 小松崎 民樹
第27回情報論的学習理論ワークショップ (IBIS2024), 05 Nov. 2024, Japanese, Poster presentation
04 Nov. 2024 - 07 Nov. 2024 - バンディットアルゴリズムを用いた高次元ベイズ最適化の効率化の検討
野村 祐介; 田畑 公次; 小松崎 民樹
第27回情報論的学習理論ワークショップ (IBIS2024), 05 Nov. 2024, Japanese, Poster presentation
04 Nov. 2024 - 07 Nov. 2024 - 動的商品カタログを持つECサイトのための寿命型バンディットアルゴリズム
菊池 健太; 田畑 公次; 小松崎 民樹
第27回情報論的学習理論ワークショップ (IBIS2024), 05 Nov. 2024, Japanese, Poster presentation
04 Nov. 2024 - 07 Nov. 2024 - An Analysis of Chemical Reaction Dynamics in Phase Space by Dimensionality Reduction Method
Ryoichi Tanaka; Yuta Mizuno; Takuro Tsutsumi; Mikito Toda; Tetsuya Taketsugu; Tamiki Komatsuzaki
3rd PhD. Students Workshop Strasbourg Hokkaido, 22 Oct. 2024, English, Oral presentation
21 Oct. 2024 - 22 Oct. 2024 - 化学反応ネットワークの縮約理論か非アルコール性脂肪肝疾患分光画像解析
小松崎 民樹
研究会「理論と実験」2024, 10 Oct. 2024, Japanese, Oral presentation
10 Oct. 2024 - 11 Oct. 2024 - 実在分子系における化学反応動力学の相空間構造の理論的研究
田中 綾一; 水野 雄太; 堤 拓朗; 戸田 幹人; 武次 徹也; 小松崎 民樹
第18回分子科学討論会, 21 Sep. 2024, Japanese, Poster presentation
18 Sep. 2024 - 21 Sep. 2024 - 個体差を反映した薬物迅速スクリーニングと異なる種間の情報接続
小松崎 民樹
2024年度日本神経回路学会時限研究会, 13 Sep. 2024, Japanese, Oral presentation
13 Sep. 2024 - 13 Sep. 2024 - Can Phase Space Structures Explain Dynamical Selectivity of Products in a Chemical Reaction?
Ryoichi Tanaka; Yuta Mizuno; Takuro Tsutsumi; Mikito Toda; Tetsuya Taketsugu; Tamiki Komatsuzaki
Energy Landscapes 2024 Lovran, 28 Aug. 2024, English, Oral presentation
26 Aug. 2024 - 29 Aug. 2024 - Risk-Averse drug selection using Machine Learning
Shunta Nonaga; Koji Tabata; Yuta Mizuno; Tamiki Komatsuzaki
15th CSE Summer School and 12th ALP International Symposium, 24 Aug. 2024, English, Poster presentation
24 Aug. 2024 - 25 Aug. 2024 - Inferring direct and indirect interactions in collective motion from a pair of individual time series
Md. Mohiuddin; Udoy S. Basak; Sulimon Sattari; Tamiki Komatsuzaki
15th CSE Summer School and 12th ALP International Symposium, 24 Aug. 2024, English, Poster presentation
24 Aug. 2024 - 25 Aug. 2024 - Raman Imaging Algorithm for Analysing Therapy-Resistant Cancer Cells
Zannatul Ferdous; Jean Emmanuel Clemen; Masumi Tsuda; Katsumasa Fujita; Yasuaki Kumamoto; Wang Lei; Menglu Li; Thomas Bocklitz; Jian Ping Gong; Shinya Tanaka; Tamiki Komatsuzaki
28th International Conference on Raman Spectroscopy – ICORS 2024, 01 Aug. 2024, English, Oral presentation
28 Jul. 2024 - 02 Aug. 2024 - On-the-Fly Raman Microscopy Guaranteeing the Accuracy of Discrimination
Tamiki Komatsuzaki
28th International Conference on Raman Spectroscopy – ICORS 2024, 29 Jul. 2024, English, Invited oral presentation
28 Jul. 2024 - 02 Aug. 2024, [Invited] - Development of;an;Efficien;Estimation Method for;Maximum Tolerated Dose by Reinforcement Learning
Ryosuke Takami; Koji Tabata; Yayoi Wada; Masahiro Sonoshita; Tamiki Komatsuzaki
IUPAB2024, 27 Jun. 2024, English, Poster presentation
24 Jun. 2024 - 28 Jun. 2024 - Morphological Difference in Hydrogel Induced Cancer Stem Cell in Synovial Sarcoma Model Cells
Zannatul Ferdous; Jean-Emmanuel Clémen; Jian Ping Gong; Shinya Tanaka; Masumi Tsuda; Tamiki Komatsuzaki
IUPAB2024, 27 Jun. 2024, English, Poster presentation
24 Jun. 2024 - 28 Jun. 2024 - Extraction of dependent spatial or spectral features from different disease states in Raman images
Ryoya Kondo; Yuta Mizuno; Jean-Emmanuel Clemen; Kentaro Mochizuki; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
IUPAB2024, 27 Jun. 2024, English, Poster presentation
24 Jun. 2024 - 28 Jun. 2024 - Quantification of Spatial and Spectral Information Dependent on Measurement Methods and Disease States in Raman Images
Ryoya Kondo; Yuta Mizuno; Jean-Emmanuel Clemen; Kentaro Mochizuki; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
IUPAB2024, 27 Jun. 2024, English, Poster presentation
24 Jun. 2024 - 28 Jun. 2024 - Framework for efficient drug selection using machine learning
Shunta Nonaga; Koji Tabata; Tamiki Komatsuzaki
IUPAB2024, 25 Jun. 2024, English, Poster presentation
24 Jun. 2024 - 28 Jun. 2024 - Identifying direct and indirect interactions among collectively moving individuals using pairwise information flow metric
M. Mohiuddin; Sulimon Sattari; Udoy S. Basak; Tamiki Komatsuzaki
IUPAB2024, 25 Jun. 2024, English, Poster presentation
24 Jun. 2024 - 28 Jun. 2024 - Bayesian Optimization for Efficient Exploration of Highly Enantioselective Reaction by Dynamic Feature Selection
Shunichi Hashiba; Tomoyuki Kitano; Koji Tabata; Yoshihiro Matsumura; Kei Terayama; Tamiki Komatsuzaki
39th Symposium on Chemical Kinetics and Dynamics, 13 Jun. 2024, English, Poster presentation
12 Jun. 2024 - 14 Jun. 2024 - Reinforcement learning to accelerate Raman imaging and reaction discovery
Tamiki Komatsuzaki
COMPLEXBIODYN 2024 (COMPLEX KINETICS AND DYNAMICS FROM SINGLE MOLECULE TO CELLS), 11 Jun. 2024, English, Oral presentation
09 Jun. 2024 - 14 Jun. 2024 - 逐次ラマン計測による迅速診断
田畑 公次; 川越 寛之; J. Taylor; 望月 健太郎; 久保 俊貴; Jean-Emmanuel Clement; 熊本 康昭; 原田 義規; 中村 篤祥; 藤田 克昌; 小松崎 民樹
2024年度人工知能学会全国大会(第38回), 28 May 2024, Japanese, Oral presentation
28 May 2024 - 31 May 2024 - 相空間構造の低次元化による化学反応動力学の解析
田中 綾一; 水野 雄太; 堤 拓朗; 戸田 幹人; 武次 徹也; 小松崎 民樹
第26回理論化学討論会, 23 May 2024, Japanese, Oral presentation
21 May 2024 - 23 May 2024 - On-the-fly Raman microscopy guaranteeing the accuracy of discrimination
Tamiki Komatsuzaki
SPIE Photonics Europe, 08 Apr. 2024, English, Invited oral presentation
07 Apr. 2024 - 11 Apr. 2024, [Invited] - 強化学習による薬剤最大耐量の効率的な推定法の開発
髙見 亮佑; 田畑 公次; 和田 弥生; 園下 将大; 小松崎 民樹
2023年度 日本生物物理学会北海道支部- 東北支部合同例会, 22 Mar. 2024, Japanese, Oral presentation
22 Mar. 2024 - 22 Mar. 2024 - 薬剤スクリーニング迅速化のための多目的最適化
野永 竣太; 田畑 公次; 小松崎 民樹
2023年度 日本生物物理学会北海道支部-東北支部合同例会, 22 Mar. 2024, Japanese, Oral presentation
22 Mar. 2024 - 22 Mar. 2024 - Fast and accurate discrimination high-speed Raman imaging combined with multi-armed bandit algorithm in reinforcement learning
Koji Tabata; Hiroyuki Kawagoe; Toshiki Kubo; James N. Taylor; Kentaro Mochizuki; Jean-Emmanuel Clemen; Yasuaki Kumamoto; Yoshinori Harada; Atsuyoshi Nakamura; Katsumasa Fujita; Tamiki Komatsuzaki
Proc. SPIE 12853, High-Speed Biomedical Imaging and Spectroscopy IX, 12 Mar. 2024, English, Others
12 Mar. 2024 - 12 Mar. 2024 - Fast and accurate discrimination high-speed Raman imaging combined with multi-armed bandit algorithm in reinforcement learning
Koji Tabata; Hiroyuki Kawagoe; Toshiki Kubo; James N. Taylor; Kentaro Mochizuki; Jean-Emmanuel Clemen; Yasuaki Kumamoto; Yoshinori Harada; Atsuyoshi Nakamura; Katsumasa Fujita; Tamiki Komatsuzaki
SPIE Photonics West, 28 Jan. 2024, English, Invited oral presentation
27 Jan. 2024 - 01 Feb. 2024, [Invited] - Development of information theoretic analysis to quantify information specific to Raman images
Ryoya Kondo; Yuta Mizuno; Jean-Emmanuel Clemen; Kentaro Mochizuki; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
SPIE Photonics West, 28 Jan. 2024, English, Poster presentation
27 Jan. 2024 - 01 Feb. 2024 - On-the-fly slit-scanning confocal Raman microscope guaranteeing the accuracy of discrimination
Toshiki Kubo; Koji Tabata; Hiroyuki Kawagoe; James Taylor; Jean-Emmanuel Clemen; Yoshinori Harada; Atsuyoshi Nakamura; Katsumasa Fujita; Tamiki Komatsuzaki
SPIE Photonics West, 27 Jan. 2024, English, Invited oral presentation
27 Jan. 2024 - 01 Feb. 2024, [Invited] - Risk - Avarse Bandits using Higher Order Moments
Shunta Nonaga; Koji Tabata; Tamiki Komatsuzaki
The 2023 RIES–CEFMS (Research Institute for Electronic Science–Center for Emergent Functional Matter Science) Joint International Symposium, 07 Dec. 2023, English, Poster presentation
07 Dec. 2023 - 08 Dec. 2023 - Accelerating Atom Mapping with an Ising Machine
Mohammad Ali; Yuta Mizuno; Tamiki Komatsuzaki
The 2023 RIES–CEFMS (Research Institute for Electronic Science–Center for Emergent Functional Matter Science) Joint International Symposium, 07 Dec. 2023, English, Poster presentation
07 Dec. 2023 - 08 Dec. 2023 - Inferring Direct and Indirect Interactions among Agents in Collective Motion using Pairwise Information Flow Measure Transfer Entropy
M. Mohiuddin; Sulimon Sattari; Udoy Basak; Tamiki Komatsuzaki
he 2023 RIES–CEFMS (Research Institute for Electronic Science–Center for Emergent Functional Matter Science) Joint International Symposium, 07 Dec. 2023, English, Poster presentation
07 Dec. 2023 - 08 Dec. 2023 - Sequentially Molecular Properties Prediction using Linear Bandit Algorithm
Md. Menhazul Abedin; Koji Tabata; Yoshihiro Matsumura; Tamiki Komatsuzaki
The 2023 RIES–CEFMS (Research Institute for Electronic Science–Center for Emergent Functional Matter Science) Joint International Symposium, 07 Dec. 2023, English, Poster presentation
07 Dec. 2023 - 08 Dec. 2023 - Use of Spatial Chemical Heterogeneity for Raman Histology: An Information Theoretical Analysis
Ryoya Kondo; J. Nicholas Taylor; Yuta Mizuno; Jean-Emmanuel Clemen; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
The 24th RIES-HOKUDAI International Symposium, 06 Dec. 2023, English, Poster presentation
06 Dec. 2023 - 07 Dec. 2023 - Visualization of Chemical Reaction Phase Space Using Supervised Dimensional Reduction Method
Ryoichi Tanaka; Yuta Mizuno; Takuro Tsutsumi; Mikito Toda; Tetsuya Taketsugu; Tamiki Komatsuzaki
The 24th RIES-HOKUDAI International Symposium, 06 Dec. 2023, English, Poster presentation
06 Dec. 2023 - 07 Dec. 2023 - Accelerating Atom Mapping with Ising Machines
Mohammad Ali; Yuta Mizuno; Seiji Akiyama; Yuuya Nagata; Tamiki Komatsuzaki
The 24th RIES-HOKUDAI International Symposium, 06 Dec. 2023, English, Poster presentation
06 Dec. 2023 - 07 Dec. 2023 - Detecting direct and indirect associations in collectively moving agents by employing a pairwise information flow metric
M. Mohiuddin; Sulimon Sattari; Udoy S. Basak; Tamiki Komatsuzaki
The 24th RIES-HOKUDAI International Symposium, 06 Dec. 2023, English, Poster presentation
06 Dec. 2023 - 07 Dec. 2023 - Advancing the Detection of Cancer Stem Cells Using Line Illumination Raman Microscopy and Hydrogel Substrates
Jean-Emmanuel Clémen; Zannatul Ferdous; Masumi Tsuda; Shinya Tanaka; Jian Ping Gong; Thomas Bocklitz; Fujita Katsumasa; Tamiki Komatsuzaki
The 24th RIES-HOKUDAI International Symposium, 06 Dec. 2023, English, Poster presentation
06 Dec. 2023 - 07 Dec. 2023 - Quantification of the relationship between information contained in Raman images and other types of images based on information theory
Ryoya Kondo; Yuta Mizuno; Jean-Emmanuel Clemen; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
The 61st Annual Meeting of the Biophysical Society of Japan, 14 Nov. 2023, Japanese, Oral presentation
14 Nov. 2023 - 16 Nov. 2023 - On-the-fly Raman microscopy guaranteeing the accuracy of discrimination
Tamiki Komatsuzaki
RamanFest 2023, 09 Nov. 2023, English, Invited oral presentation
09 Nov. 2023 - 10 Nov. 2023, [Invited] - 高次モーメントを活用したリスク回避型バンディット
野永 竣太; 田畑 公次; 小松崎 民樹
第26回情報論的学習理論ワークショップ(IBIS2023), 31 Oct. 2023, Japanese, Poster presentation
29 Oct. 2023 - 01 Nov. 2023 - Standardizing Raman Line Illumination Microscopy Data to Investigate Hydrogel-Mediated Reprogramming of Cancer Stem Cells
Jean-Emmanuel Clément; Zannatul Ferdous; Masumi Tsuda; Shinya Tanaka; Jian Ping Gong; Thomas Bocklitz; Katsumasa Fujita; Tamiki Komatsuzaki
FACSS SciX 2023, 09 Oct. 2023, English, Invited oral presentation
08 Oct. 2023 - 13 Oct. 2023, [Invited] - 計測介入型AIラマン計測
小松崎 民樹
研究会「理論と実験」2023, 05 Oct. 2023, Japanese, Oral presentation
05 Oct. 2023 - 06 Oct. 2023 - A Structure of Timescale Hierarchy in Reaction Network
Tamiki Komatsuzaki
TACC2023, 07 Sep. 2023, English, Oral presentation
04 Sep. 2023 - 09 Sep. 2023 - Advancing cancer stem cell detection through line illumination Raman microscope and hydrogel substrate
Jean-Emmanuel Clément; Zannatul Ferdous; Thomas Bocklitz; Katsumasa Fujita; Jian Ping Gong; Shinya Tanaka; Tamiki Komatsuzaki
International Conference on Advanced Vibrational Spectroscopy (ICAVS12), 29 Aug. 2023, English, Oral presentation
27 Aug. 2023 - 01 Sep. 2023 - 単調増加制約のある閾値バンディット
田畑公次; 中村篤祥; 小松崎民樹
第7回計測インフォマティクス研究会(人工知能学会第2種研究会), 25 Aug. 2023, Japanese, Oral presentation
25 Aug. 2023 - 25 Aug. 2023 - Advancing the Detection of Cancer Stem Cells Using Line Illumination Raman Microscopy and Hydrogel Substrates
Jean-Emmanuel Clément; Zannatul Ferdous; Masumi Tsuda; Shinya Tanaka; Jian Ping Gong; Thomas Bocklitz; Katsumasa Fujita; Tamiki Komatsuzaki
International Conference on Biological Physics, 14 Aug. 2023, English, Oral presentation
14 Aug. 2023 - 18 Aug. 2023 - Linear Bandit Algorithm for the Sequential Experiments of Molecular Properties
Menhazul Abedin; Koji Tabata; Yoshihiro Matsumura; Tamiki Komatsuzaki
北大理論化学合同workshop 2023, 17 Aug. 2023, English, Oral presentation
17 Aug. 2023 - 17 Aug. 2023 - On-the-fly Raman microscopy guaranteeing the accuracy of diagnosis by reinforcement learning
Tamiki Komatsuzaki
Biomedical Raman Imaging 2023, 26 Jun. 2023, English, Invited oral presentation
25 Jun. 2023 - 27 Jun. 2023, [Invited] - Raman Histology: Information Theoretical Evaluation of Disease State Based on Chemical-Spatial Information
Ryoya Kondo; James Nicholas Taylor; Yuta Mizuno; Jean-Emmanuel Clement; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
Biomedical Raman Imaging 2023, 25 Jun. 2023, English, Poster presentation
25 Jun. 2023 - 27 Jun. 2023 - Enumerating all optimal solutions in combinatorial optimization using Ising machines
Yuta Mizuno; Tamiki Komatsuzaki
Adiabatic Quantum Computing Conference 2023 (AQC 2023), 22 Jun. 2023, English, Poster presentation
19 Jun. 2023 - 23 Jun. 2023 - Efficient Exploration of Highly Enantioselective Reactions by Bayesian Optimization
Shunichi Hashiba, Koji Tabata, Yoshihiro Matsumura, Kei Terayama, Tamiki Komatsuzaki
38th Symposium on Chemical Kinetics and Dynamics, 07 Jun. 2023, English, Poster presentation
07 Jun. 2023 - 09 Jun. 2023 - A Phase Space Structure Analysis of Chemical Reaction Dynamics Using Supervised Dimensionality Reduction
Ryoichi Tanaka; Yuta Mizuno; Takuro Tsutsumi; Mikito Toda; Tetsuya Taketsugu; Tamiki Komatsuzaki
Energy Landscapes: Theory and Applications 2023, 05 Jun. 2023, English, Oral presentation
05 Jun. 2023 - 09 Jun. 2023 - A Structure of Kinetic Hierarchy in Reaction Network
Tamiki Komatsuzaki
Energy Landscapes: Theory and Applications 2023, 05 Jun. 2023, English, Invited oral presentation
05 Jun. 2023 - 09 Jun. 2023, [Invited] - ラマン分光組織学—化学–空間情報を用いた情報理論的病態評価—
近藤 僚哉; James Nicholas Taylor; 水野 雄太; Jean-Emmanuel Clement; 藤田 克昌; 原田 義規; 小松崎 民樹
第25回理論化学討論会, 19 May 2023, Japanese, Poster presentation
16 May 2023 - 19 May 2023 - 教師つき次元縮約を用いた化学反応動力学の相空間構造解析
田中 綾一; 水野 雄太; 堤 拓朗; 戸田 幹人; 武次 徹也; 小松崎 民樹
第25回理論化学討論会, 16 May 2023, Japanese, Oral presentation
16 May 2023 - 19 May 2023 - Posterior Tracking Algorithm for Classification Bandits
Koji Tabata; Junpei Komiyama; Atsuyoshi Nakamura; Tamiki Komatsuzaki
Koji Tabata, Junpei Komiyama, Atsuyoshi Nakamura, Tamiki Komatsuzaki, 27 Apr. 2023, English, Poster presentation
25 Apr. 2023 - 27 Apr. 2023 - 情報科学とラマン計測の展開
小松崎 民樹
【公開シンポジウム】データ駆動科学と情報計測の新展開 ~Data Driven Information Measurement Analysis~, 29 Mar. 2023, Japanese, Invited oral presentation
28 Mar. 2023 - 30 Mar. 2023, [Invited] - 単調増加制約のあるレベルセット推定
田畑 公次, 中村 篤祥, 高見 亮佑, Joshua Arenson, 和田 弥生, Walker Peterson, 合田 圭介, 園下 将大, 小松崎 民樹
人工知能学会 第124回人工知能基本問題研究会(SIG-FPAI), 17 Mar. 2023, Japanese, Oral presentation
17 Mar. 2023 - 17 Mar. 2023 - シンギュラリティ生物学のための数理・情報科学戦略
小松崎 民樹
新学術新領域「シンギュラリティ生物学」成果報告シンポジウム, 10 Mar. 2023, Japanese, Invited oral presentation
10 Mar. 2023 - 10 Mar. 2023, [Invited] - 畳み込みニューラルネットワークを用いたショウジョウバエ翅原基の癌性と非 癌性の識別
野永竣太; Joshua Arenson; 田畑公次; 水野雄太; 和田弥生; 合田圭介; 園下将大; 小松崎民樹
2022 年度生物物理学会北海道支部・東北支部合同例会, 04 Mar. 2023, Japanese, Oral presentation
04 Mar. 2023 - 04 Mar. 2023 - 薬剤最大耐量の効率的な同定法の開発
高見亮佑; 田畑公次; Joshua Arenson; 和田弥生; 園下将大; 小松崎民樹
2022 年度生物物理学会北海道支部・東北支部合同例会, 04 Mar. 2023, Japanese, Oral presentation
04 Mar. 2023 - 04 Mar. 2023 - On-the-fly Raman microscopy guaranteeing the accuracy of diagnosis by reinforcement learning
Tamiki Komatsuzaki
SPIE Photonics West, 28 Jan. 2023, English, Invited oral presentation
28 Jan. 2023 - 02 Feb. 2023, [Invited] - Establishment of a novel platform of Raman microscope for diagnosis of hydrogel-generated cancer stem cells
Jean-Emmanuel Clement; Zannatul Ferdous; Koji Tabata; Shinya Tanaka Jian; Ping Gong; Katsumasa Fujita; Tamiki Komatsuzaki
WPI joint symposium for interdisciplinary life sciences, The 45th Annual Meeting of the Molecular Biology Society of Japan, 02 Dec. 2022, English, Oral presentation
30 Nov. 2022 - 02 Dec. 2022 - On-the-fly Raman microscopy to accelerate the detection of singularity with guaranteeing the accuracy by reinforcement learning
小松崎 民樹
Singularity in bio-science research by Trans-Scale Imaging, The 45th Annual Meeting of the Molecular Biology Society of Japan, 01 Dec. 2022, English, Invited oral presentation
30 Nov. 2022 - 02 Dec. 2022, [Invited] - ベイズ最適化に基づく化学反応条件の効率的な探索手法
橋場 峻一; 田畑 公次; 松村 祥宏; 小松崎 民樹
第25回情報論的学習理論ワークショップ(IBIS2022), 22 Nov. 2022, Japanese, Poster presentation
20 Nov. 2022 - 23 Nov. 2022 - Study on Reinforcement Learning-Assisted Reaction Design and Discovery
Hongyuan Guo; Koji Tabata; Yoshihiro Matsunaga; Tamiki Komatsuzaki
第25回情報論的学習理論ワークショップ(IBIS2022), 21 Nov. 2022, English, Poster presentation
20 Nov. 2022 - 23 Nov. 2022 - 主成分分析を用いた次元縮約法による化学反応動力学の相空間構造の可視化
田中 綾一; 水野 雄太; 堤 拓朗; チツベロミカイル; 戸田 幹人; 武次 徹也; 小松崎 民樹
第45回ケモインフォマティクス討論会, 19 Nov. 2022, Japanese, Poster presentation
18 Nov. 2022 - 19 Nov. 2022 - Acceleration of Single Cell Raman Imaging to Guarantee the Accuracy of Diagnosis by Reinforcement Learning
T. Komatsuzaki
Data Modeling and Computation: Capturing Biomolecular Processes, 31 Oct. 2022, English, Nominated symposium
31 Oct. 2022 - 04 Nov. 2022, [Invited] - On-the-fly Raman microscopy with Guaranteeing Accuracy using Reinforcement Learning I: Theory
Tamiki Komatsuzaki
FACSS SciX 2022, 04 Oct. 2022, English, Invited oral presentation
02 Oct. 2022 - 07 Oct. 2022, [Invited] - Morphological Analysis of Hydrogel Induced Cancer Stem Cells in Synovial Sarcoma Model Cells
Zannatul Ferdous; Masumi Tsuda; Jean-Emmanuel Clément; Jian Ping Gong; Shinya Tanaka; Tamiki Komatsuzaki; Koji Tabata
The 60th Annual Meeting of the Biophysical Society of Japan, 30 Sep. 2022, English, Oral presentation
28 Sep. 2022 - 30 Sep. 2022 - Velocity field dynamics under blurring in fluorescent images of dictyostelium discoideum colonies
Md Mohiuddin; Md Motaleb Hossain; Sulimon Sattari; Udoy S. Basak; Mikito Toda; Kazuki Horikawa; Tamiki Komatsuzaki
The 60th Annual Meeting of the Biophysical Society of Japan, 30 Sep. 2022, English, Poster presentation
28 Sep. 2022 - 30 Sep. 2022 - Understanding the results of black box Convolution Neural Network to identify Follicular thyroid cancer
Abdul Halim Bhuiyan; Jean-Emmanuel Clément; Kentaro Mochizuki; James Nick Taylor; Koji Tabata; Yuta Mizuno; Atsuyoshi Nakamura; Yoshinori Harada; Katsumasa Fujita; Tamiki Komatsuzaki
The 60th Annual Meeting of the Biophysical Society of Japan, 29 Sep. 2022, English, Poster presentation
28 Sep. 2022 - 30 Sep. 2022 - Absolute Reward in Large Feature Space: Tracking by Linear Bandit
Md Menhazul Abedin; Koji Tabata; Tamiki Komatsuzaki
The 60th Annual Meeting of the Biophysical Society of Japan, 29 Sep. 2022, English, Poster presentation
28 Sep. 2022 - 30 Sep. 2022 - Quantification of the relationship between chemical and spatial information in Raman images using information theory
Ryoya Kondo; James Nicholas Taylor; Yuta Mizuno; Jean-Emmanuel Clement; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
The 60th Annual Meeting of the Biophysical Society of Japan, 28 Sep. 2022, English, Poster presentation
28 Sep. 2022 - 30 Sep. 2022 - Morphological Analysis of Hydrogel Induced Cancer Stem Cells in Synovial Sarcoma Model Cells
Zannatul Ferdous; Masumi Tsuda; Jean-Emmanuel Clément; Jian Ping Gong; Shinya Tanaka; Tamiki Komatsuzaki; Koji Tabata
The 60th Annual Meeting of the Biophysical Society of Japan, 28 Sep. 2022, English, Poster presentation
28 Sep. 2022 - 30 Sep. 2022 - イジング計算機と線形緩和法による最適合成計画問題の近似解法
水野 雄太; 盛田 晏梧; 小松崎 民樹
第16回分子科学討論会, 21 Sep. 2022, Japanese, Oral presentation
19 Sep. 2022 - 22 Sep. 2022 - Single Molecule Biophysics: What do Single Molecules Experience its Energy Landscape?
Tamiki Komatsuzaki
Computational Biophysics of Atomic Force Microscopy, 20 Sep. 2022, English, Invited oral presentation
19 Sep. 2022 - 21 Sep. 2022, [Invited] - Gaussian Weighted Background Correction for Raman images
Jean-Emmanuel Clement; Zannatul Ferdous; James Nicholas Taylor; Koji Tabata; Yoshinori Harada; Masami Tsuda; Shinya Tanaka; Jian Ping Gong; Katsumasa Fujita; Tamiki Komatsuzaki
19th European Conference on the Spectroscopy of Biological Molecules, 31 Aug. 2022, English, Oral presentation
29 Aug. 2022 - 01 Sep. 2022 - An algorithm for computing phase space structures in chemical reaction dynamics using Voronoi tessellation
MIZUNO, Yuta; TAKIGAWA, Mikoto; MIYASHITA, Saki; NAGAHATA; Yutaka; TERAMOTO, Hiroshi; KOMATSUZAKI, Tamiki
37th Symposium on Chemical Kinetics and Dynamics, 03 Jun. 2022, English, Oral presentation
01 Jun. 2022 - 03 Jun. 2022 - A Theoretical Study of Organic Reaction Dynamics in a Low Dimensional Space Reduced by Principal Component Analysis
TANAKA, Ryoichi; MIZUNO, Yuta; TSUTSUMI, Takuro; TSITSVERO, Mikhail; TODA, Mikito; TAKETSUGU, Tetsuya; KOMATSUZAKI
37th Symposium on Chemical Kinetics and Dynamics, 01 Jun. 2022, English, Poster presentation
01 Jun. 2022 - 03 Jun. 2022 - Kinetic disconnectivity graph: エネルギー地形の簡易的可視化法の提案
永幡 裕; 小林 正人; 戸田 幹人; 小松崎 民樹
第24回理論化学討論会, 18 May 2022, Japanese, Oral presentation
17 May 2022 - 20 May 2022 - ラマン分光と情報理論を組み合わせた分子データ科学の展開:空間不均一性に基づ く病態の再定義
近藤 僚哉; James N. Taylor; Jean-Emmanuel CLEMENT; 水野 雄太; 藤田 克昌; 原田 義規; 小松崎 民樹
第24回理論化学討論会, 17 May 2022, Japanese, Oral presentation
17 May 2022 - 20 May 2022 - On-the-fly Raman image microscopy by reinforcement machine learning
Tamiki Komatsuzaki; Koji Tabata; Hiroyuki Kawagoe; James Nicholas Taylor; Kentaro Mochizuki; Toshiki Kubo; Jean-Emmanuel Clement; Yasuaki Kumamoto; Yoshinori Harada; Atsuyoshi Nakamura; Katsumasa Fujita
SPIE Photonics Europe 2022, 05 Apr. 2022, English, Invited oral presentation
03 Apr. 2022 - 07 Apr. 2022, [Invited] - Workflow of Raman Data Preprocessing Using Spatial-Spectral Information Designed for Line Scanning Raman Microscope
Zannatul Ferdous; Jean-Emmanuel Clement; James Nicholas Taylor; Koji Tabata; Jian Ping Gong; Katsumasa Fujita; Masumi Tsuda; Shinya Tanaka; Tamiki Komatsuzaki
2021年度生物物理学会北海道支部-東北支部合同例会, 09 Mar. 2022, English, Oral presentation
09 Mar. 2022 - 09 Mar. 2022 - 情報理論とラマン分光イメージングを用いた化学的不均一性の解析
近藤僚哉; James N.Taylor; 水野雄太; Jean-Emmanuel Clement; 藤田克昌; 原田義規; 小松崎民樹
2021年度生物物理学会北海道支部-東北支部合同例会, 09 Mar. 2022, Japanese, Oral presentation
09 Mar. 2022 - 09 Mar. 2022 - Acceleration of Designing Chemical Reactions by Contextual Multi-armed Bandit Algorithm
Tamiki Komatsuzaki
ICReDD/Hokkaido University Five Attached Institutes Joint Symposium, 07 Mar. 2022, English, Invited oral presentation
07 Mar. 2022 - 07 Mar. 2022, [Invited] - 化学反応の特徴を保ちながら効果的に自由度を縮約する手法の研究
田中綾一; 水野雄太; 堤拓朗; チツベロミカイル; 戸田幹人; 武次徹也; 小松崎民樹
化学系学協会北海道支部2022年冬季研究発表会, 25 Jan. 2022, Japanese, Oral presentation
25 Jan. 2022 - 26 Jan. 2022 - 情報理論による化学的空間不均一性に基づくラマン分光イメージングの解析
近藤僚哉; TAYLOR J. Nicholas; CLEMENT Jean-Emmanuel; 水野雄太; 藤田克昌; 原田義規; 小松崎民樹
化学系学協会北海道支部2022年冬季研究発表会, 25 Jan. 2022, Japanese, Oral presentation
25 Jan. 2022 - 26 Jan. 2022 - The development of causal relationships in dictyostelium discoideum cells
Sulimon Sattari; Udoy Basak; Md. Motaleb Hossain; Kazuki Horikawa; Tamiki Komatsuzaki
新学術領域「シンギュラリティ生物学」 第6回領域会議, 19 Jan. 2022, English, Poster presentation
19 Jan. 2022 - 19 Jan. 2022 - Gaussian Weighted Background Correction Scheme for Hyperspectral Raman Data Preprocessing
Zannatul Ferdous; Jean-Emmanuel Clement; James Nicholas Taylor; Koji Tabata; Yoshinori Harada; Masami Tsuda; Shinya Tanaka; Jian Ping Gong; Katsumasa Fujita; Tamiki Komatsuzaki
The 22nd RIES-HOKUDAI International Symposium, 06 Dec. 2021, English, Poster presentation
06 Dec. 2021 - 07 Dec. 2021 - 情報理論を取り入れた手法によるラマン分光イメージ中 での化学的空間不均一性の解析
近藤僚哉; TAYLOR J. Nicholas; CLEMENT Jean-Emmanuel; 水野雄太; 藤田克昌; 原田義規; 小松崎民樹
第59回日本生物物理学会年会, 26 Nov. 2021, Japanese, Oral presentation
25 Nov. 2021 - 27 Nov. 2021 - Capturing hierarchical features in protein energy landscape from single molecule time series
小松崎 民樹
第59回日本生物物理学会年会, 25 Nov. 2021, Japanese, Invited oral presentation
25 Nov. 2021 - 27 Nov. 2021, [Invited] - On-the-fly Raman image microscopy by reinforcement machine learning
Tamiki Komatsuzaki; Koji Tabata; Hiroyuki Kawagoe; James Nicholas Taylor; Kentaro Mochizuki; Jean; Emmanuel Clement; Yasuaki Kumamoto; Atsuyoshi Nakamura; Yoshinori Harada; Katsumasa Fujita
FACSS SciX 2021, 30 Sep. 2021, English, Invited oral presentation
26 Sep. 2021 - 01 Oct. 2021, [Invited] - Timescale hierarchies in chemical reaction networks
小松崎 民樹
シンポジウム「化学反応経路探索のニューフロンティア2021」, 22 Sep. 2021, Japanese, Invited oral presentation
22 Sep. 2021 - 22 Sep. 2021, [Invited] - イジング計算機を用いた化学反応経路解析法とその性能評価
水野 雄太; 小松崎 民樹
第15回分子科学討論会, 20 Sep. 2021, Japanese, Oral presentation
18 Sep. 2021 - 21 Sep. 2021 - 主成分分析により抽出した少数自由度におけるハミルトン系の構成
田中綾一; 水野雄太; 堤拓朗; ミカイルチツベロ; 武次徹也; 小松崎民樹
第15回分子科学討論会, 18 Sep. 2021, Japanese, Poster presentation
18 Sep. 2021 - 21 Sep. 2021 - 計測介入型AIによる迅速ラマン計測
小松崎 民樹
JST情報計測オンラインセミナーシリーズ, 10 Jul. 2021, Japanese, Public discourse
10 Jul. 2021 - 10 Jul. 2021, [Invited] - 主成分分析による自由度の削減手法の開発 : [1,3]シグマトロピー転移の類似反応を例に
田中 綾一; 水野 雄太; 堤 拓朗; ミカイル チツベロ; 武次 徹也; 小松崎 民樹
第23回理論化学討論会, 14 May 2021, Japanese, Poster presentation
13 May 2021 - 15 May 2021 - イジング計算機を用いた化学反応ネットワーク上の反応経路解析
水野 雄太; 小松崎 民樹
第23回理論化学討論会, 14 May 2021, Japanese, Poster presentation
13 May 2021 - 15 May 2021 - ラマン分光イメージングにおける化学的空間不均一性の情報理論解析
近藤 僚哉; James N. Taylor; Jean-Emmanuel Clement; 水野 雄太; 藤田 克昌; 原田 義規; 小松崎 民樹
第23回理論化学討論会, 13 May 2021, Japanese, Poster presentation
13 May 2021 - 15 May 2021 - Classification Bandits: Classification Using Expected Rewards as Imperfect Discriminators
Koji Tabata; Atsuyoshi Nakamura; Tamiki Komatsuzaki
PAKDD2021 Workshop on Machine Learning for MEasurement Informatics, 11 May 2021, English, Oral presentation
11 May 2021 - 11 May 2021 - 化学的不均一性も考慮したラマン顕微鏡画像解析
近藤僚哉; James N.Taylor; Jean-Emmanuel Clement; 水野雄太; 藤田克昌; 原田義規; 小松崎民樹
生物物理学会学会 北海道支部-東北支部合同例会, 08 Mar. 2021, Japanese, Oral presentation
08 Mar. 2021 - 08 Mar. 2021 - Analysis Dictyostelium Discoideum cells motion response to a chemoattractant cyclic-AMP wave
Md. Motaleb Hossain; Sulimon Sattari; Udoy S. Basak; Kazuki Horikawa; Tamiki Komatsuzaki
生物物理学会学会 北海道支部-東北支部合同例会, 08 Mar. 2021, English, Oral presentation
08 Mar. 2021 - 08 Mar. 2021 - Study on Identification of Leader and Follower agents and its Interaction domain from Trajectories in a Collectively Moving Colony
Udoy S. Basak; Sulimon Sattari; Md. Motaleb Hossain; Kazuki Horikawa; Tamiki Komatsuzaki
生物物理学会学会 北海道支部-東北支部合同例会, 08 Mar. 2021, English, Oral presentation
08 Mar. 2021 - 08 Mar. 2021 - Modes of Information Flow in Collective Cohesion
Sulimon Sattari; Udoy Basak; James; P. Crutchfield; Tamiki Komatsuzaki
生物物理学会学会 北海道支部-東北支部合同例会, 08 Mar. 2021, English, Oral presentation
08 Mar. 2021 - 08 Mar. 2021 - Detection of Cancer Stem Cells in Sarcoma Model Cells Using Morphological Features for Developing New Diagnostics Tools
Zannatul Ferdous; Masumi Tsuda; Jean-Emmanuel Clément; Koji Tabata; Jian Ping Gong; Shinya Tanaka; Tamiki Komatsuzaki
ICReDD 3rd International Symposium, 22 Feb. 2021, English, Poster presentation
22 Feb. 2021 - 24 Feb. 2021 - The hierarchy of observable reaction networks associated with observation time-intervals
NAGAHATA Yutaka; TAKETSUGU Tetsuya; MAEDA Satoshi; KOMATSUZAKI Tamiki
ICReDD 3rd International Symposium, 22 Feb. 2021, English, Poster presentation
22 Feb. 2021 - 24 Feb. 2021 - 強化学習を用いたラマン計測迅速化:On-the-fly Raman image microscopy
小松崎 民樹
(一社)大阪大学ナノ理工学人材育成産学コンソーシアム 令和2年度第3回ナノ理工学情報交流会, 18 Feb. 2021, Japanese, Public discourse
18 Feb. 2021 - 18 Feb. 2021, [Invited] - 機械学習を用いた化学的不均一性 の情報を含むラマン顕微鏡画像中のスペクトルの分類
近藤僚哉; James N. Taylor; Jean-Emmanuel Clement; 水野雄太; 藤田克昌; 原田義規; 小松崎民樹
化学系学協会北海道支部2021年冬季研究発表会, 26 Jan. 2021, Japanese, Poster presentation
26 Jan. 2021 - 27 Jan. 2021 - AFIR法を用いた化学反応における動的効果の研究:1, 3-シグマトロピー転移の類似反応を例に
田中綾一; 水野雄太; 堤拓朗; ミカイルチツベロ; 武次徹也; 小松崎民樹
化学系学協会北海道支部2021年冬季研究発表会, 26 Jan. 2021, Japanese, Poster presentation
26 Jan. 2021 - 27 Jan. 2021 - ラマン分光イメージングにおける化学的空間不均一性 に基づいたファジークラスタリング手法の開発
近藤 僚哉; James N.Taylor; Jean-Emmanuel Clement; 水野 雄太; 藤田 克昌; 原田 義規; 小松崎 民樹
第15回分子科学討論会, 18 Sep. 2021, Japanese, Poster presentation
18 Sep. 2021 - 2021 - Vector analysis of amoeba motion with respect to the propagation of chemoattractant cyclic-AMP
Sulimon Sattari; Udoy Basak; Motaleb; Md. Hossain; Kazuki Horikawa; Tamiki Komatsuzaki
The 21st RIES-HOKUDAI International Symposium, 10 Dec. 2020, English, Poster presentation
10 Dec. 2020 - 11 Dec. 2020 - Vector analysis of amoeba motion response to a cyclic-AMP wave
Md. Motaleb Hossain; Sulimon Sulimon Sattari; Udoy Sankar Basak; Kazuki Kazuki Horikawa; Tamiki Tamiki Komatsuzaki
The 21st RIES-HOKUDAI International Symposium, 10 Dec. 2020, English, Poster presentation
10 Dec. 2020 - 11 Dec. 2020 - Raman Imaging for Exploring Cancer Metabolism
Jean-emmanuel Clément; Mochizuki Kentaro; Katsumasa Fujita; Tamiki Komatsuzaki
The 21st RIES-HOKUDAI International Symposium, 10 Dec. 2020, English, Poster presentation
10 Dec. 2020 - 11 Dec. 2020 - Analysis of Cancer Stem Cells in Sarcoma Model Cells by Deep Neural Network
Zannatul Ferdous; Masumi Tsuda; Jean-emmanuel Clément; Koji Tabata; Yusuke Ishida; Jun Suzuka; Jian Ping Gong; Shinya Tanaka; Tamiki Komatsuzaki
The 21st RIES-HOKUDAI International Symposium, 10 Dec. 2020, English, Poster presentation
10 Dec. 2020 - 11 Dec. 2020 - Inferring domain of Interaction among Dictyostelium discoideum colony from the ensemble of Trajectories of cells
Udoy S. Basak; Sulimon Sattari; Motaleb M. Hossain; Kazuki Horikawa; Tamiki Komatsuzaki
The 21st RIES-HOKUDAI International Symposium, 10 Dec. 2020, English, Poster presentation
10 Dec. 2020 - 11 Dec. 2020 - Application of Linear Bandit in Drug Screening Example
Md. Menhazul Abedin; Koji Tabata; Jean-emmanuel Clément; Masumi Tsuda; Shinya Tanaka; Tamiki Komatsuzaki
The 21st RIES-HOKUDAI International Symposium, 10 Dec. 2020, English, Poster presentation
10 Dec. 2020 - 11 Dec. 2020 - To classify Raman spectra using Deep Learning Approach
Abdul Halim Bhuiyan; Jean-emmanuel Clément; Kentaro Mochizuki; James nick Taylor; Koji Tabata; Yuta Mizuno; Atsuyoshi Nakamura; Yoshinori Harada; Katsumasa Fujita; Tamiki Komatsuzaki
The 21st RIES-HOKUDAI International Symposium, 10 Dec. 2020, English, Poster presentation
10 Dec. 2020 - 11 Dec. 2020 - Classification of Spectra in Raman Microscopic Image by Chemical Heterogeneity
Ryoya Kondo; James N Taylor; Jean-emmanuel Clément; Yuta Mizuno; Katsumasa Fujita; Yoshinori Harada; Tamiki Komatsuzaki
The 21st RIES-HOKUDAI International Symposium, 10 Dec. 2020, English, Poster presentation
10 Dec. 2020 - 11 Dec. 2020 - On-the-fly Raman image microscopy by reinforcement machine learning: How to accelerate the measurement?
Tamiki Komatsuzaki
SCIX2020, Oct. 2020, English, Invited oral presentation
11 Oct. 2020 - 16 Oct. 2020, [Invited] - 一細胞ラマン計測と情報科学の融合による細胞診断の迅速解析技術の開発
小松崎 民樹
CREST・さきがけ複合領域「計測技術と高度情報処理の融合によるインテリジェント計測・解析手法の開発と応用」第 5 回 CREST 領域会議, 11 Oct. 2020, Japanese, Oral presentation
11 Oct. 2020 - 12 Oct. 2020 - Raman imaging for cancer diagnosis
Jean-Emmanuel Clement; Kenntaro Mochizuki; Katsumasa Fujita; Tamiki Komatsuzaki
第58回日本生物物理学会年会, 18 Sep. 2020, English, Poster presentation
16 Sep. 2020 - 18 Sep. 2020 - Vector analysis of amoeba motion with respect to the propagation of chemoattractant cyclic-AMP
Hossain Md. Motaleb; Sattari Sulimon; Basak Udoy S; Horikawa Kazuki; Komatsuzaki Tamiki
第58回日本生物物理学会年会, 18 Sep. 2020, English, Poster presentation
16 Sep. 2020 - 18 Sep. 2020 - Inferring domain of Interactions among Dictyostelium discoideum colony from the Ensemble of Trajectories of cells
Basak Udoy S; Sattari Sulimon; Hossain Md. Motaleb; Horikawa Kazuki; Komatsuzaki Tamiki
第58回日本生物物理学会年会, 18 Sep. 2020, English, Poster presentation
16 Sep. 2020 - 18 Sep. 2020 - Quantifying the length- and time-scales of influence of cells in collective motion
Sattari Sulimon; Basak Udoy; Motaleb Md. Hossain; 堀川 一樹; 小松崎 民樹
第58回日本生物物理学会年会, 18 Sep. 2020, English, Poster presentation
16 Sep. 2020 - 18 Sep. 2020 - Geometrical aspect of chemical reaction dynamics in thermally fluctuating environments and Future Directions
Tamiki Komatsuzaki
Chaos Indicators, Phase Space and Chemical Reaction Dynamics, 04 May 2020, English, Invited oral presentation
04 May 2020 - 06 May 2020, [Invited] - 古典的軌道計算とボロノイ分割を用いた反応チューブの計算方法
宮下彩季; 滝川皇; 水野雄太; 寺本央; 小松崎民樹
化学系学協会北海道支部2020年冬季研究発表会, 28 Jan. 2020, Japanese, Poster presentation
28 Jan. 2020 - 29 Jan. 2020 - シンギュラリティ生物学における情報✕計測
小松崎 民樹
シンギュラリティ生物学×細胞ダイバース合同ワークショップ, 24 Jan. 2020, Japanese, Oral presentation
23 Jan. 2020 - 24 Jan. 2020 - A computational method for reaction tubes based on trajectory calculation and Voronoi tessellation
滝川 皇; 宮下 彩季; 水野 雄太; 寺本 央; 小松崎 民樹
北海道大学電子科学研究所 2019年度 研究交流会, 10 Jan. 2020, English, Oral presentation
10 Jan. 2020 - 10 Jan. 2020 - An Information-theoretic approach to identify the interaction radius of a group of collectively moving animals
Udoy. S Basak; Sulimon Sattari; Tamiki Komatsuzaki
The 20th RIES-HOKUDAI International Symposium, 02 Dec. 2019, English, Poster presentation
02 Dec. 2019 - 03 Dec. 2019 - A sandbox model system for analyzing leadership in collective motion
Sulimon Sattari; Udoy Basak; Sky Nicholson; Jason Green; Mikito Toda; Tamiki Komatsuzaki
The 20th RIES-HOKUDAI International Symposium, 02 Dec. 2019, English, Poster presentation
02 Dec. 2019 - 03 Dec. 2019 - Bad Arm Existence Checking Algorithm with Bandit Feeedback
Koji Tabata; Atsuyoshi Nakamura; Tamiki Komatsuzaki
The 20th RIES-HOKUDAI International Symposium, 02 Dec. 2019, English, Poster presentation
02 Dec. 2019 - 03 Dec. 2019 - Raman Microscopic Histology using Ensemble Learning for Non-alcoholic Fatty Liver Disease
Khalifa Mohammad Helal; Harsono Cahyadi; J. Nicholas Taylor; Akira Okajima; Yasuaki Kumamoto; Hideo Tanaka; Yoshinori Harada; Tamiki Komatsuzaki
The 20th RIES-HOKUDAI International Symposium, 02 Dec. 2019, English, Poster presentation
02 Dec. 2019 - 03 Dec. 2019 - High Resolution Raman Microscopic Detection of Follicular Thyroid Cancer Cells with Unsupervised Machine Learning
J. Nicholas Taylor; Kentaro Mochizuki; Kosuke Hashimoto; Yasuaki Kumamoto; Yoshinori Harada; Katsumasa Fujita; Tamiki Komatsuzaki
The 20th RIES-HOKUDAI International Symposium, 02 Dec. 2019, English, Poster presentation
02 Dec. 2019 - 03 Dec. 2019 - Raman Imaging for Exploring Cancer Metabolism
Jean-Emmanuel Clément; Mochizuki Kentaro; Katsumasa Fujita; Tamiki Komatsuzaki
The 20th RIES-HOKUDAI International Symposium, 02 Dec. 2019, English, Poster presentation
02 Dec. 2019 - 03 Dec. 2019 - On-the-fly Raman image microscopy by reinforcement machine learning
Tamiki Komatsuzaki
Biomedical Raman Imaging 2019, 26 Nov. 2019, English, Invited oral presentation
24 Nov. 2019 - 26 Nov. 2019, [Invited] - Accelerated Raman hyperspectral imaging for cancer diagnosis
Jean-Emmanuel Clement; Shunsuke Ono; Kentaro Mochizuki; Katsumasa Fujita; Tamiki Komatsuzaki
Biomedical Raman Imaging 2019, 25 Nov. 2019, English, Oral presentation
24 Nov. 2019 - 26 Nov. 2019 - Raman Hyperspectral Image Analysis Using Ensemble Learning for Non-alcoholic Fatty Liver Disease
Khalifa Mohammad Helal; Harsono Cahyadi; J. Nicholas Taylor; Akira Okajima; Yasuaki Kumamoto; Hideo Tanaka; Yoshinori Harada; Tamiki Komatsuzaki
Biomedical Raman Imaging 2019, 25 Nov. 2019, English, Oral presentation
24 Nov. 2019 - 26 Nov. 2019 - Causal inference in Leader-follower relationship
KOMATSUZAKI TAMIKI
ICSB 2019: Singularity Biology: small elements change the function of the whole systems, 31 Oct. 2019, English, Oral presentation
[International presentation] - A leadership-based phase transition in a flocking model with activated and un-activated agents
Sulimon Sattari; Tamiki Komatusaki; Mikito Toda; Sky Nicholson; Jason Green; Udoy Basak
第57回日本生物物理学会年会, 25 Sep. 2019, English, Poster presentation
[Domestic Conference] - An Information-theoretic approach toward identifying the leader(s) and aggregation place in Dictyostelium Discoideum colony
Basak Udoy Sankar; Sattari Sulimon; Horikawa Kazuki; Komatsuzaki Tamiki
第57回日本生物物理学会年会, 25 Sep. 2019, English, Poster presentation
[Domestic Conference] - 一細胞ラマン計測と情報科学の融合による細胞診断の迅速解析技術の開発
小松崎 民樹
CREST・さきがけ複合領域「計測技術と高度情報処理の融合によるインテリジェント計測・解析手法の開発と応用」第4回CREST 領域会議, 28 Aug. 2019, Japanese, Oral presentation
[Domestic Conference] - Raman pathology and its phenotypic landscape for Non-alcoholic fatty liver diseases
KOMATSUZAKI TAMIKI
The Complexity of Dynamics and Kinetics from Single Molecules to Cells, 17 Jun. 2019, English, Invited oral presentation
[Invited], [International presentation] - アデニレートキナーゼの一分子観察データから再構成するエネルギー地形の階層性
James Nicholas Taylor; Menahem Pirchi; Gilad Haran; 小松崎 民樹
第22回理論化学討論会, 29 May 2019, English, Oral presentation
[Domestic Conference] - Deciphering hierarchical features in reaction network and energy landscape
KOMATSUZAKI TAMIKI
Network analysis to elucidate natural system dynamics, diversity and performance, 04 May 2019, English, Invited oral presentation
[Invited], [International presentation] - Identification of Leader(s) in a Dictyostelium Discoideum colony: An Information-theoretic Approach
Udoy Sankar Basak; Sulimon Sattari; Sosuke Ito; Kazuki Horikawa; Tamiki Komatsuzaki
生物物理・回折構造生物学 合同研究会, 14 Mar. 2019, English, Oral presentation
[Domestic Conference] - A sandbox model system for understanding leadership in collective motion
Sulimon Sattari; Udoy Basak; Schuyler Nicholson; Jason Green; Mikito Toda; Tamiki Komatsuzaki
生物物理・回折構造生物学 合同研究会, 14 Mar. 2019, English, Oral presentation
[Domestic Conference] - Analysis of Raman Microscopic Images of Liver Tissu to Predict Non-alcholic Fatty Liver Disease
Helal Khalifa Mohammad; Cahyadi Harsono; Taylor J. Nicholas; Okajima Akira; Kumamoto Yasuaki; Tanaka Hideo; Harada Yoshinori; Komatsuzaki Tamiki
生物物理・回折構造生物学 合同研究会, 14 Mar. 2019, English, Oral presentation
[Domestic Conference] - Mathematical information measurement science: acceleration of Raman spectroscopy by bridging information science
小松崎 民樹
バイオ情報計測技術研究会, 02 Mar. 2019, English, Oral presentation
[Domestic Conference] - 1分子時系列情報からどのように背後の反応ネットワーク を抽出できるのか?
小松崎 民樹
「生命動態の理解と制御のための基盤技術の創出」研究領域 第 7 回領域会議・第 11 回数理デザイン道場, 25 Jan. 2019, Japanese, Invited oral presentation
[Invited], [Domestic Conference] - How can one bridge information science and measurement science to accelerate the measurements?
KOMATSUZAKI TAMIKI
The 22nd SANKEN International Symposium The 17th SANKEN Nanotechnology International Symposium "Next Generation Science and Technology for Super Smart Society", 16 Jan. 2019, English, Invited oral presentation
[Invited], [International presentation] - 病理診断迅速化に向けたバンディットアルゴリズムの応用
田畑公次; 中村篤祥; 小松崎民樹
北海道大学電子科研究所平成 30年度 研究交流会, 11 Jan. 2019, Japanese, Oral presentation
[Domestic Conference] - Application of Singularity Theory to Material Science
Hiroshi Teramoto; Asahi Tsuchida; Yutaro Kabata; Kenji Kondo; Katsusuke Nabeshima; Shyūichi Izumiya; Mikito Toda; Tamiki Komatsuzaki
The 19th RIES-HOKUDAI International Symposium, 11 Dec. 2018, English, Poster presentation
[International presentation] - Data-Driven Analysis of Raman Microscopic Images of Human Follicular Thyroid Cells
J. Nicholas Taylor; Kentaro Mochizuki; Katsumasa Fujita; Tamiki Komatsuzaki
The 19th RIES-HOKUDAI International Symposium, 11 Dec. 2018, English, Poster presentation
[International presentation] - The origin of why and how reactions take place: Reaction cylinders by Voronoi tessellation
Mikoto Takigawa; Sulimon Sattari; Sosuke Ito; Hiroshi Teramoto; Tamiki Komatsuzaki
The 19th RIES-HOKUDAI International Symposium, 11 Dec. 2018, English, Poster presentation
[International presentation] - Bad Arm Existence Checking Algorithms with Bandit Feedback
Koji Tabata; Atsuyoshi Nakamura; Tamiki Komatsuzaki
The 19th RIES-HOKUDAI International Symposium, 11 Dec. 2018, English, Poster presentation
[International presentation] - A sandbox model system for analyzing leadership in collective motion
Sulimon Sattari; Udoy Basak; Sky Nicholson; Jason Green; Mikito Toda; Tamiki Komatsuzaki
The 19th RIES-HOKUDAI International Symposium, 11 Dec. 2018, English, Poster presentation
[International presentation] - Information-theoretical Approaches to Raman Microscopic Images to Predict Non-alcoholic Fatty Liver Disease
Khalifa Mohammad Helal; Harsono Cahyadi; J. Nicholas Taylor; Akira Okajima; Yasuaki Kumamoto; Hideo Tanaka; Yoshinori Harada; Tamiki Komatsuzaki
The 19th RIES-HOKUDAI International Symposium, 11 Dec. 2018, English, Poster presentation
[International presentation] - Information theoretic approach to identify the leader(s) in Dictyostelium Discoideum colony
Udoy S. Basak; Sulimon Sattari; Sosuke Ito; Kazuki Horikawa; Tamiki Komatsuzaki
The 19th RIES-HOKUDAI International Symposium, 11 Dec. 2018, English, Poster presentation
[International presentation] - 非対称性を利用した悪腕存在チェックアルゴリズム
田畑 公次; 中村 篤祥; 小松崎 民樹
第21回情報論的学習理論ワークショップ, 05 Nov. 2018, Japanese, Oral presentation
[Domestic Conference] - Revisit transition state theory: Past, Present, Future
KOMATSUZAKI TAMIKI
Workshop “Trends in Computational Molecular Biophysics”, 03 Nov. 2018, English, Invited oral presentation
[Invited], [Domestic Conference] - ラマン計測と情報科学:情報科学は計測を迅速化できるか
小松崎 民樹
第1回 計測インフォマティクス 計測インフォマティクス 研究会、人工知能学会 第2種研究会, 21 Sep. 2018, Japanese, Invited oral presentation
[Invited], [Domestic Conference] - Multivariate Data-driven Approaches to Raman Hyper-spectral Images to Diagnose Non-alcoholic Fatty Liver Disease (NAFLD)
Khalifa Mohammad Helal; Harsono Cahyadi; J. Nicholas Taylor; Akira Okajima; Yasuaki Kumamoto; Hideo Tanaka; Yoshinori Harada; Tamiki Komatsuzaki
Annual Conference on Biophysical Society of Japan, 17 Sep. 2018, English, Poster presentation
[Domestic Conference] - Information theoretic approach to reveal singularity in biology
KOMATSUZAKI TAMIKI
Annual Conference on Biophysical Society of Japan, 17 Sep. 2018, English, Invited oral presentation
[Invited], [Domestic Conference] - Normal Forms in Singularity Theory for Geometric Classifications of Band Structures
Hiroshi Teramoto; Asahi Tsuchida; Yutaro Kabata; Kenji Kondo; KatsusukeNabeshima; ShyūichiIzumiya; Mikito Toda; Tamiki Komatsuzaki
Dynamics Days Europe 2018, 03 Sep. 2018, English, Oral presentation
[International presentation] - 一細胞ラマン計測と情報科学の融合による 細胞診断の迅速解析技術の開発
小松崎 民樹
CRESTさきがけ複合領域「情報計測」CREST第3回領域会議, 31 Aug. 2018, Japanese
[Domestic Conference] - Phase Space geometry and Chemical Reaction Dynamics in Driven Systems
KOMATSUZAKI TAMIKI
Telluride Workshop "Geometry of Chemical Reaction Dynamics in Gas and Condensed Phases", 26 Jul. 2018, English, Invited oral presentation
[Invited], [International presentation] - Open questions in Higher rank saddles and related
KOMATSUZAKI TAMIKI
Telluride Workshop "Geometry of Chemical Reaction Dynamics in Gas and Condensed Phases", 24 Jul. 2018, English, Invited oral presentation
[Invited], [International presentation] - How One can Extract Energy Landscape from Single -Molecule Time Series under the Existence of Noise?
KOMATSUZAKI TAMIKI
Telluride Workshop "Biophysical Dynamics", 10 Jul. 2018, English
[Invited], [International presentation] - How One can Extract Energy Landscape from Single-Molecule Time Series under the Existence of Noise?
KOMATSUZAKI TAMIKI
Department Seminar, Johns Hopkins University, Department of Chemistry, 06 Jul. 2018, English, Public discourse
[Invited], [International presentation] - 新概念コンピューティングとは?
小松崎 民樹
平成30年度北海道大学公開講座「去る時代、来る時代を考える」, 02 Jul. 2018, Japanese
[Invited], [Domestic Conference] - 1細胞ラマン分光イメージングに基づく細胞場の分子データ科学
小松崎 民樹
新学術領域研究「分子夾雑化学」 分子夾雑の生命化学 第二回領域会議, 23 May 2018, Japanese
[Domestic Conference] - 1細胞ラマン分光イメージングと情報科学の高度融合を目指して
小松崎 民樹
ImPACT合田プログラム Serendipityセミナー, 20 Apr. 2018, Japanese
[Invited], [Domestic Conference] - Understanding cell colony dynamics from images using velocity extraction and analysis
Sulimon Sattari; Tamiki Komatsuzaki; Schuyler B. Nicholson; Jason R. Green
理研シンポジウム「細胞システムの動態と論理X」, 13 Apr. 2018, Japanese
[Domestic Conference] - 一細胞ラマン計測と情報科学の高度融合による情報計測技術
小松崎 民樹
2017年度第2回バイオ単分子研究会, 29 Mar. 2018, Japanese
[Invited], [Domestic Conference] - Understanding cell colony dynamics from images using velocity extraction and analysis
Sulimon Sattari; Tamiki Komatsuzaki
2017年度日本生物物理学会北海道支部例会, 20 Mar. 2018, Japanese
[Domestic Conference] - Mulitivariate Data-driven approach to Raman Hyper-spectral Images to Diagnose Non-alcoholic Fatty Liver Disease(NAFLD)
Khalifa Mohammad Helal; Harsono Cahyadi; J. Nicholas Taylor; Akira Okajima; Yasuaki Kumamoto; Hideo Tanaka; Yoshinori Harada; Tamiki Komatsuzaki
2017年度日本生物物理学会北海道支部例会, 20 Mar. 2018, Japanese
[Domestic Conference] - 1細胞ラマン分光イメージングと情報科学のinterdependentな融合を目指して
小松崎 民樹
第65回応用物理学会春季学術講演会, 19 Mar. 2018, Japanese
[Invited], [Domestic Conference] - 試行回数の少ない悪腕存在チェックアルゴリズム
田畑 公次; 中村 篤祥; 本多 淳也; 小松崎 民樹
人工知能学会第106回人工知能基本問題研究会, 17 Mar. 2018, Japanese
[Domestic Conference] - 多階層システム生物学におけるデータ駆動科学の展開
田畑公次; 中村篤祥; 小松崎民樹
北海道大学電子科学研究所 平成29年度 研究交流会, 05 Jan. 2018, Japanese
[Domestic Conference] - 北大と日立基礎研センタ連携による新概念コンピューティングの理論と応用
小松崎 民樹
AIMaP 異分野連携のノウハウの共有と水平展開を目指すワークショップ, 26 Dec. 2017, Japanese
[Invited], [Domestic Conference] - 一細胞ラマン計測と情報科学の融合による少数性の生命科学
小松崎 民樹
2017年度生命科学系学会合同年次大会, 07 Dec. 2017, Japanese
[Invited], [Domestic Conference] - ラマン分光イメージング計測と情報科学との高度融合
小松崎民樹; 中村篤祥; 藤田克昌; 原田義規
2017年度 人・環境と物質をつなぐイノベーション創出 ダイナミックアライアンスG3分科会ー異分野融合とイノベーション創出を目指してー, 28 Nov. 2017, Japanese
[Domestic Conference] - ラマン分光イメージングにおける情報計測技術の展開
小松崎 民樹
基盤(S) 離散構造処理系プロジェクト 「2017年度 秋のワークショップ」, 13 Nov. 2017, Japanese
[Domestic Conference] - グレイゾーン幅を利用した悪腕存在チェックアルゴリズム
田畑 公次; 中村 篤祥; 本多 淳也; 小松崎 民樹
第20回情報論的学習理論ワークショップ, 09 Nov. 2017, Japanese
[Domestic Conference] - How one can extract energy landscape from single molecule time series under the existence of noise?
KOMATSUZAKI TAMIKI
The 2nd Korea-Japan Joint Symposium on Single-Molecule Biophysics, 08 Nov. 2017, English
[Invited], [International presentation] - ラマンスペクトルで細胞の病態を分ける-PCAとランダムフォレストを用いて-
山田 寛子; 田畑公次; Khalifa Mohammad Helal; Harsono Cahyadi; J. Nicholas Taylor; 伊藤創祐; 熊本康昭; 田中秀央; 原田義規; 小松崎民樹
研究会「理論と実験」2017, 06 Oct. 2017, Japanese
[Domestic Conference] - 断熱エネルギー面交差近傍でのハミルトニアンの特異点論による分類
寺本央; 泉屋周一; 小松崎民樹
日本物理学会2017年秋季大会, 24 Sep. 2017, Japanese
[Domestic Conference] - How can one quantify singularity in cells from Single Cell Raman Imaging?
KOMATSUZAKI TAMIKI
第55回日本生物物理学会年会, 20 Sep. 2017, Japanese
[Invited], [Domestic Conference] - Information-theoretical data analysis approaches to Raman micro-spectroscopic images
Helal Khalifa mohammad,Cahyadi Harsono; Taylor; J. nicholas; Okajima Akira; Kumamoto Yasuaki; Tanaka Hideo; Harada Yoshinori; Komatsuzaki Tamiki
第11回分子科学討論会, 15 Sep. 2017, English
[Domestic Conference] - Energy landscapes learned from single molecule FRET time series: Role of Photobleaching
KOMATSUZAKI TAMIKI
Deciphering complex energy landscape and kinetic network from single molecules to cells: a new challenge to make theories meet experiments, 07 Sep. 2017, English
[Invited], [International presentation] - Global Transition States in Reaction Network
KOMATSUZAKI TAMIKI
Telluride Workshop on Chemistry & Dynamics in Complex Environments, 29 Jun. 2017, English
[Invited], [International presentation] - Data-driven mathematics in single cell Raman imaging
KOMATSUZAKI TAMIKI
Telluride Workshop on The Complexity of Dynamics and Kinetics from Single Molecules to Cells, 20 Jun. 2017, English
[Invited], [International presentation] - 多階層システム生物学におけるデータ駆動科学の展開
小松崎 民樹
「新学術領域研究」スパースモデリングの深化と高次元データ駆動科学の創成 2017年度第1回公開シンポジウム, 05 Jun. 2017, Japanese
[Domestic Conference] - 一細胞ラマン計測と情報科学の融合による細胞診断
小松崎 民樹
2017年度人工知能学会全国大会, 24 May 2017, Japanese
[Invited], [Domestic Conference] - 1細胞ラマンスペクトル画像から抽出する細胞状態タキソノミ―
小松崎 民樹
平成28年度新分野創成センターイメージングサイエンス研究分野プロジェクト成果発表会, 23 Mar. 2017, Japanese
[Domestic Conference] - 1細胞ラマン分光イメージング画像から読み解く情報計測科学
小松崎 民樹
バイオ計測解析技術研究会, 19 Mar. 2017, Japanese
[Domestic Conference] - Data-Driven Analysis of Raman Microscopic Images
J.N. Taylor; C.-B. Li; K. Fujita; T. Komatsuzaki
電子科学研究所 研究交流会, 06 Jan. 2017, English
[Domestic Conference] - 分子から細胞の個性に関するデータ駆動型数理科学
小松崎 民樹
第1117回生物科学セミナー, 15 Dec. 2016, Japanese
[Invited], [Domestic Conference] - The Non-equilibrium Effects on Reaction Kinetics of F1-ATPase
Yuji Tamiya; Chun-Biu Li; Rikiya Watanabe; Hiroyuki Noji; Tamiki Komatsuzaki
The 17th RIES-Hokudai International Symposium, 13 Dec. 2016, English
[International presentation] - Data-Driven Approaches to Raman Microscopic Image Analysis
J.N. Taylor; Chun-Biu Li; Katsumasa Fujita; Tamiki Komatsuzaki
The 17th RIES-Hokudai International Symposium, 13 Dec. 2016, English
[International presentation] - Dynamical Heterogeneity During Collective Migration of MDCK Epithelial Monolayer
Preetom Nag; Khalifa Mohammad Helal; Hiroshi Teramoto; Chun-Biu Li; Hisashi Haga; Tamiki Komatsuzaki
The 17th RIES-Hokudai International Symposium, 13 Dec. 2016, English
[International presentation] - Collective Cell Migration: Underlying Dynamics and Emergent Structures of Heterogeneity
Khalifa Mohammad Helal; Preetom Nag; Hiroshi Teramoto; Chun Biu Li; Hisashi Haga; Tamiki Komatsuzaki
The 17th RIES-Hokudai International Symposium, 13 Dec. 2016, English
[International presentation] - マイノリティ細胞を彫りだすデータ科学
小松崎 民樹
第39回日本分子生物学会年会, 01 Dec. 2016, Japanese
[Invited], [Domestic Conference] - Predicting Biological Cell Aggregation Using Scalable Random Forest Decision Trees
SATTARI, Sulimon; KOMATSUZAKI, Tamiki
The 18th RIES-Hokudai International Symposium, 30 Nov. 2016, English
[International presentation] - Apparent Nonequilibrium Behavior in Single-Molecule FRET Time-Series Induced by Photophysics
J. Nicholas Taylor; Tamiki Komatsuzaki
The 18th RIES-Hokudai International Symposium, 30 Nov. 2016, English
[International presentation] - Bad Arm Existence Checking Algorithm
Koji Tabata; Atsuyoshi Nakamura; Tamiki Komatsuzaki
The 18th RIES-Hokudai International Symposium, 30 Nov. 2016, English
[International presentation] - Raman Microscopic Image Analysis based on Information-theoretic Approach
Khalifa Mohammad Helal; Harsono Cahyadi; J. Nicholas Taylor; Akira Okajima; Yasuaki Kumamoto; Hideo Tanaka; Yoshinori Harada; Tamiki Komatsuzaki
The 18th RIES-Hokudai International Symposium, 30 Nov. 2016, English
[International presentation] - Toward Molecular Propagation through Degenerated Electron Energy Level Crossings
Hiroshi Teramoto; Shyūichi Izumiya; Tamiki Komatsuzaki
The 18th RIES-Hokudai International Symposium, 30 Nov. 2016, English
[International presentation] - Spatial heterogeneous and transient dynamics during collective cell migration in a monolayer of MDCK epithelial cells
Nag Preetom; Khalifa Helal; Teramoto Hiroshi; Yamaguchi Naoya; Li Chun-Biu; Haga Hisashi; Komatsuzaki Tamiki
第54回日本生物物理学会年会, 26 Nov. 2016, English
[Domestic Conference] - 1細胞ラマン分光イメージングから如何にして細胞の個性を定量化するか?
小松崎 民樹
第54回日本生物物理学会年会, 25 Nov. 2016, Japanese
[Invited], [Domestic Conference] - Data Driven Approaches to Raman Microscopic Analysis
J. N. Taylor; K. Fujita; T. Komatsuzaki
第54回日本生物物理学会年会, 25 Nov. 2016, English
[Domestic Conference] - 一細胞ラマン計測とスパース学習、バンディット手法などの情報科学の融合による細胞診断の迅速解析
小松崎 民樹
基盤(S)離散構造処理系プロジェクト「2016年度 秋のワークショップ」, 21 Nov. 2016, Japanese
[Domestic Conference] - 一細胞ラマン計測と情報科学の融合による細胞診断の迅速解析技術の開発
小松崎 民樹
CREST・さきがけ複合領域 「計測技術と高度情報処理の融合によるインテリジェント計測・解析手法の開発と応用」, キックオフ会議, 11 Nov. 2016, Japanese
[Invited], [Domestic Conference] - 少数系から複雑反応ネットワークを含む遷移状態概念の深化と制御
小松崎 民樹
特設分野研究「遷移状態制御」研究代表者交流会, 12 Oct. 2016, Japanese
[Invited], [Domestic Conference] - Data-Driven Approaches to Raman Microscopic Image Analysis
J. N. Taylor; K. Fujita; T. Komatsuzaki
「理論と実験」研究会2016, 07 Oct. 2016, English
[Domestic Conference] - Molecular Functions and Energy Landscapes Extracted from Single Molecule Time Series Data
KOMATSUZAKI TAMIKI
HOKUDAI-NCTU Joint Symposium on Nano, Photo and Bio Sciences in 2016, 04 Oct. 2016, English
[Invited], [International presentation] - 時間解像度に依存した反応ネットワークの階層的変化とその予測手法の開発
永幡 裕; 前田 理; 寺本 央; 武次 徹也; 小松崎 民樹
分子科学討論会2016, 14 Sep. 2016, Japanese
[Domestic Conference] - A kinetic disconnectivity graph to decode timescale hierarchy buried in reaction networks
KOMATSUZAKI TAMIKI
Energy Landscapes: Theory and Applications, 28 Jun. 2016, English
[Invited], [International presentation] - Phase Space geometry and Chemical Reaction Dynamics: Past, Present, and Future
KOMATSUZAKI TAMIKI
Seminar of the ICB/Nanosciences department, 21 Jun. 2016, English
[Invited], [International presentation] - Single Molecule Biophysics: How can One extract the Underlying Markovian/non-Markovian Network from Noisy and Short Time Series?
KOMATSUZAKI TAMIKI
IXXI-ENS Lyon seminar, 17 Jun. 2016, English
[Invited], [International presentation] - Defining Global Transition State over an Entire Markov Network
KOMATSUZAKI TAMIKI
Seminar of the ICB/Nanosciences department, 14 Jun. 2016, English
[Invited], [International presentation] - Single Molecule Biophysics: How can One Dig the Underlying Network from Noisy and Short Time Series?
KOMATSUZAKI TAMIKI
Seminar of the ICB/Nanosciences department, 10 Jun. 2016, English
[Invited], [International presentation] - Defining Global Transition State over an Entire Markov Network
KOMATSUZAKI TAMIKI
Seminar at Beijing Computational Science Research Center, 24 May 2016, English
[Invited], [International presentation] - 化学反応の行き先を変えるスイッチ―エネルギーの上昇で反応経路が切り替わる新奇現象
小松崎民樹; 寺本央; 戸田幹人; 河野裕彦; 高橋正彦
附置研究所間アライアンスによるナノとマクロをつなぐ物質・デバイス・システム創製戦略プロジェクト 平成27年度成果報告会, 17 May 2016, Japanese
[Domestic Conference] - シロイヌナズナの萼片組織に見る植物細胞集団の振動現象
小松崎 民樹
理研シンポジウム: 細胞システムの動態と論理VIII, 14 Apr. 2016, Japanese
[Domestic Conference] - Classification of Electron Energy Level Crossings in terms of the Theory of Singularities and Analysis of Non-Adiabatic Transitions around the Crossings
Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki
第89回現象数理セミナー, 06 Apr. 2016, Japanese
[Domestic Conference] - Molecular Data Science Perspectives for Individuality Covering from Molecules to Cells
KOMATSUZAKI TAMIKI
統合生命医科学研究センター疾患生物学セミナー, 18 Mar. 2016, Japanese
[Invited], [Domestic Conference] - Classification of Electron Energy Level Crossings in terms of the Theory of Singularities and Analysis of Non-Adiabatic Transitions around the Crossings
Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki
Computational Chemistry (CC) Symposium in ICCMSE, 17 Mar. 2016, English
[Invited], [International presentation] - The key and unlock mechanisms in F1-ATPase unveiled by single molecule time series analysis
Chun-Biu Li; Hiroshi Ueno; Rikiya Watanabe; Hiroyuki Noji; Tamiki Komatsuzaki
新学術領域「少数性生物学」 研究成果報告会, 15 Mar. 2016, Japanese
[Domestic Conference] - 少数性生物学の新展開:分子個性から細胞個性へ
小松崎 民樹
新学術領域「少数性生物学」 研究成果報告会, 15 Mar. 2016, Japanese
[Domestic Conference] - Classification of Electron Energy Level Crossings in terms of the Theory of Singularities and Analysis of Non-Adiabatic Transitions around the Crossings
寺本央; 戸田幹人; 小松崎民樹
偏微分方程式姫路研究会, 03 Mar. 2016, Japanese
[Domestic Conference] - Data-driven quantification of heterogeneous microenvironments in live-cell Raman microscopic images
J. Nick Taylor; Almar F. Palonpon; Chun Biu Li; Katsumasa Fujita; Tamiki Komatsuzaki
The Biophysical Society 2016 BPS Annual Meeting, 27 Feb. 2016, English
[International presentation] - On the Relationship between Local Microtubule and Cell Growth in Plants
津川 暁; Chun Biu Li; 小松崎 民樹
Mathematical Sciences Evening Seminar, 19 Feb. 2016, Japanese
[Domestic Conference] - 生物個性学:分子から細胞へ
小松崎 民樹
少数性生物学研究会2016~少数性生物学の未来を語る~, 14 Feb. 2016, Japanese
[Domestic Conference] - Correlated Oscillation in Microtubule Fluctuation and Cell Growth in Arabidopsis Sepal
津川 暁; Chun Biu Li; 小松崎 民樹
第132回植物科学セミナー, 25 Jan. 2016, Japanese
[Domestic Conference] - Toward deciphering cell individuality in systems biology
KOMATSUZAKI TAMIKI
Symposium #137 Life at Small Copy Numbers (The 2015 International Chemical Congress of Pacific Basin Societies), 20 Dec. 2015, English
[Invited], [International presentation] - Data-driven quantification of heterogeneous microenvironments in live-cell Raman microscopic images
J. Nick Taylor; Almar F. Palonpon; Chun Biu Li; Katsumasa Fujita; Tamiki Komatsuzaki
Symposium #121 Deciphering molecular complexity from protein functions to cellular network (The 2015 International Chemical Congress of Pacific Basin Societies), 16 Dec. 2015, English
[International presentation] - Energy landscapes and conformation network learned from single molecule time series
KOMATSUZAKI TAMIKI
Symposium #121 Deciphering molecular complexity from protein functions to cellular network (The 2015 International Chemical Congress of Pacific Basin Societies), 15 Dec. 2015, English
[Invited], [International presentation] - 特異点論によるバンド間交差の分類
寺本 央; 戸田 幹人; 近藤 憲治; 小松崎 民樹
第1回「トポロジーが紡ぐ物質科学のフロンティア」領域研究会, 11 Dec. 2015, Japanese
[Domestic Conference] - Dynamical Reaction Theory: Beyond the conventional perturbation theory
Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki
Colloquium on kinetics and scattering theory for astrophysics (Nov 26-27) (in a part of the extended workshop “Theory of Gas Phase Scattering and Reactivity for Astrophysics(Nov 23-Dec 8)” along COST ‘Our chemical History’Action CM1401), 27 Nov. 2015, English
[Invited], [International presentation] - Phase Space geometry and Chemical Reaction Dynamics: Past, Present, and Future
KOMATSUZAKI TAMIKI
Colloquium on kinetics and scattering theory for astrophysics (Nov 26-27) (in a part of the extended workshop “Theory of Gas Phase Scattering and Reactivity for Astrophysics(Nov 23-Dec 8)” along COST ‘Our chemical History’Action CM1401), 27 Nov. 2015, English
[Invited], [International presentation] - Developing high precision algorithm to predict observation timescale hierarchy of an isomerization reaction network
Yutaka Nagahata; Satoshi Maeda; Hiroshi Teramoto; Chun-Biu Li; Tetsuya Taketsugu; Tamiki Komatsuzaki
The 16th RIES-Hokudai International Symposium, 10 Nov. 2015, English
[International presentation] - Classification and Control of electron energy level crossings in terms of the theory of singularity
Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki
The 16th RIES-Hokudai International Symposium, 10 Nov. 2015, English
[International presentation] - Kinetics of Multiple conductance levels of Mechanosensitive Ion Channel
Genming Wang; Chun-Biu Li; Hitoshi Tatsumi; Tamiki Komatsuzaki
The 16th RIES-Hokudai International Symposium, 10 Nov. 2015, English
[International presentation] - The Onset of Non-equilibrium Effects at High Temperature in the Reaction Kinetics of F1-ATPase
Yuji Tamiya; Chun-Biu Li; Rikiya Watanabe; Hiroyuki Noji; Tamiki Komatsuzaki
The 16th RIES-Hokudai International Symposium, 10 Nov. 2015, English
[International presentation] - マルコフ連鎖の時間階層的クラスタリング
永幡 裕; 前田 理; 寺本 央; Chun-Biu Li; 武次 徹也; 小松崎 民樹
ERATO湊離散構造処理系プロジェクト 「2015年度 秋のワークショップ」, 08 Nov. 2015, Japanese
[Domestic Conference] - Single Molecule Biophysics: How can One Dig the Underlying Network from Noisy and Short Time Series?
KOMATSUZAKI TAMIKI
International Conference on “Challenges in Data Science: a Complex Systems Perspective, 14 Oct. 2015, English
[Invited], [International presentation] - 細胞内レベルでの微小管配向の抽出
津川 暁; Chun Biu Li; 小松崎 民樹
「理論と実験」研究会2015, 09 Oct. 2015, Japanese
[Domestic Conference] - The temperature dependence and non-equilibrium properties of the single F1-ATPase kinetics
田宮 裕治; Chun Biu Li; 渡邉 力也; 野地 博行; 小松崎 民樹
「理論と実験」研究会2015, 08 Oct. 2015, Japanese
[Domestic Conference] - Identifying Different Reaction Processes in terms of Graph Laplacian
Hiroshi Teramoto; Alireza Hadjighasem; Daniel Karrasch; George Haller; Tamiki Komatsuzaki
ランダム力学系理論とその応用, 30 Sep. 2015, Japanese
[Invited], [Domestic Conference] - 1分子時系列データから解読するエネルギー地形とネットワーク
小松崎 民樹
「データ駆動科学の新展開」ミニ研究会, 24 Sep. 2015, Japanese
[Invited], [Domestic Conference] - 非平衡効果が引き起こすF1分子モーターの非アレニウス型温度依存性
田宮 裕治; Chun-Biu Li; 渡邉 力也; 野地 博行; 小松崎 民樹
第9回分子化学討論会, 16 Sep. 2015, Japanese
[Domestic Conference] - 複雑分子系の異性化反応ネットワークに埋め込まれた時間階層構造の解読
永幡 裕; 前田 理; 寺本 央; Chun-Biu Li; 堀山 貴史; 武次 徹也; 小松崎 民樹
第9回分子化学討論会, 16 Sep. 2015, Japanese
[Domestic Conference] - 特異点論を用いた非断熱交差の安定性と分岐の解析
寺本央; 戸田幹人; 小松崎民樹
日本物理学会2015年秋季大会, 16 Sep. 2015, Japanese
[Domestic Conference] - 複合化学反応系の分子シミュレーション-第一原理シミュレーションから分子技術へ-
永幡 裕; 前田 理; 寺本 央; Chun-Biu Li; 武次 徹也; 小松崎 民樹
化学反応経路探索のニューフロンティア, 15 Sep. 2015, Japanese
[Domestic Conference] - 少数系から複雑反応ネットワークを含む遷移状態概念の深化と制御
小松崎 民樹
特設分野「遷移状態制御」研究代表者交流会, 14 Sep. 2015, Japanese
[Invited], [Domestic Conference] - 複雑反応ネットワークに埋め込まれた時間階層構造の解読
永幡 裕; 前田 理; 寺本 央; Chun-Biu Li; 堀山 貴史; 武次 徹也; 小松崎 民樹
第53回日本生物物理学会, 14 Sep. 2015, Japanese
[Domestic Conference] - 植物の中の局所微小管と細胞成長の関係について
Satoru Tsugawa; Chun-Biu Li; Tamiki Komatsuzaki
第53回日本生物物理学会, 13 Sep. 2015, Japanese
[Domestic Conference] - 非平衡効果が引き起こすF1分子モーターの非アレニウス型温度依存性
田宮 裕治; Chun-Biu Li; 渡邉 力也; 野地 博行; 小松崎 民樹
第53回日本生物物理学会, 13 Sep. 2015, Japanese
[Domestic Conference] - Single Molecule Time Series Analysis of F1-ATPase to Unravel the Role of Bound-ATP Hydrolysis
Chun-Biu Li; Tamiki Komatsuzaki
第53回日本生物物理学会, 13 Sep. 2015, English
[Domestic Conference] - Classification and control of electron energy level crossings
Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki
北大理論化学ワークショッ プ, 11 Sep. 2015, Japanese
[Domestic Conference] - 審査員の経験からみたポイント
小松崎 民樹
平成27年度 北海道大学科研費申請セミナー, 11 Sep. 2015, Japanese
[Invited], [Domestic Conference] - A Global Dynamical Switching of a Reaction Coordinate and its Experimental Observability
Hiroshi Teramoto; Mikito Toda; Masahiko Takahashi; Hirohiko Kohno; Tamiki Komatsuzaki
Telluride summer workshop “Geometry of Chemical Reaction Dynamics”, 01 Aug. 2015, English
[Invited], [International presentation] - Transition States from Gas Phase, Condensed Phase to Complex Networks
KOMATSUZAKI TAMIKI
Telluride summer workshop “Geometry of Chemical Reaction Dynamics”, 01 Aug. 2015, English
[Invited], [International presentation] - 複雑な異性化反応ネットワークに埋め込まれた時間階層構造の解読法の開発
永幡 裕; 前田 理; 寺本 央; Chun-Biu Li; 堀山 貴史; 武次 徹也; 小松崎 民樹
日本化学会北海道支部 2015年 夏季研究発表会, 18 Jul. 2015, Japanese
[Domestic Conference] - Sumi-Marcus 型ポテンシャルモデルを用いた F1分子モーターの反応速度定数の解析
田宮 裕治; Chun-Biu Li; 渡邉 力也; 野地 博行; 小松崎 民樹
日本化学会北海道支部 2015年 夏季研究発表会, 18 Jul. 2015, Japanese
[Domestic Conference] - グラフラプラシアンによる異なる反応プロセスの同定
寺本 央; Alireza Hadjighasem; Daniel Karrasch; George Haller; 小松崎 民樹
RIMS 研究集会『力学系とその諸分野への応用』, 02 Jul. 2015, Japanese
[Domestic Conference] - 一細胞計測で見えてきたバクテリア細胞内ATP濃度の多様性
柳沼秀幸; 河合信之輔; 田端和仁; 冨山佳祐; 垣塚彰; 小松崎民樹; 岡田康志; 野地博行; 今村博臣
第67回日本細胞生物学会大会, 30 Jun. 2015, Japanese
[Domestic Conference] - How can we define a transition state over a network?
KOMATSUZAKI TAMIKI
R. Stephen Berry Tribune Symposium, 26 Jun. 2015, English
[Invited], [International presentation] - A kinetic disconnectivity graph to decode timescale hierarchy buried in reaction networks
KOMATSUZAKI TAMIKI
Chemistry and Dynamics in Complex Environments, 23 Jun. 2015, English
[Invited], [International presentation] - Error-based Extraction of States and Energy Landscapes from Experimental Single-Molecule Time-Series
Nick Taylor; Chun Biu Li; David R. Cooper; Christy F. Landes; Tamiki Komatsuzaki
The Complexity of Dynamics and Kinetics from Single Molecules to Cells, 18 Jun. 2015, English
[International presentation] - Energy Landscapes learned from Single-Molecule Time-Series: Dimensionality and Disconnectivity Graph
KOMATSUZAKI TAMIKI
The Complexity of Dynamics and Kinetics from Single Molecules to Cells, 15 Jun. 2015, English
[International presentation] - マルコフ連鎖の時間階層的クラスタリング
永幡 裕; 前田 理; 寺本 央; Chun-Biu Li; 武次 徹也; 小松崎 民樹
ERATO湊離散構造処理系プロジェクト 「2015年度 初夏のワークショップ」, 11 Jun. 2015, Japanese
[Domestic Conference] - 「モデル先行の科学」から「データから彫りだす科学」へ
小松崎 民樹
「俺が考える少数性生物学の次」討論会 新学術領域「少数性生物学」第9回領域会議, 07 Jun. 2015, Japanese
[Domestic Conference] - 少数分子反応ネットワーク理論の構築 (7)
冨樫 祐一; 小松崎 民樹; 李 振風; 寺本 央; 新海 創也; Holger Flechsig; James Nick Taylor; 中川 正基
新学術領域「少数性生物学」第9回領域会議, 06 Jun. 2015, Japanese
[Domestic Conference] - Deciphering timescale hierarchy encoded in complex reaction networks
NAGAHATA Yutaka; MAEDA Satoshi; TERAMOTO Hiroshi; LI Chun-Biu; HORIYAMA Takashi; TAKETSUGU Tetsuya; KOMATSUZAKI Tamiki
31st Symposium on Chemical Kinetics and Dynamics, 03 Jun. 2015, English
[International presentation] - A Global Dynamical Switching of a Reaction Coordinate and its Experimental Observability
Hiroshi Teramoto; Mikito Toda; Masahiko Takahashi; Hirohiko Kono; Tamiki Komatsuzaki
31st Symposium on Chemical Kinetics and Dynamics, 03 Jun. 2015, English
[International presentation] - A Dynamical Switching of Reactive and Nonreactive Modes at High Energies
Tamiki Komatsuzaki; Mikito Toda; Hiroshi Teramoto
2015 SIAM Conference on Dynamical Systems, 20 May 2015, English
[International presentation] - A Dynamical Switching of Reactive and Nonreactive Modes at High Energies epartment of Chemistry and Chemical Biology
KOMATSUZAKI TAMIKI
Department Seminar in Department of Chemistry and Chemical Biology, 15 May 2015, English
[Invited], [International presentation] - Error-based Extraction of Effective Free Energy Landscapes from Experimental Single-Molecule Time-Series
KOMATSUZAKI TAMIKI
Department Seminar in Department of Chemistry, 08 May 2015, English
[Invited], [International presentation] - Identifying different reaction processes in terms of graph laplacian
Hiroshi Teramoto; Tamiki Komatsuzaki
IlLuminyating 2015, 07 May 2015, English
[Invited], [International presentation] - 蛍光画像から微小管配向構造の抽出
津川 暁; Chun Biu Li; 小松崎 民樹
早稲田大学相澤研究室研究会, 25 Apr. 2015, Japanese
[Domestic Conference] - A Global Dynamical Switching of a Reaction Coordinate and its Experimental Observability
小松崎民樹; 戸田幹人; 寺本央; 河野裕彦; 高橋正彦
平成26年度アライアンス成果報告会, 21 Apr. 2015, Japanese
[Domestic Conference] - 蛍光画像から微小管配向構造を抽出する方法について
津川 暁; Chun Biu Li; 小松崎 民樹
理研シンポジウム「細胞システムの動態と論理 Ⅶ」, 03 Apr. 2015, Japanese
[Domestic Conference] - F1 分子モーターの温度依存性
田宮 裕治; Chun Biu Li; 渡邉 力也; 野地 博行; 小松崎 民樹
理研シンポジウム「細胞システムの動態と論理 Ⅶ」, 02 Apr. 2015, Japanese
[Domestic Conference] - Energy landscapes derived from single molecule spectroscopy and complex networks
KOMATSUZAKI TAMIKI
Architecture, dynamics, and functionality of molecular biosystems, 31 Mar. 2015, English
[Invited], [International presentation] - Understandings of Chemical Reaction Dynamics in terms of Dynamical System Theory
Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki
Computational Chemistry (CC) Symposium in ICCMSE, 20 Mar. 2015, English
[Invited], [International presentation] - 単一バクテリア細胞内ATP濃度の多様性
柳沼秀幸; 河合信之輔; 田端和仁; 冨山佳祐; 垣塚彰; 小松崎民樹; 岡田康志; 野地博行; 今村博臣
生命動態の分子メカニズムと数理 生命動態システム科学四拠点・CREST・PRESTO合同シンポジウム, 16 Mar. 2015, Japanese
[Domestic Conference] - Fast Step Transition and State Identification (STaSI) for Discrete Single-Molecule Data Analysis
B. Shuang; D. Cooper; J. N. Taylor; L. Kisley; J. Chen; W. Wang; C.-B. Li; T. Komatsuzaki; C. F. Landes
2015 Oil & Gas High Performance Computing Workshop, 05 Mar. 2015, English
[International presentation] - Timescale hierarchies of complex reaction network
永幡 裕; 寺本 央; 堀山 貴史; Chun-Biu Li; 小松崎 民樹
Workshop on dynamical systems and computation 2015, 04 Mar. 2015, English
[International presentation] - Hierarchical structure of no-return transition states
KOMATSUZAKI TAMIKI
Spectroscopy and Dynamics of Molecules and Clusters 2015, 21 Feb. 2015, English
[Invited], [International presentation] - Chance and necessity in reactions under thermal fluctuation & chaos Department of Chemistry
KOMATSUZAKI TAMIKI
Indian Institute of Technology Kanpur seminar, 17 Feb. 2015, English
[Invited], [International presentation] - 少数分子反応ネットワーク理論の構築 (4)
冨樫 祐一; 小松崎 民樹; 李 振風; 寺本 央; 新海 創也
新学術領域研究「少数性生物学」第8回領域会議, 30 Jan. 2015, Japanese
[Domestic Conference] - Data Scientific Approaches to the Quantification and Interpretation of Raman Microscopic Images of Living Cells
J. Nick Taylor; Chun-Biu Li; Tamiki Komatsuzaki
新学術領域研究「少数性生物学」第8回領域会議, 29 Jan. 2015, English
[Domestic Conference] - Survey and study on effects of discreteness and fewness in chemical reaction dynamics
Hiroshi Teramoto; Tamiki Komatsuzaki
新学術領域研究「少数性生物学」第8回領域会議, 29 Jan. 2015, Japanese
[Domestic Conference] - Developing “hierarchical” spectral clustering decoded by the mathematical nature of a Markov chain: - timescale hierarchical nature of isomerization reaction network of C5H8O -
永幡 裕; 寺本 央; Chun-Biu Li; 小松崎 民樹
河原林/湊プロジェクト合同WS予餞会Winter2015, 23 Jan. 2015, Japanese
[Domestic Conference] - Markov連鎖の持つ時間階層構造について:複雑分子系の異性化反応ネットワークを例に
永幡 裕; 寺本 央; 堀山 貴史; Chun-Biu Li; 小松崎 民樹
非平衡ダイナミクスセミナー, 15 Jan. 2015, Japanese
[Invited], [Domestic Conference] - 力学系理論による化学反応動力学の解明
小松崎 民樹
電子科学研究所・研究交流会, 09 Jan. 2015, Japanese
[Domestic Conference] - Fast Step Transition and State Identification (STaSI) for Discrete Single-Molecule Data Analysis
Bo Shuang; David Cooper; J. Nick Taylor; Lydia Kisley; Jixin Chen; Wenxiao Wang; Chun Biu Li; Tamiki Komatsuzaki; Chrisy Landes
The 2015 Quantitative BioImaging Conference, 07 Jan. 2015, English
[International presentation] - Error-based Extraction of Effective Free Energy Landscapes from Experimental Single-Molecule Time-Series
KOMATSUZAKI TAMIKI
The 8th biennial workshop on Single Molecule Biophysics (SMB), 04 Jan. 2015, English
[International presentation] - ボトムアップとトップダウンの橋渡し:少数性⽣物学のおける分⼦個性
小松崎 民樹
第3 回 少数性⽣物学討論会, 20 Dec. 2014, Japanese
[Domestic Conference] - An extraction method of local microtubule alignments in Arabidopsis sepal
Satoru Tsugawa; Chun-Biu Li; Tamiki Komatsuzaki
The 15th Ries-Hokudai International Symposium 響[hibiki], 16 Dec. 2014, English
[International presentation] - Error-based Extraction of Effective Free Energy Landscapes from Experimental Single-Molecule Time-Series
J.N. Taylor; Chun Biu Li; David R. Cooper; Christy F. Landes; Tamiki Komatsuzaki
The 15th Ries-Hokudai International Symposium 響[hibiki], 16 Dec. 2014, English
[International presentation] - Temperature Dependence of Molecular Motor
Yuji Tamiya; Chun-Biu Li; Rikiya Watanabe; Hiroyuki Noji; Tamiki Komatsuzaki
The 15th Ries-Hokudai International Symposium 響[hibiki], 16 Dec. 2014, English
[International presentation] - An extraction of embedded timescale hierarchies buried in complex reaction network
Yutaka Nagahata; Satoshi Maeda; Hiroshi Teramoto; Chun-Biu Li; Takashi Horiyama; Tetsuya Taketsugu; Tamiki Komatsuzaki
The 15th Ries-Hokudai International Symposium 響[hibiki], 16 Dec. 2014, English
[International presentation] - Local-heterogeneous responses and transient dynamics in colloidal fluids
Preetom Nag; Hiroshi Teramoto; Chun Biu Li; Joseph Z. Terdik; Norbert F. Scherer; Tamiki Komatsuzaki
The 15th Ries-Hokudai International Symposium 響[hibiki], 16 Dec. 2014, English
[International presentation] - Dynamic Disorder in Single Enzyme Experiments: Facts and Artifacts
KOMATSUZAKI TAMIKI
附置研究所間アライアンスによるナノとマクロをつなぐ物質・デバイス・システム創製戦略プロジェクト(ナノマクロ物質・デバイス・システム創製アライアンス), 医療材料・デバイス・システムグループ G3 分科会, G3 Meeting, 21 Nov. 2014, Japanese
[Domestic Conference] - A kinetic disconnectivity graph to decode timescale hierarchy buried in reaction networks
KOMATSUZAKI TAMIKI
XIXth International Workshop on Quantum Systems in Chemistry, Physics and Biology, 16 Nov. 2014, English
[Invited], [International presentation] - Data Driven Approach to Dynamics of Protein Motor
Yuji Tamiya; Chun-Biu Li; Rikiya Watanabe; Hiroyuki Noji; Tamiki Komatsuzaki
New Challenges in Complex Systems Science, 25 Oct. 2014, English
[International presentation] - Chemical Reaction Dynamics and Chaos
KOMATSUZAKI TAMIKI
New Challenges in Complex Systems Science, 24 Oct. 2014, English
[Invited], [International presentation] - ボトムアップとトップダウンの橋渡し:少数性生物学のおける分子個性
小松崎 民樹
第2回少数性生物学討論会, 22 Oct. 2014, Japanese
[Domestic Conference] - 複雑分子系の構造異性化反応ネットワークに埋め込まれた時間階層構造の抽出
永幡 裕; 前田 理; 寺本 央; Chun-Biu Li; 堀山 貴史; 武次 徹也; 小松崎 民樹
研究会「理論と実験」2014, 10 Oct. 2014, Japanese
[Domestic Conference] - 熱揺らぎに埋もれた力学的な反応経路
小松崎 民樹
研究会「理論と実験」2014, 09 Oct. 2014, Japanese
[Invited], [Domestic Conference] - A Dynamical Switching of Reactive Mode ⇔ Nonreactive Mode at High Energies for a Hydrogen Atom in Crossed Electric and Magnetic Fields
KOMATSUZAKI TAMIKI
11th Asian International Seminar on Atomic and Molecular Physics, 08 Oct. 2014, English
[Invited], [International presentation] - 複雑分子系の異性化反応ネットワークに埋め込まれた時間階層構造の抽出
永幡 裕; 前田 理; 寺本 央; Chun-Biu Li; 堀山 貴史; 武次 徹也; 小松崎 民樹
第52回日本生物物理学会年会, 27 Sep. 2014, Japanese, Poster presentation
[Domestic Conference] - 分子個性と少数性
小松崎 民樹
第52回日本生物物理学会年会, 26 Sep. 2014, Japanese, Oral presentation
[Domestic Conference] - Dynamical heterogeneity and dynamics of cage breaking and formation in colloidal fluids
Nag Preetom; Teramoto Hiroshi; Li Chun-Biu; Komatsuzaki Tamiki
第52回日本生物物理学会年会, 25 Sep. 2014, English, Poster presentation
[Domestic Conference] - 複雑分子系の異性化反応ネットワークに埋め込まれた時間階層構造の抽出
永幡 裕; 前田 理; 寺本 央; Chun-Biu Li; 堀山 貴史; 武次 徹也; 小松崎 民樹
第8回分子科学討論会, 21 Sep. 2014, Japanese, Oral presentation
[Domestic Conference] - 少数性の生物学において顕在化する分子個性
小松崎 民樹
日本物理学会2014年秋季大会, 09 Sep. 2014, Japanese, Invited oral presentation
[Invited], [Domestic Conference] - 正準変換摂動理論の有効領域の拡張法とそれによる振動子間の非線系共鳴によるエネルギー移動の解明
寺本央; 戸田幹人; 小松崎民樹
日本物理学会2014年秋季大会, 09 Sep. 2014, Japanese, Oral presentation
[Domestic Conference] - 複雑分子系に埋め込まれた時間階層構造が映す化学分野の“非常識”
永幡 裕; 前田 理; 寺本 央; Chun-Biu Li; 堀山 貴史; 武次 徹也; 小松崎 民樹
ERATO湊離散構造処理系プロジェクト 「2014年度 秋のワークショップ」, 09 Sep. 2014, Japanese, Poster presentation
[Domestic Conference] - 非線形時系列解析による分子の振動エネル ギー移動の解析
寺本央; 戸田幹人; 小松崎民樹
北大理論化学合同Workshop, 01 Sep. 2014, Japanese, Oral presentation
[Domestic Conference] - F1 分子モーターにおける温度依存性の高い反応段階について
田宮 裕治; Chun-Biu Li; 渡邉力也; 野地博行; 小松崎民樹
北大理論化学合同Workshop, 01 Sep. 2014, Japanese, Oral presentation
[Domestic Conference] - Energy landscapes learned from time series and networks
KOMATSUZAKI TAMIKI
Energy Landscapes : From Single Molecules to Soft Matter, 20 Aug. 2014, English
[Invited], [International presentation] - 数学の力で読み解く一分子時系列〜F1分子モーターを題材として〜
田宮 裕治; Chun-Biu Li; 渡邉力也; 野地博行; 小松崎民樹
第54回 生物物理若手の会 夏の学校, 09 Aug. 2014, Japanese, Poster presentation
[Domestic Conference] - Reaction Coordinate Switching Mechanism, on the Possibility of Its Experimental Verification and Its Quantum Manifestation
Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki
The 10th AIMS Conference on Dynamical Systems, Differential Equations and Applications, 08 Jul. 2014, English
[Invited], [Domestic Conference] - Chance and Necessity in Reactions Under Chaos and Stochastic Fluctuation
KOMATSUZAKI TAMIKI
The 10th AIMS Conference on Dynamical Systems, Differential Equations and Applications, 07 Jul. 2014, English
[Invited], [Domestic Conference] - Extracting Cooperative modes between a biological molecule and water molecules
Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki
International Workshop "Over the Barriers of Transition Paths: Dynamical Processes in Proteins and Complex Molecular Systems", 28 Jun. 2014, English
[Invited], [International presentation] - Energy Landscapes Constructed From Single-molecule Time Series And Reaction Networks
KOMATSUZAKI TAMIKI
Macromolecular dynamics: structure, function and diseases, 27 Jun. 2014, English
[Invited], [International presentation] - Theories Should Meet Experiments: What Can We Extract From Time Series Data?
KOMATSUZAKI TAMIKI
Beijing Computational Science Research Center (CSRC) Seminar, 23 Jun. 2014, English
[Invited], [International presentation] - 複雑分子系における構造異性化反応ネットワークの理解に向けて
永幡 裕; 前田 理; 寺本 央; Chun-Biu Li; 堀山 貴史; 武次 徹也; 小松崎 民樹
第17回理論化学討論会, 23 May 2014, Japanese, Oral presentation
[Domestic Conference] - 生体分子と水の過渡的な集団運動の抽出
寺本央; 戸田幹人; 小松崎民樹
第17回理論化学討論会, 22 May 2014, Japanese, Oral presentation
[Domestic Conference] - Energy Landscapes Constructed From Single-Molecule Time Series and Reaction Networks
KOMATSUZAKI TAMIKI
The 2014 Les Houches - TSRC Protein Dynamics Workshop, 21 May 2014, English
[Invited], [International presentation] - ノイジーなFRETデータから多重経路を考慮に入れた自由エネルギー地形を抽出する
小松崎 民樹
理研シンポジウム:細胞システムの動態と論理Ⅵ, 04 Apr. 2014, Japanese, Oral presentation
[Domestic Conference] - タンパク質一分子計測から得られたマルコフ連鎖がもつ時間階層構造の理解に向けて
永幡裕; 寺本央; Chun-Biu Li; 小松崎民樹
日本物理学会 第69回年次大会, 30 Mar. 2014, Japanese, Oral presentation
[Domestic Conference] - パターン形成における本質的な高次相関情報量の抽出
宮川尚紀; 寺本央; 河合信之輔; 李振風; 小松崎民樹
日本物理学会 第69回年次大会, 28 Mar. 2014, Japanese, Oral presentation
[Domestic Conference] - Dynamical heterogeneity and cage breaking dynamics in colloidal fluids in terms of Lagrangian Coherent structures (LCSs)
寺本央; Preetom Nag、Chun Biu Li; 小松崎民樹
2013 年度日本生物物理学会北海道支部例会, 11 Mar. 2014, English, Oral presentation
[Domestic Conference] - タンパク質の時系列から得られたMarkov連鎖の解析に向けて:グラフの分割とクラスタリングで定義する複雑な化学反応における状態とその時間階層構造
永幡 裕; 堀山 貴史; 前田 理; 寺本 央; Chun-Biu Li; 小松崎 民樹
2013 年度日本生物物理学会北海道支部例会, 10 Mar. 2014, Japanese, Oral presentation
[Domestic Conference] - Extracting coherent dynamics in colloidal fluids in terms of Lagrangian Coherent structures (LCSs)
Teramoto Hiroshi; Nag Preetom; Li Chun-Biu; Komatsuzaki Tamiki
International Life-Science Symposium, 06 Mar. 2014, English, Oral presentation
[Domestic Conference] - 少数分子反応ネットワーク理論の構築
冨樫 祐一; 小松崎 民樹; 李 振風; 寺本 央; 新海 創也小松崎
新学術領域研究「少数性生物学」第6回領域会議, 21 Feb. 2014, Japanese, Oral presentation
[Domestic Conference] - 生体分子と水の過渡的な協同運動の抽出
寺本 央; 戸田幹人; 小松崎民樹
新学術領域研究「少数性生物学」第6回領域会議, 21 Feb. 2014, Japanese, Poster presentation
[Domestic Conference] - Constructing Kinetic Scheme Objectively from Dwell-Time Time Series with Exact Information Content
Chun-Biu Li; Tamiki Komatsuzaki
新学術領域研究「少数性生物学」第6回領域会議, 21 Feb. 2014, English, Poster presentation
[Domestic Conference] - Extracting the Underlying Free Energy Landscape Buried in Photon-by- Photon based Single-Molecule Measurements
J. Nick Taylor; Chun-Biu Li; Tamiki Komatsuzaki
新学術領域研究「少数性生物学」第6回領域会議, 21 Feb. 2014, English, Poster presentation
[Domestic Conference] - コロイド流体の動的協同運動のLagrangian Coherent Structureによる抽出
寺本央; Preetom Nag、Chun Biu Li; 小松崎民樹
北海道大学電子科学研究所平成25年度研究交流会, 10 Jan. 2014, Japanese, Poster presentation
[Domestic Conference] - Relation between dynamics of individual trajectories and that of their ensemble distributions -Spectral Analysis of Individual Trajectories-
Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki
The 14th RIES-HOKUDAI International Symposium 網[mou], 11 Dec. 2013, English, Poster presentation
[International presentation] - An Information-Theoretical Approach to Local Equilibrium State Analysis for Single-Molecule Time-Series
J. N. Taylor; C.B. Li; S. Kawai; T. Komatsuzaki
The 14th RIES-HOKUDAI International Symposium 網[mou], 11 Dec. 2013, English, Poster presentation
[International presentation] - Scrutiny of Heterogeneity in Memory by Extracting Reaction Network Buried in Single Molecule Time Series of EGFR and Grb2
Tahmina Sultana; Hiroaki Takagi; Miki Morimatsu; Hiroshi Teramoto; Chun-Biu Li; Yasushi Sako; Tamiki Komatsuzaki
The 14th RIES-HOKUDAI International Symposium 網[mou], 11 Dec. 2013, English, Poster presentation
[International presentation] - Toward understanding hierarchical structure of complex reaction networks extracted from single molecule time series
Yutaka Nagahata; Hiroshi Teramoto; Takashi Horiyama; Chun-Biu Li; Tamiki Komatsuzaki
The 14th RIES-HOKUDAI International Symposium 網[mou], 11 Dec. 2013, English, Poster presentation
[International presentation] - Coherent dynamics in colloidal fluids in terms of Lagrangian Coherent Structures (LCSs)
Preetom Nag; Hiroshi Teramoto; Chun Biu Li; Tamiki Komatsuzaki
The 14th RIES-HOKUDAI International Symposium 網[mou], 11 Dec. 2013, English, Poster presentation
[International presentation] - Information of multi-order correlation in pattern formation
Naoki Miyagawa; Hiroshi Teramoto; Chun-Biu Li; Tamiki Komatsuzaki
The 14th RIES-HOKUDAI International Symposium 網[mou], 11 Dec. 2013, English, Poster presentation
[International presentation] - Extracting the Protein-folding Dynamics from Single Molecule Time Series
Kunihiko Ibe; Hiroshi Teramoto; Chun-Biu Li; Tamiki Komatsuzaki
The 14th RIES-HOKUDAI International Symposium 網[mou], 11 Dec. 2013, English, Poster presentation
[International presentation] - Essential Coordinates to Describe the Dynamics of Many-atom Systems
Shinnosuke Kawai; Hiroshi Teramoto; Tamiki Komatsuzaki
5th JCS International Symposium on Theoretical Chemistry, 03 Dec. 2013, English, Poster presentation
[Invited], [International presentation] - タンパク質一分子の計測から得られた定常マルコフ連鎖がもつ時間階層構造の理解に向けて
永幡 裕; 寺本 央; Li Chun-Biu; 小松崎 民樹
ERATO湊離散構造処理系プロジェクト 「2013年度 秋のワークショップ」, 27 Nov. 2013, Japanese, Oral presentation
[Domestic Conference] - スペクトル解析による生体分子の構造転移モードの解析
寺本央; 戸田幹人; 小松崎民樹
第1回アライアンス若手研究交流会~計算・計測・合成の融合~, 26 Nov. 2013, Japanese, Invited oral presentation
[Invited], [Domestic Conference] - タンパク質一分子の計測から得られた定常マルコフ連鎖がもつ時間階層構造の理解に向けて
永幡 裕; 寺本 央; 堀山 貴史; Chun-Biu Li; 小松崎 民樹
ERATO湊離散構造処理系プロジェクト 「2013年度 秋のワークショップ」, 25 Nov. 2013, Japanese, Poster presentation
[Domestic Conference] - 分子個性(Dynamic disorder):一分子生物学から産まれた新しい概念?
小松崎 民樹
第2回バイオ単分子研究会, 10 Nov. 2013, Japanese, Invited oral presentation
[Invited], [Domestic Conference] - 力学系をみる二つの視点:軌道と分布の描像、の関係
寺本央; 戸田幹人; 小松崎民樹
関東力学系セミナー, 05 Nov. 2013, Japanese, Invited oral presentation
[Invited], [Domestic Conference] - An Information-Theoretical approach to Local Equilibrium State Analysis for Single-Molecule Time-Series
J. Nick Taylor; Li Chun-Biu; Kawai Shinnosuke; Komatsuzaki Tamiki
第51回日本生物物理学会年会, 30 Oct. 2013, English, Poster presentation
[Domestic Conference] - Quantifying the absolute ATP concentration inside single bacteria cells
Hideyuki Yaginuma; Shinnosuke Kawai; Keisuke Tomiyama; Kazuhito V. Tabata; Tamiki Komatsuzaki; Hiromi Imamura; Hiroyuki Noji
第51回日本生物物理学会年会, 30 Oct. 2013, English, Poster presentation
[Domestic Conference] - Coherent dynamics in colloidal fluids in terms of Lagrangian coherent structures (LCS)
Nag Preetom; Teramoto Hiroshi; Li Chun-Biu; Komatsuzaki Tamiki
第51回日本生物物理学会年会, 30 Oct. 2013, English, Poster presentation
[Domestic Conference] - 分子イメージングから要素間の高次相互作用の定量化に向けて
小松崎 民樹
第51回日本生物物理学会年会, 29 Oct. 2013, Japanese, Invited oral presentation
[Invited], [Domestic Conference] - 一分子時系列から抽出されたマルコフ連鎖 定常ネットワーク における遷移確率が“最小”となる分子の“状態”の同定
永幡 裕; 寺本 央; Li Chun-Biu; 小松崎 民樹
第51回日本生物物理学会年会, 29 Oct. 2013, Japanese, Poster presentation
[Domestic Conference] - A Multiscale Kinetic Scheme Extracted from EGFR-Grb2 Single Molecule Reaction
Sultana Tahmina; Takagi Hiroaki; Morimatsu Miki; Teramoto Hiroshi; Li Chun-Biu; Sako Yasushi; Komatsuzaki Tamiki
第51回日本生物物理学会年会, 29 Oct. 2013, English, Poster presentation
[Domestic Conference] - Toward the Decoding of Single Nucleotides Tunneling Current by Change Point Analysis
Chun-Biu Li; Tamiki Komatsuzaki
Technologies for Medical Diagnosis and Therapy Symposium, 21 Oct. 2013, English, Poster presentation
[International presentation] - Let Systems Tell for themselves: Energy Landscape and Complex Network
James N. Taylor; Shinnosuke Kawai; Chun Biu Li; Tamiki
Technologies for Medical Diagnosis and Therapy Symposium, 21 Oct. 2013, English, Poster presentation
[International presentation] - Dynamic Disorder 再考:解析の虚実
小松崎 民樹
研究会「理論と実験」2013, 11 Oct. 2013, Japanese, Invited oral presentation
[Invited], [Domestic Conference] - 天文学から生まれたカオスと化学動力学の出会い
小松崎 民樹
Symposium on Cross-Talk between Chemistry and Planetary Sciences, 09 Oct. 2013, Japanese, Oral presentation
[Domestic Conference] - 個々の軌道の振舞いとその集団分布の振舞いの関係~一軌道レベルでのスペクトル解析法とそれによる溶質分子と水の協同運動の抽出~
寺本央; 戸田幹人; 小松崎民樹
第36回溶液化学シンポジウム プレシンポジウム, 08 Oct. 2013, Japanese, Invited oral presentation
[Domestic Conference] - 定常マルコフ連鎖から階層構造を抽出する際に生じる組み合わせ爆発
永幡 裕; 寺本 央; 堀山 貴史; Chun-Biu Li; 小松崎 民樹
湊離散構造処理系プロジェクト ERATO セミナー, 01 Oct. 2013, Japanese, Public discourse
[Domestic Conference] - 反応座標切替機構の量子的兆候
寺本央; 戸田幹人; 小松崎民樹
第7回分子科学討論会2013京都, 25 Sep. 2013, Japanese, Oral presentation
[Domestic Conference] - 時間スケールに依存して変化する実効自由度とエネルギー地形
河合 信之輔; 寺本 央; 小松崎 民樹
第7回分子科学討論会2013京都, 25 Sep. 2013, Japanese, Oral presentation
[Domestic Conference] - 反応の運命を分ける反応性境界: 定義の一般化とH5+プロトン移動反応における反応性境界の抽出
永幡 裕; 寺本 央; Chun-Biu Li; 河合 信之輔; 小松崎 民樹
第7回分子科学討論会2013京都, 25 Sep. 2013, Japanese, Oral presentation
[Domestic Conference] - Identifying the most distinct disjoint sets to extract hierarchical structure in Markov chain steady state network extracted from time series by finding “minimum” transition probability
Yutaka Nagahata; Hiroshi Teramoto; Takashi Horiyama; Chun-Biu Li; Tamiki Komatsuzaki
A Symposium on Single Molecule Biophysics and Cyt c Biochemistry, 25 Aug. 2013, English, Oral presentation
[Domestic Conference] - Information of multi-order correlation in pattern formation
Naoki Miyagawa; Hiroshi Teramoto; Chun-Biu Li; Tamiki Komatsuzaki
A Symposium on Single Molecule Biophysics and Cyt c Biochemistry, 25 Aug. 2013, English, Oral presentation
[Domestic Conference] - Co-operative motion in colloidal fluids in terms of Lagrangian Coherent Structures(LCS)
Nag Preetom; Hiroshi Teramoto; Chun-Biu Li; Tamiki Komatsuzaki
A Symposium on Single Molecule Biophysics and Cyt c Biochemistry, 25 Aug. 2013, English, Oral presentation
[Domestic Conference] - Toward System Molecular Biology & Data Science
KOMATSUZAKI TAMIKI
A Symposium on Single Molecule Biophysics and Cyt c Biochemistry, 23 Aug. 2013, English, Oral presentation
[Domestic Conference] - 確率の起源:偶然と必然の原理
小松崎 民樹
第1回少数性生物学トレーニングコース, 06 Aug. 2013, Japanese, Public discourse
[Invited], [Domestic Conference] - 実験データからノイズを取り除き背後の物理量を評価する方法
河合信之輔; David Cooper; Christy Landes・Henning; D. Mootz; Haw Yang; 小松崎民
日本化学会北海道支部2013年夏季研究発表会, 20 Jul. 2013, Japanese, Oral presentation
[Domestic Conference] - 2つの反応方向を持つサドルにおける化学反応:行先・起源を分ける反応性境界の抽出
永幡 裕; 寺本 央; Chun-Biu Li; 河合 信之輔; 小松崎 民樹
日本化学会北海道支部2013年夏季研究発表会, 20 Jul. 2013, Japanese, Oral presentation
[Domestic Conference] - Dynamical Conformation Coordinations in Non-Ribosomal Peptide Synthetases
Mootz, H.D; Komatsuzaki, T; Yang, H; Sun, X; Morrell, T.E; Rafalska-Metcalf, I.U; Alfermann, J; Volkmann, G; Dehling, E; Li, C.-B; Kawai, S; Taylor, N. J
HFSP 2013 Awardees Meeting, 09 Jul. 2013, English, Poster presentation
[International presentation] - Revisiting Energy Landscape, Timescale, Coarse-Graining
KOMATSUZAKI TAMIKI
Chemistry and Dynamics in Complex Environments, 27 Jun. 2013, English, Invited oral presentation
[Invited], [International presentation] - Identifying states in Markov chain steady state network extracted from time series by finding minimum transition probability
Yutaka Nagahata; Hiroshi Teramoto; Chun-Biu Li; Tamiki Komatsuzaki
The Complexity of Dynamics and Kinetics in Many Dimensions, 18 Jun. 2013, English, Oral presentation
[International presentation] - Revisiting Energy Landscape & Extracting it from FRET measurement
KOMATSUZAKI TAMIKI
The Complexity of Dynamics and Kinetics in Many Dimensions, 16 Jun. 2013, English, Invited oral presentation
[International presentation] - Phase Space Geometrical Aspects in Condensed Phase Reactions
KOMATSUZAKI TAMIKI
Geometry of Chemical Reaction Dynamics in Gas and Condensed Phases, 13 Jun. 2013, English, Invited oral presentation
[International presentation] - Reactivity Boundaries to Separate the Fate of a Chemical Reaction Associated with Multiple Saddles
Yutaka Nagahata; Hiroshi Teramoto; Chun-Biu Li; Shinnosuke Kawai; Tamiki Komatsuzaki
Geometry of Chemical Reaction Dynamics in Gas and Condensed Phases, 13 Jun. 2013, English, Oral presentation
[International presentation] - Unbiased estimation of physical properties in noisy experimental data
Shinnosuke Kawai; David Cooper; Christy Landes; Henning D. Mootz; Haw Yang; Tamiki Komatsuzaki
IMS Workshop on "Hierarchical Molecular Dynamics: From Ultrafast Spectroscopy to Single Molecule Measurements", 25 May 2013, English, Poster presentation
[International presentation] - データ駆動型モデリングと一分子動態解析における虚実
小松崎 民樹
日本顕微鏡学会第69回学術講演会, 22 May 2013, Japanese, Invited oral presentation
[Invited], [Domestic Conference] - Energy Landscapes Constructed From Single-Molecule Time Series and Reaction Networks
KOMATSUZAKI TAMIKI
The 2014 Les Houches - TSRC Protein Dynamics Workshop, 21 May 2013, English, Invited oral presentation
[Invited], [International presentation] - A microscopic ruler tells us the underlying networks in single molecule measurements
KOMATSUZAKI TAMIKI
Nanoscale Science Seminars 2013:A Microscopic ruler tells us the underlying networks in single molecule measurements, 13 May 2013, English, Invited oral presentation
[Invited], [International presentation] - 階層性と多様性を内包する生命動態システムの解析基盤創成
小松崎 民樹; Chun Biu Li; 寺本央; 河合信之輔; James N. Taylor
平成24年度アライアンス成果報告会, 23 Apr. 2013, Japanese, Poster presentation
[Domestic Conference] - 生体分子と水の過渡的な協同運動の抽出
寺本央; 戸田幹人; 小松崎民樹
日本物理学会 第69回年次大会, 30 Mar. 2013, Japanese, Oral presentation
[Domestic Conference] - Capturing Full Information Contents from Single Molecule Dwell-time Time Series with Minimum Excessive Information
Chun Biu Li; Tamiki Komatsuzaki
The Physical Society of Japan (JPS) 2013 (68th) Annual Meeting, 29 Mar. 2013, English, Oral presentation
[Domestic Conference] - 任意の確率分布に対する推定量の数値的構成
河合 信之輔; David Cooper; Christy landes、Henning; D. Mootz; Haw Yang; 小松崎 民樹
日本物理学会第68回年次大会, 29 Mar. 2013, Japanese, Oral presentation
[Domestic Conference] - 法双曲的不変多様体崩壊の量子的兆候
寺本 央; 戸田 幹人; 小松崎 民樹
日本物理学会第68回年次大会, 26 Mar. 2013, Japanese, Oral presentation
[Domestic Conference] - Stationary Lagrangian Coherent Structureによる化学反応動力学の理解
寺本 央; 戸田 幹人; 小松崎 民樹
日本化学会第93春季年会(2013), 23 Mar. 2013, Japanese, Oral presentation
[Domestic Conference] - Multiscale Hidden Markovian Network Buried in Recognition Reaction of EGFR and Grb2.
Tahmina Sultana; Hiroaki Takagi; Miki Morimatsu; Hiroshi Teramoto; Chun-Biu Li; Yasushi Sako; Tamiki Komatsuzaki
2012年度 日本生物物理学会北海道支部例会, 05 Mar. 2013, English, Public discourse
[Domestic Conference] - 1分子データをどれだけ正しく読み取れるか?
小松崎 民樹
「物質・デバイス領域共同研究拠点」[B-1]公開シンポジウム, 25 Feb. 2013, Japanese, Oral presentation
[Domestic Conference] - Toward Deciphering Molecular Individuality in sSystems Biology
KOMATSUZAKI TAMIKI
French-Japanese Seminar on "Bioinspired Methods and Applications", 04 Feb. 2013, English, Invited oral presentation
[Invited], [International presentation] - 多自由度化学反応系の本質部分を記述する少数自由度の抽出
河合信之輔; 寺本央; 小松崎民樹
化学系学協会北海道支部2013年冬季研究発表会, 30 Jan. 2013, Japanese, Oral presentation
[Domestic Conference] - 2つの反応方向をもつサドルにおける化学反応:反応の運命を分ける反応性境界の抽出
永幡裕; 寺本央; 李振風; 河合信之輔; 小松崎民樹
化学系学協会北海道支部2013年冬季研究発表会, 30 Jan. 2013, Japanese, Oral presentation
[Domestic Conference] - 一分子時系列から掘り起こす多次元自由エネルギー地形の情報理論的構成法の開発
千葉勇太; 河合信之輔; 馬場昭典; 寺本央; 李振風; 小松崎民樹
化学系学協会北海道支部2013年冬季研究発表会, 30 Jan. 2013, Japanese, Oral presentation
[Domestic Conference] - 蛋白質機能に対するデータ駆動的モデリング
小松崎 民樹
東北大学 原子分子材料科学高等研究機構 Half-day workshop, 22 Jan. 2013, Japanese, Public discourse
[Invited], [Domestic Conference] - Toward deciphering molecular individuality in systems biology
Chun Biu Li; Tamiki Komatsuzaki
Gordon Research Conferences, Stochastic Physics in Biology, 14 Jan. 2013, English, Poster presentation
[International presentation] - Let Single Molecule Time Series Tell for Itself: Energy Landscape and Complex Network
KOMATSUZAKI TAMIKI
4th France-Japan Joint Seminar "Imaging of spatiotemporal hierarchies in living cells – an overview of dynamics from molecules to cells -", 09 Jan. 2013, English, Invited oral presentation
[Invited], [International presentation] - 一分子酵素反応実験におけるDynamic disorderの起源
小松崎 民樹
第85回日本生化学会大会, 16 Dec. 2012, Japanese, Oral presentation
[Domestic Conference] - Extracting Quasi Normally Repelling Material Surface by Re-formulating Variational Lagrangian Coherent Structure (LCS) Theory
Preetom Nag; Hiroshi Teramoto; Chun Biu Li; Tamiki Komatsuzak
The 13th RIES-Hokudai International Symposium, 13 Dec. 2012, English, Poster presentation
[International presentation] - Effect of Time Scales on the Essential Dimensionality of a Dynamical System
Shinnosuke Kawai; Hiroshi Teramoto; Tamiki Komatsuzaki
The 13th RIES-Hokudai International Symposium, 13 Dec. 2012, English, Poster presentation
[International presentation] - .Extracting cooperative mode of water and peptide in terms of a local Green function
Hiroshi Teramoto; Mikito Toda; Tamiki Komatsuzaki
The 13th RIES-Hokudai International Symposium, 13 Dec. 2012, English, Poster presentation
[International presentation] - Deciphering complex hierarchical living systems in single molecule biology
KOMATSUZAKI TAMIKI
2nd Discussion Symposium on Artificial Life and Biomimetic Functional Materials, 11 Dec. 2012, English, Invited oral presentation
[Invited], [International presentation] - Modeling Single Molecule Kinetics Objectively from Dwell-time time series
Chun-Biu Li; Tamiki Komatsuzaki
International Workshop on Quantitative Biology 2012, 22 Nov. 2012, English, Invited oral presentation
[Invited], [International presentation] - 1分子時系列情報から読み解く反応ネットワーク:分子動態を多階層な複雑ネット ワークのなかでどう議論できるか?
小松崎 民樹
文部科学省「物質・デバイス領域共同研究拠点」第2回複雑系数理とその応用に関するシンポジウム, 13 Nov. 2012, Japanese, Invited oral presentation
[Invited], [Domestic Conference] - Toward deciphering reality of molecular dynamics in systems biology
KOMATSUZAKI TAMIKI
RIES - CIS Joint Symposium, 25 Oct. 2012, English, Invited oral presentation
[International presentation] - Exploring the Operating Principles and Cooperative Motions from Single F1-ATPase Time Series
Chun Biu LI; Tamiki Komatsuzaki
Paradigm Innovation in Biology: novel strategy and thinking, 17 Oct. 2012, English, Poster presentation
[International presentation] - Construction of "Optimal" Estimators for Arbitrary Probability Distributions
Shinnosuke Kawai; Tamiki Komatsuzaki
Paradigm Innovation in Biology: novel strategy and thinking, 17 Oct. 2012, English, Poster presentation
[International presentation] - Theories should meet measurements: What Can We Extract from Time Data?
KOMATSUZAKI TAMIKI
Paradigm Innovation in Biology: novel strategy and thinking, 17 Oct. 2012, English, Invited oral presentation
[Invited], [International presentation] - 過剰情報量を最小にする反応スキーム
小松崎 民樹
研究会「理論と実験」2012, 05 Oct. 2012, Japanese, Public discourse
[Domestic Conference] - 一分子酵素反応実験におけるDynamic disorder解釈の虚実:我々は何を観ているのか?
小松崎 民樹
生理学研究所研究会「超階層シグナル伝達研究の新展開」, 01 Oct. 2012, Japanese, Public discourse
[Domestic Conference] - 遷移状態とは何か-鞍点の周辺で起こる運動とその制御
河合 信之輔; 小松崎 民樹
シンポジウム「化学反応経路探索のニューフロンティア2012」, 22 Sep. 2012, Japanese, Oral presentation
[Domestic Conference] - 複雑分子系を読み解くための新しい1分子理論
Chun Biu Li; 小松崎 民樹
第6回分子科学討論会, 21 Sep. 2012, Japanese, Oral presentation
[International presentation] - 高次ランクサドルを含めた化学反応ダイナミクスにおける反応の境界
永幡 裕; 河合 信之輔; 寺本 央; Chun-Biu Li; 小松崎 民樹
第6回分子科学討論会, 19 Sep. 2012, Japanese, Poster presentation
[International presentation] - A novel computational procedure for locating Lagrangian coherent structure(LCS) from Variational LCS theory.
Preetom Nag; Hiroshi Teramoto,Chun Biu Li; Tamiki Komatsuzaki
The Physical Society of Japan (JPS) 2012 Fall Meeting, 18 Sep. 2012, English, Poster presentation
[International presentation] - 反変Lyapunovベクトルを用いた法反発的不変面の構成法
寺本央; George Haller; 小松崎民樹
日本物理学会 2012年秋季大会, 18 Sep. 2012, Japanese, Poster presentation
[International presentation] - 凝縮相ダイナミクスにおける時間スケールのエネルギー地形への影響
河合 信之輔; 小松崎 民樹
第6回分子科学討論会, 18 Sep. 2012, Japanese, Oral presentation
[International presentation] - Constructing unbiased estimators for arbitrary probability distribution
Kawai, S; Mootz, H.D; Yang, H; Komatsuzaki, T
HFSP 12th Annual Awardees Meeting, 02 Jul. 2012, English, Poster presentation
[Invited], [International presentation] - Transition States and Reaction Coordinates in Complex Systems
KOMATSUZAKI TAMIKI
Searching for Reaction Coordinates and Order Parameters, 18 Jun. 2012, English, Invited oral presentation
[Invited], [International presentation] - Theories Should Meet Experiments: What Can We Extract from Time Series Data?
KOMATSUZAKI TAMIKI
Characterizing Landscapes: From Biomolecules to Cellukar Networks, 11 Jun. 2012, English, Invited oral presentation
[Invited], [International presentation] - Extracting Boundary of Reaction Associated with an Index-two-saddle from a Two Degree-of-Freedom System
NAGAHATA Yutaka; TERAMOTO Hiroshi; LI, Chun-Biu; KAWAI Shinnosuke; KOMATSUZAKI Tamiki
28th Symposium on Chemical Kinetics and Dynamics, 06 Jun. 2012, English, Oral presentation
[International presentation] - 一分子酵素反応の動態解析における虚実:我々は何を観ているのか?
小松崎 民樹
細胞システムの動態と論理IV, 12 Apr. 2012, Japanese, Public discourse
[Domestic Conference] - 一分子反応の動態解析における虚実:我々は何を観ているのか?
小松崎 民樹
最先端研究開発支援プログラム「1分子解析技術を基盤とした革新ナノバイオデバイスの開発研究-超高速単分子DNAシークエンシング、超低濃度ウイルス検知、極限生体分子モニタリングの実現-」講演会, 02 Apr. 2012, Japanese, Public discourse
[Invited], [Domestic Conference]
■ Affiliated academic society
- American Association for the Advancement of Science
- SAIM(Society for Industrial and Applied Mathematics)
- JAPAN SOCIETY FOR MOLECULAR SCIENCE
- WATOC(World Association of Theoretically Oriented Chemists)
- アメリカ化学会
- 日本物理学会
- 日本生物物理学会
- 日本化学会
- 個体差を活かした計測介入型の迅速スクリーニング計測基盤
CREST 革新的計測解析
Oct. 2023 - Mar. 2029
科学技術振興機構, Principal investigator, 23826601 - Development of Data-driven Mathematical Analysis for Single Cells and Singularity Cells
Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
Jun. 2018 - Mar. 2023
小松崎 民樹; 中村 篤祥; 小野 峻佑
ある細胞と別の細胞の主従関係を推定する場合,それら2つの細胞の軌跡データなどを用いて評価されているが,2つの細胞の振る舞いを決める因子が,その2つの細胞以外にも,第3の細胞が介在する状況なども考えられる。主従関係や因果関係における“原因”と“結果”を解析するためには,単純な対の組み合わせで表現できない多体の相互作用から成り立っている。そのため,多体のあいだの因果関係を推定することは要素間の組み合わせの数が膨大になる。2対の軌跡データを変数とする移動エントロピーを細分化した新しい相乗情報量に着眼し,改良Vicsekモデルに基づいてこの問題を考察し、移動エントロピーに含まれる相乗情報量の振る舞いを解析することで,要素間の多体の相互作用が推定できることを見いだした(Sci Adv 2022)。
昨年度開発した、細胞毎の発火状態時系列からの伝搬時差推定をギャップを挿入する文字列のアライメントで行い伝搬グラフを構築する手法を発展させ、DTW(Dynamic Time Warping)ベースの実数値列アライメントを用いて伝搬グラフを構築する方法を開発した。位置情報を用いないで伝搬関係を推定できるため、細胞間の信号の伝搬のみでなく、株価の他の株価への影響の伝搬関係など曖昧な伝搬関係の抽出にも使えることを株価データを用いて確認した。
シンギュラリティ成分検出の前処理としてイメージングデータからノイズや外乱を取り除くための正則化手法について研究を進めた。具体的には、イメージングデータに内在するスパース性を引き出す変換を構成し、スパース性を評価するノルムと組み合わせて正則化関数を設計した。加えて、この正則化を含む最適化問題としてノイズ・外乱除去問題を定式化し、これを解くアルゴリズムを開発した。最後に、実際のハイパースペクトルイメージングデータを用いた大規模な比較実験によって有効性を実証した。
Japan Society for the Promotion of Science, Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area), Hokkaido University, 18H05413 - 一細胞ラマン計測と情報科学の融合による細胞診断の迅速解析技術の開発
CREST
Oct. 2016 - Mar. 2022
KOMATSUZAKI TAMIKI
JST, Principal investigator, Competitive research funding - Cell diagnosis by bridging Raman Spectral Imaging and Information Science
Grants-in-Aid for Scientific Research
09 Nov. 2018 - 31 Mar. 2021
小松崎 民樹; CLEMENT JEAN-EMMANUEL
圧縮センシング手法の発展により、より少ないデータ数で「数理的に」超解像イメージングを実現する方法が蓄積されてきた。生きた細胞や生体組織のラマン散乱スペクトルがつくる高次元空間のうち、少ない次元で細胞状態(癌/正常細胞)を分類できることが明らかとなってきた。このことは、細胞状態を同定する少数次元から成る特徴量が存在し、効率的なスパースモデリングが可能であることを示唆している。Clement博士の研究は、1.細胞および生体組織のラマン分光イメージングデータに対し、圧縮センシングの手法を取り入れてラマン分光画像をできるだけ少ない回数の照射パターンで復元するアルゴリズムを導入したラマン顕微鏡のための情報計測手法を構築すること、2.画像処理技術を駆使してS/N比が低いラマン画像からスパースな構造をもつミトコンドリアなどを自動抽出するアルゴリズムを開発し、細胞状態との関係性を明らかにすること、3.宇宙線除去などラマンスペクトル解析は複数の前処理を必要とする。前処理のうち、宇宙線除去の自動化、背景光を効率的に取り除くアルゴリズムを開発すること、の3点を展開してきた。1.に関しては、アルゴリズム開発はほぼ終えて数値的には少ない回数の照射パターンでラマン分光画像が復元できることを示すことに成功し、ラマン顕微鏡にアルゴリズムを導入した共同研究者の装置開発が進んでいる。2.は次元縮約、スパース主成分分析、テクスチャ分解、数学的形態変換等を組み合わせた手法を開発し、甲状腺濾胞癌、その非癌細胞株に対してミトコンドリアと脂肪滴を抽出し、細胞状態の違いとそれらオルガネラとの依存性を明らかにした。3.は、従来、アドホックに画像毎に除去していた宇宙線を自動的に抽出、除去するアルゴリズムならびに照射光ムラなどを抑える背景ラマン除去法を開発することに成功した。2,3に関してアルゴリズム部分の論文化を進めている。
Japan Society for the Promotion of Science, Grant-in-Aid for JSPS Fellows, Hokkaido University, 18F18719 - データサイエンスと非線形科学の融合による新たな非平衡現象の探求
二国間交流事業共同研究・セミナー
Apr. 2018 - Mar. 2020
小松崎 民樹
Principal investigator, Competitive research funding - Development on molecular data science for biomolecule dynamical systems
Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (B)
Apr. 2017 - Mar. 2020
Komatsuzaki Tamiki
With the progress of single-molecule measurement and single-cell spectroscopic imaging, a huge amount of data in complex environments such as cells has been accumulated. "How can we correctly extract the underlying molecular mechanism of action from those data?" was an urgent unsolved issue. From the observed single molecule measurement data and imaging data, by taking into account bleaching effect of dye molecules and low signal to noise ratio, we have developed a series of data scientific framework that extracts the underlying energy landscape, classifies the cell states, and accelerate Raman diagnosis with guaranteeing the accuracy of the diagnosis. In addition, we have newly developed an information science analysis method to identify the interaction region and the aspect of many-body interaction from cell tracking data.
Japan Society for the Promotion of Science, Grant-in-Aid for Scientific Research (B), Hokkaido University, 17H02940 - 1細胞ラマン分光イメージングに基づく細胞場の分子データ科学
Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
Apr. 2018 - Mar. 2019
小松崎 民樹
1細胞ラマン分光イメージングは、非破壊かつ非侵襲に、小分子からタンパク質の分子情報を網羅的に評価し、細胞場の環境変動を反映するビックデータを提供する。しかしながら、「膨大なスペクトルデータから、如何にして細胞場の環境の化学的多様性、変動度を定量できるか」は未開拓状態である。本研究課題では、1細胞ラマン分光イメージングに基づいて、膨大なスペクトルデータから背後の細胞場の化学多様性および環境変動を定量する分子データ解析技術を開発し、細胞場の物理化学的理解を目指し、細胞場の環境変動が細胞の状態や機能に及ぼす影響を体系的に明らかにすることを目的として研究を遂行した。
我々はC型、B型肝炎とともに三大肝疾患のひとつである非アルコール性脂肪性肝疾患(NAFLD)の線維症を予測するラットモデルを対象に、ラマンスペクトル画像が張る高次元空間を次元削減することでデータ構造を可視化するアルゴリズムならびにアンサンブル機械学習のひとつであるランダムフォレストに基づく病理診断に重要なラマンシフト群の同定を行う方法論を各々開発し、まだ組織学的な病理が観察されていない初期段階でも組織状態を見分ける情報解析技術を考案した。この方法は、細胞や組織のミクロ場の差異をラマン分光イメージングで定量することで、まだ組織学的な変化がみられない初期段階においても、細胞診断が可能であることを示すものであり、今後、その動態の定量などを可能とする方法論の開拓が望まれる。
Japan Society for the Promotion of Science, Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area), Hokkaido University, 18H04530 - Systems Biology of Minority and Majority of Cells
Grants-in-Aid for Scientific Research Grant-in-Aid for Challenging Exploratory Research
Apr. 2016 - Mar. 2019
Komatsuzaki Tamiki; Fujita Katsumasa; Li Chun Biu; Taylor James Nicholas; Teramoto Hiroshi
We developed an information theoretic analysis method to enable us to predict the cell states from a high dimensional feature space spanned by single cell Raman imaging in terms of rate-distortion theory in information theory taking into account noises from number fluctuation of finite measurements and ensemble machine learning. We showed its versatility by applying the methods to follicular thyroid carcinoma whose morphological features of cells and nucleus are almost identical to those of non-carcinoma, and non-alcoholic fatty liver disease, in which the transitions in disease states require morphological changes like fibrosis. We constructed a mathematical modelling to mimic leader-follower relationship, and we scrutinized the identifiability of leader and followers from their movements by using causal inference in information theory. Furthermore, we studied how organs, a set of huge number of cells, have rather uniform structures irrespective of randomness at cell level.
Japan Society for the Promotion of Science, Grant-in-Aid for Challenging Exploratory Research, Hokkaido University, 16K14703 - 多階層システム生物学におけるデータ駆動科学の展開
新学術領域研究
Apr. 2017 - Mar. 2018
小松崎 民樹
Principal investigator, Competitive research funding - Deepening transition state concept and control of reaction kinetics from a few body systems to complex reaction networks
Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (B)
Jul. 2015 - Mar. 2018
Komatsuzaki Tamiki
We uncovered a novel phenomenon which switches a path of reactions from a coordinate that used to describe the progress of reactions to another one that used not to do along with the total energy of the system increases by using the concept of Chaos theory called breakdown of normally hyperbolic invariant manifold. Due to this progress, we also successfully proposed how to verify this new phenomenon experimentally by taking dissociation reaction of an electron from a hydrogen-atom as an example which was under crossed homogeneous electric and magnetic fields. In addition, we newly proposed a global transition state over many underlying basins/states that governs the complex kinetics over reaction networks. This is defined as the slowest dividing surface over the network among all possible dividing surfaces and can extract complex hierarchical structure of reaction timescales.
We proposed a new guideline for reaction controls applicable for both theoretically and experimentally.
Japan Society for the Promotion of Science, Grant-in-Aid for Scientific Research (B), Hokkaido University, 15KT0055 - 多階層システム生物学におけるデータ駆動科学の展開
新学術領域研究
Apr. 2016 - Mar. 2017
小松崎 民樹
Principal investigator, Competitive research funding - Spying minority in biological phenomena -Toward bridging dynamics between individual and ensemble processes-
Grants-in-Aid for Scientific Research
01 Apr. 2011 - 31 Mar. 2016
Nagai Takeharu; UEDA HIROK; ISHIJIMA AKIHIKO; IMADA KATSUMI; MAESHIMA KAZUHIRO; NOJI HIROYUKI; TOGASHI YUICHI; ARAI YOSHIYUKI; MATSUDA TOMOKI; YOSHIMURA SHIGEHIRO; HORIKAWA KAZUKI; WATANABE TOMONOBU; FUJITA KATSUMASA; KINBARA KAZUSHI; SANDO SHINSUKE; TAKEUCHI SHOJI; KOMATSUZAKI TAMIKI; OKADA YASUSHI; HARADA YOSHIE
This organizing group was engaged in providing opportunities to facilitate exchange and cooperation for the researchers of this project. For this purpose, we held the formal meeting twice a year in summer and winter season. Alternately, we supported the meetings by members with free will. In order to spread our achievements and promote the research cooperation outward, we also held many symposiums in conferences including international meetings held in Taipei and Hawaii. In addition, we held retreat style meetings with supporting companies (20 manufacturers) to discuss future industry-academia collaboration, and also established the Bionanophotonics Consortium as a venue for promotion of researches and industry-academia collaboration. Furthermore, we held a training course for young researchers over 2 weeks in every summer.
Japan Society for the Promotion of Science, Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area), Osaka University, 23115001 - Exploration of Systems Biology of Molecular Individuality
Grants-in-Aid for Scientific Research Grant-in-Aid for Challenging Exploratory Research
Apr. 2013 - Mar. 2016
Komatsuzaki Tamiki; LI Chun-Biu; KAWAI Shinnosuke
From single molecule finite time series that changes discretely such as opened or closed, (substrate) bound or unbound, we developed a novel analysis method that objectively elucidates the state of molecules in terms of network representation and enables us to predict the future output of the molecular data in time. In addition, by developing a novel data analysis method that does not assume a form of function of likelihood, we revealed the molecular mechanism of efficient energy conversion in F1-ATPase that synthesizes “energy money”inside cell, ATP, and ATP hydrolysis designs the order of reactions.
Japan Society for the Promotion of Science, Grant-in-Aid for Challenging Exploratory Research, Hokkaido University, 25650044 - Development of analysis theories on life dynamical systems with hierarchy and robustness
Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (B)
Apr. 2013 - Mar. 2016
Komatsuzaki Tamiki; LI Chun-Biu; TERAMOTO Hiroshi
By applying chaos theory developed in the field of celestial mechanics into microscopic chemical reactions, we predicted theoretically that a discrete switching between the reaction/non-reaction coordinate emerges as the total energy increases, and provided an experimental means to prove this unknown phenomenon. From experimentally observed, single molecule time series whose signal-to-noise ratio is low, we developed data-driven mathematical science to reconstruct the underlying information such as network structures and energy landscapes with properly elucidating the measurement errors and errors arising from finiteness of the data, and confirmed their versatility experimentally.
Japan Society for the Promotion of Science, Grant-in-Aid for Scientific Research (B), Hokkaido University, 25287105 - Constructing a theoretical framework to study reaction networks involving a small number of molecules: modeling with consideration of minority and hierarchy
Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
Apr. 2011 - Mar. 2016
TOGASHI Yuichi; KOMATSUZAKI Tamiki; LI Chun-Biu; TERAMOTO Hiroshi; SHINKAI Soya; FLECHSIG Holger; TAYLOR James N.; TSUGAWA Satoru; NAKAGAWA Masaki
We developed multiple theories to explain chemo-mechanical complex networks involving a small number of elements, such as a general theory to predict small-number effects in catalytic reaction networks and a dynamic simulation approach to evaluate mechanical communication pathways between molecules or subunits. We also devised methods to analyze noisy data, including model-free change point analysis, error-based extraction of free-energy landscapes, and modeling with minimum excessive information that is not warranted by the data, to provide a basis to explain the individuality of molecules and cells using data science. We demonstrated the validity and applicability of these theoretical results for actual experiments in the field of “minority biology”.
Japan Society for the Promotion of Science, Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area), 23115007 - Exploration of Fundamental Principle of Robustness and Adaptability of Biological Functional Systems
Grants-in-Aid for Scientific Research
2011 - 2011
KOMATSUZAKI Tamiki
To unveil the question of "how can complex systems adapt to the environmental changes and provide functions robustly in a thermal fluctuating world" on the basis of novel data-driven approach, two novel methods are developed : The one can extract the underlying physical quantity from a noisy single molecule time series whose noise is represented in terms of any probability distribution function, and the other can quantify higher order correlation among multivariate variables and identify irreducible information theoretic modular structure. We showed that the most conventionally used data analysis for single molecule biophysics(enzymatic reactions) led us to a physically incorrect interpretation.
Japan Society for the Promotion of Science, Grant-in-Aid for Challenging Exploratory Research, Hokkaido University, 23650115 - Construction of New Theoretical Modeling to Understand and Control Single Quantum Dot Intermittent Blinking
Grants-in-Aid for Scientific Research
2009 - 2011
LI Chun-biu; KOMATSUZAKI Tamiki
To elucidate the mechanisms of intermittent blinking kinetics, we developed a series of novel data-driven time series analysis and modeling techniques to extract the underlying kinetic scheme directly from single molecule (SM) quantum dot (QD) fluorescence experiments. These include the development and application of the change-point analysis that allows us to correctly extract the on and off intensity dwell-time statistics, and the development of a novel kinetic scheme (KS) construction methodology which unveils the most unbiased KS capturing the full statistical information from time series. The developed methods have demonstrated their high reliability and applicability not only in SM QD experiments, but also in a wide range of other SM measurements, such as in the SM enzymatic turnover experiments and the SM F1_ATPase rotation assessments.
Japan Society for the Promotion of Science, Grant-in-Aid for Scientific Research (C), Hokkaido University, 21510123 - Creations of Dynamical Guiding Principle of Selectivity and Stochasticity across Spatiotemporal Hierarchy in Biological Functions
Grants-in-Aid for Scientific Research
2009 - 2011
KOMATSUZAKI Tamiki; LI Chun-biu; TERAMOTO Hiroshi
To the fundamental question of how molecular functions persist its selectivity under influence of thermal fluctuation, we revealed that one can predict analytically the reaction fate or structural change by a nonlinear coordinate transformation involving the velocities of the system and the friction and random force exerted by thermal degrees of freedom, transition state can change dynamically at high energy/temperature regimes, and developed a new theory that enables us to derive an effective energy landscape from hierarchical state space transition network derived from single molecule time series.
Japan Society for the Promotion of Science, Grant-in-Aid for Scientific Research (B), Hokkaido University, 21340117 - 1分子時系列情報に基づく革新的マルチスケールモデリング
科学研究費助成事業
2009 - 2010
李 振風; 小松崎 民樹
我々の目的は、新規な非線形時系列解析に基づくモデル化手法の開発を通して、F1回転子の多様な時空間スケールで繰り広げられる化学・力学カップリングの動力学を抽出し、その化学エネルギーを力学エネルギーに変換する機構を明らかにすることである。当該年度は、μ秒の時間解像度をもつF1回転子の階段状になっている回転角度の時系列データからF1回転子が止まっている「停止」状態、回転している「回転」状態、それぞれの滞留時間をトレンド/変化点検出法を用いて同定した。この研究により、F1の回転している状態の統計的性質および相関が初めて明らかにされた。また、「停止」状態、「回転」状態のそれぞれの滞留時間の時系列データが得られたことで、我々が開発した速度論的スキームを構築する手法をF1回転子の時系列データに対しても適用することができるようになった。
よく知られているように、一つの与えられた滞留時間の時系列に対し、その時系列がもつすべての統計的相関を正しく与える速度論的スキームは一通りとは限らず、複数存在する可能性がある。当然ながら複数存在する場合には、速度論的スキームは滞留時間の時系列が持つ相関だけからは一義的に定めることができない。我々は「与えられた滞留時間の時系列が持つすべての統計的相関を保持する速度論的スキーム全体の集合の中で、もっとも単純で偏りのない速度論的スキームはどれか?」という問いを立てることで、速度論的スキームを一義的に定める方法論を情報理論に基づき開発した。この手法は、滞留時間の時系列データからその時系列が持つすべての統計的相関の情報を過不足無く保持する唯一の速度論的スキームを抽出するものである。この手法は、一切の経験的パラメータに依存しない、という特徴をもつ。構成された本速度論的スキームを用いることで、実験により得られる滞在時間の時系列に観測される相関、記憶等と速度論的スキームのネットワーク構造との対応関係を明らかにすることができるものと期待される(PNAS投稿予定)。
日本学術振興会, 特定領域研究, 北海道大学, 21023001 - 複雑反応系に対するダイナミックス理論の基礎構築
科学研究費助成事業
2008 - 2009
小松崎 民樹
我々は熱的に揺らぐ環境下における状態変化の決定性の存在を調べるために、熱雑音存在下の化学反応を多次元一般化ランジュバン方程式で表現し、時間依存標準形理論をランダムな外力を受ける系に拡張し、系の反応性を決定する力学構造を抽出することに成功した。その結果、系の持つ複数の自由度間の非線形相互作用、およびランダムな外力の存在下においても、それらに応じた適切な座標を構成してその座標に射影して見ることによって運動が単純な形になることを見出し、またその座標変換を得るための具体的な手法を構築することに成功した。この特別な座標で見ることにより、ランダム力の存在下にあっても少なくとも鞍部点近くの領域においては反応するものとしないものとを分かつ境界が存在し、反応の帰趨は系が鞍部点近傍に入った時点でこの境界面のどちら側にあるかのみで決まっていることを実証した。この境界面は本研究で導入した新しい座標がゼロになる場所として解析的に与えることができる。新しい座標は元の座標およびランダム力の非線形な(汎)関数であるが、その解析的な形を見ることにより系の反応性に影響を及ぼす因子を環境の熱ゆらぎの効果、非線形性の効果、およびそれらが複合的に組合わされた効果に分類して理解することができる。また、高温・高エネルギー状況下において、そのような反応座標が存在しえない(ような)状況においても、相空間上に反応する・しないを分割する反応分割面は頑健に存在しえることを新規に見出した。独立な反応座標と反応の可否を律する反応分割面の存在は"対"として捉えられている従来の常識を覆すものであり、高温・高エネルギー領域における新規な反応様式の発見と高く評価することができる。
日本学術振興会, 特定領域研究, 北海道大学, 20038001 - 複雑反応系に対するダイナミックス理論の基礎構築
科学研究費助成事業
2006 - 2007
小松崎 民樹; 戸田 幹人
複雑反応系ダイナミックスにおける相空間の構造解析理論の構築:
従来の統計的反応論では、反応速度定数の存在が自明のものとされ、ポテンシャル井戸内における存在確率は指数関数的な時間変化をすると考えられている。しかし統計的反応論の前提であるエルゴード性が成り立たない場合、ポテンシャル井戸内の存在確率が必ずしも指数的な時間変化をするとは限らない。ポテンシャル井戸内におけるエルゴード性の仮定を満たさない反応論のモデルを用いて、ベキ的な挙動における相空間構造を解析した。このモデルでは、ポテンシャル井戸内における古典軌道の滞在時間分布において比較的短い滞在時間にベキ的な分布が見られる一方、長時間の滞在時間分布は指数的になっている。相空間構造を解析した結果、ベキ的挙動の軌道が非線形共鳴から離れたところを動いていること、これに対して指数的な軌道が共鳴の交差を中心とした領域を動いていることが判明した。これらは、非エルゴード的なポテンシャルでは複数の異なる統計的挙動を観測できることを意味しており、同様の結果が、HCN→CNHの異性化反応においても見出された。
蛋白質フォールディングにおける粗視化されたスケールに現れる協同性を評価するために、無限小変位に対する軌道不安定性を評価するリヤプノフ指数を有限空間スケールに一般化した有限サイズリヤプノフ指数と主成分解析を融合した新しい解析手法を開発した。46ビーズたんぱく質モデルの折り畳みダイナミックスに適用し、折り畳み温度において、(天然状態を探し当てるための)変性状態のダイナミックスは、粗視化された有限空間スケールにおいては、数学的に探索効率がもっともよいと知られるLevy飛行的な弾道的拡散運動をしていることなどを新規に明らかにした。
日本学術振興会, 特定領域研究, 北海道大学, 19029030 - Geometric Structure of Multi-dimensional Chaos and Its Application to Reactions in Non-equilibrium
Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (B)
2004 - 2006
TODA Mikito; KOMATSUAZKI Tamiki
We have formulated the dynamical theory of reactions based on the concept of normally hyperbolic invariant manifolds (NHIMs). This enables us to obtain a mathematically firm foundation of the concept of "transition states" in reaction processes. Moreover, it offers a possibility of going over the conventional ideas of reactions. The first is the possibility of breakdown of the normal hyperbolicity caused by chaos on the NHIM. Note that normal hyperbilicity means that instability along the normal directions is larger than that along the tangential directions. However, when chaos on the NHIM becomes comparable to the instability along the normal directions, the normal hyperbolicity is at the edge of breaking down. We have constructed a model system where this phenomenon can be analyzed using the Lie transformation and Pade summation. The breakdown means, in the context of reactions, that a new set of degrees of freedom start to contribute collective degrees of freedom describing reactions. This opens a new horizon in studying the reaction processes. The second achievement is to indicate that a power-law behavior is observed when the dynamics in the potential well is non-ergodic. We have constructed a model where the Arnold web in the well is sparse and non-uniform. The distribution of residence times exhibit a power-law properties and the dynamics in the well show anomalous diffusion. These phenomena indicate that the traditional concept of the reaction rate constat does not exists any more. The above two aspects of the reaction processes indicate that the dynamical theory of reactions offer a new possibility of understanding reactions.
Japan Society for the Promotion of Science, Grant-in-Aid for Scientific Research (B), Nara Women's University, 16340113 - 相空間構造に基づく多遷移反応動力学とメソスケールで発現する新規なダイナミックス
科学研究費助成事業
2004 - 2005
小松崎 民樹
1)反応遷移における統計性の起源
(摂動に対して滑らかにのみ変化し、急に消失することはない)構造安定な不変多様体がどのような状況下で崩壊し、反応遷移における真の確率過程(=反応選択性の消失)が出現するのか、については殆ど分かっていない。部分自由度に亘ってのみnormalizeする部分標準形理論を新たに導入し、活性化障壁よりも高いエネルギー領域においてNHIMの熱浴自由度間の共鳴がNHIMの構造安定性に与える影響を解析し、遷移過程が真に熱的になるメカニズムを解明した(投稿中)。
2)一分子時系列情報から背後に潜む状態空間の幾何構造を評価する手法の開発
第0近似として各準安定状態において局所平衡が達成されることを仮定し、退色効果などにより十分なサンプルが得られないような"短時間の"1分子時系列の"集団"から、(1)エネルギー障壁の高低や観測時間に依らずにすべて(少なくとも局所的に)平衡統計に従うことが仮定し、1分子時系列情報のみから系が経巡る各状態の分布関数を自己無撞着に決定し、各状態に滞在する滞在確率から対応する(局所的な)自由エネルギー値を、異なる状態間を"横断する遷移確率から対応する活性化自由エネルギーを推定する方法論を構築した。(2)観測時間が短い状況下では、特に、局所平衡が成立しない可能性が大きい。このため、局所平衡統計を前提としない、状態空間上の遷移ネットワーク構造を構成する方法論を構築し、その有用性を検討した(投稿準備中)。
このほか、遷移状態の分岐現象、O(^1D)+N_2O→NO+NO気相反応における短寿命反応経路における2つのNO分子間の高速エネルギー交換のメカニズムの解明、多次元エネルギー地形における構造多様性の尺度の開発も行った。
日本学術振興会, 特定領域研究, 神戸大学, 16032209 - Dynamical Emergence Principle of Reaction Selectivity and Molecular Memory in Chemical Reactions' and Biomolecular Systems
Grants-in-Aid for Scientific Research
2003 - 2005
KOMATSUZAKI Tamiki
No-return transition states (TSs) defined in multidimensional phase space, where recrossing trajectories through the commonly used ‘configuration' TS pass only once, robustly exist up to moderately high energy regime above the reaction threshold even when nonlinear resonances among the bath degrees of freedom perpendicular to the reaction coordinate result in local chaos. However, at much higher energy when global chaos appears in the bath space, the separability of the reaction coordinate from the bath degrees of freedom ceases to hold locally. In the phase space near the saddles, it is found that the slower the system passes the TS, the more recrossing trajectories reappear. Their implications and mechanisms are discussed concerning to what extent one can define no-return TSs in high energy regime above the reaction threshold.
We also developed a new empirical self-consistent scheme to elucidate the local ergodic state distribution function and construct effective multidimensional free energy landscape from an ensemble of short single molecule time series. It is possible to capture not the entire topography of the multidimensional free energy landscape but the regions where the system wanders frequently. Using local ergodicity ansatz as a 0^order description, we constructed the multidimensional "free energy" landscape where several local ergodic states are linked with introducing a "distance" among them. Evaluating on the probability of transition sequences sampled in an ensemble of single molecule time series, one can analyze non-Markovianity along several transition paths. e.g., relationship between memory and length of transition paths. As a function of n_s time window to estimate the short time distribution, we can also assign the number of accessible superbasins (a set of states) within time n_s.
Japan Society for the Promotion of Science, Grant-in-Aid for Scientific Research (C), Kobe University, 15540394相空間構造に基づく多遷移反応動力学とメソスケールで発現する新規なダイナミックス
科学研究費助成事業
2003 - 2003
小松崎 民樹
我々は粗視化したスケールの揺らぎに比べて充分小さいが、微視的スケールの揺らぎに比べて大きい変位に対する「粗視化されたレベル」における協同運動を図る指標としてカオス力学系の有限サイズリヤプノブ指数を用いて「進化の所産として獲得された(とされる)」ファネル型と非ファネル型エネルギー地形をもつたんぱく質における遅い大振幅ダイナミックスにおける協同運動を解析した。有限サイズリヤプノフ指数とは、端的にいえば、可変な有限解像度のもとでの軌道不安定性の強さに対応する。解析の結果、微視的には強いカオスであるが、大振幅運動を伴う主成分座標に投影した運動は「(微視的な)強力オス→(粗視化されたスケールの)弱カオス」への転移が観測され、フラストレーションがより小さいファネル型エネルギー地形ほど顕著にその傾向があることが分かった。凸凹なポテンシャルエネルギー面上で生起する化学反応動力学を記述する基礎理論を構築することを目的とし、「どのような条件下で異なるサドルを通過する反応軌道のあいだにダイナミカルな相関が持続しえるか」などの多遷移ダイナミックスに関する一般的性質を抽出するための少数自由度メタファーモデルを作成した。
研究成果に関しては、国際会議4件(うち、2件は招待講演)および日本蛋白質科学会、日本物理学会、分子構造総合討論会などで発表し、学術雑誌Adv.Chem.Phys.の編集と総説執筆を行った(2004年度以内に出版される予定)。
日本学術振興会, 特定領域研究, 神戸大学, 150352101分子時系列情報に基づく生体分子の構造転移パスウェイの多重性・多型性解析
科学研究費助成事業
2003 - 2003
小松崎 民樹
ケンブリッジ大のDavid J.Walesらと共同で「ファネル型エネルギー地形は(非ファネル型エネルギー地形に比べて)どれくらいの少数自由度に縮約可能であろうか」ということを主成分解析とエネルギー停留点解析により調べた。その結果、ファネル型エネルギー地形では、非ファネル型に比べて、より少数自由度に縮約可能であること、ならびに、ファネル型では非ファネル型に比べて最安定構造近傍のエネルギー地形のトポロジーは"摂動の下"保存しやすい傾向があることを明らかにした。エネルギー地形上の凸凹(ruggedness)が存在することで、反応が加速される現象が理論・実験の両面から近年指摘されているが、その理論的な解釈は充分与えられていない。我々は純粋なRuggednessに起因するキネテックスの変化のみを抽出する単純なモデルを構築し、ガウス定常過程を仮定したmean first passage time解析よりruggednessの存在による蛋白質の折れ畳み過程の加速効果に対する物理的な解釈を与えた。その結果、窪みが存在することで始原系から窪みへ到達する過程は(窪みの深さがある程度の深さまで)反応は加速し、窪みから生成系へ至る過程は減速されること、前者で反応が加速するのは、窪んだ中間状態から始原系へ逆流することが抑制されるため実効的反応速度は増大するためであること、また、窪みは生成系よりにあるほうが始原系よりにあるよりも反応は加速されることなどを明らかにした。このほか、蛋白質ダイナミックスの主成分空間の多重エルゴード性や溶媒自由度の動的効果に関する研究を行った。
研究成果に関しては、国際会議4件(うち、2件は招待講演)および日本蛋白質科学会、日本物理学会、分子構造総合討論会などで発表し、学術雑誌Adv.Chem.Phys.の編集と総説執筆を行った(2004年度以内に出版される予定)。
日本学術振興会, 特定領域研究, 神戸大学, 15014221アミノ酸配列空間上の蛋白質の折れ畳みダイナミックスにおける規則的階層性の探索
科学研究費助成事業
2002 - 2002
小松崎 民樹
タンパク質フォールディングの計算機シミュレーションならびに1分子計測の時系列データに対し、前年度から開発しているカオス時系列解析手法を適用し、タンパク質フォールディングの動的構築原理を考察した。
1)効率良く折れ畳む蛋白質とそうではない人工蛋白質の46ビーズモデルに対する折れ畳みシュミレーション、Duan-Kollmanの1マイクロ秒全原子折れ畳みシミュレーション、シトクロムcの変性状態-モルテングロービュル状態間転移の1分子計測において、i)ファネル型エネルギー地形では、非ファネル型地形よりも、転移温度では、より強い非定常・非マルコフ的なダイナミックスが存在するii)主成分モードの殆どは、たかだか100MDステツプで「位置の記憶」を完全に忘れるが、転移温度では、大振幅なゆっくりした主成分モードに沿って記憶が保持される傾向が強いiii)微視的には強いカオスであるが、大振幅運動を伴う協同座標に沿った運動は、粗視化されたスケールでは弱いカオスを有するモード的な運動形態が存在し、フラストレーションがより小さいファネル型エネルギー地形ほどその傾向が強い2)αβ、β、α小タンパク質のバネビーズ郷モデルを用いてフォールディングの非定常性・非マルコフ性を解析し、折れ畳速度が速いαヘリックスを有する小タンパク質ほど時系列は非定常→定常領域にすばやく移行し、結果として記憶を保持する時間が短いことなどが判明した。
また、日中理論化学会議,The 6th World Congress of Theoretically Oriented Chemists (スイス)などの国際会議および日本蛋白質科学会、CBI学会、分子構造総合討論会、日本生物物理学会などで成果発表した。また、現在、国内外の複数の会議・ワークショップから講演依頼を受けている。
日本学術振興会, 特定領域研究, 神戸大学, 14015219アミノ酸配列空間上の蛋白質の折れ畳みダイナミックスにおける規則的階層性の探索
科学研究費助成事業
2001 - 2001
小松崎 民樹
効率良く折れ畳む蛋白質(good folder)とそうではない人工蛋白質(bad folder)のThirumalaiらの46ビーズモデルに対する折れ畳みシュミレーションのダイナミックスに対し、主成分解析と埋め込み論を併用し、折れ畳み易さ・頑健性の違いをその規則構造の次元性、階層的なメカニズムの有無、エネルギーLandscapeの観点から解析した。揺らぎの大きい10数主成分の次元が相対的に低く、かつ転移温度では他の温度領域のそれに比べて顕著に小さく、転移温度領域のダイナミックスは非ブラウン運動的な規則性を保有する傾向があることが分かった。数十個の原子クラスターの擬相転移や液体のガラス転移においても、相転移温度付近において、非確率過程的なダイナミックスが知られており、本研究はGarciaらによる酸化チトクロームcの水溶液中の蛋白揺らぎの異常拡散に対する理論的な裏づけを与えたことに相当する。ファネル・非ファネル型ランドスケープによる相違は、ファネル型のエネルギー地形のほうがフオールディングダイナミックスをより幅広い温度領域に渡ってregularizeする傾向があることが具体的に示唆された。
研究成果に関しては、Telluride Summer、Colorado USA(invited)、The 4^International Conference on Biological Physics, Kyotoなどの国際会議および生理学研究所研究会「蛋白質ダイナミクス及びプリオン機構研究会」(依頼)、日本物理学会、分子構造総合討論会などで発表した。学術雑誌 物性研究、生物物理(依頼)、Journal of Physical Chemistry(invited)に年度内に投稿する。
日本学術振興会, 特定領域研究(C), 神戸大学, 13208017Regularity and Non-statistical Nature of Transition Dynamics and Chemical Reaction Dynamics Theory
Grants-in-Aid for Scientific Research
2000 - 2001
KOMATSUZAKI Tamiki
We have analyzed local regularities in the regions of transition states of a 6-atom Lennard-Jones cluster to demonstrate how one can choose a non-recrossing reaction path in phase space along which the transmission coefficient for the classical reaction path is unity from threshold up to a moderately high energy, at which the transition state is chaotic, and how one can picture the nonlinear, full-phase-space character of dividing hypersurface by projecting it into spaces of only a few dimensions. These overcome one of the long-standing ambiguities in chemical reaction theories, recrossing problem, up to moderately high energies, and make transition state theory more generalized, applicable even in cases that apparent recrossings spoil the conventional theory.
Japan Society for the Promotion of Science, Grant-in-Aid for Scientific Research (C), Kobe University, 12640498化学反応における遷移過程の動力学的階層構造に関する研究
科学研究費助成事業
2000 - 2001
小松崎 民樹
鞍部領域の相空間のトポロジーを考慮に入れた反応遷移における新しい動的選択規則を新規に開発した。この選択則は殆んどすべての自由度がカオス的であっても反応の「終状態」(もしくは「始状態」)はアプリオリに決まっていることを主張するもので、種々のエネルギー領域におけるアルゴンクラスターの異性化反応にその手法を適用し、軌道計算により得られた終状態をはば広いエネルギー領域において非常に高い確率で予測できることを示すことに成功した。現在、その研究成果をJ. Chem. Phys.に投稿予定であり、これまでの研究成果の総説執筆を依頼されており、近くAdv. Chem. Phys.において発表予定である。
高次元カオスと化学反応の動力学の研究は1980年台後半から米国を中心に精力的に行われていたが、3次元系以上への拡張は本質的な困難を伴うため頓挫していた。本研究は鞍部領域の局所から大域へ繋ぐseparatrix理論を多次元に拡張する上で、大きな手掛かりを与えており、現在、我々の研究を契機に、我々のグループ(小松崎、戸田、Rice、Berry)と独立にWiggins、Uzerらが独立に研究に着手し始めた。今回導出した反応遷移の選択規則は、反応を速く進行させるために反応開始時にどのような初期状態を設定すれば良いかを探る絶好の手段であり、アプリオリな局所平衡近似を越えて、溶媒を分子摩擦と捉える描像、更には通常のモード選択性の概念を越えて、新しい反応制御を創出する可能性を国内外の研究者に提言できたといえる。
この他、フォールディングダイナミックスに関しても、ブラウン的な確率過程のなかの規則的遷移を解明するプロジェクトを本研究期間中に開始しており、その結果の一部を近く生物物理、Journal of Physical Chemistry (共にinivited)に投稿予定である。
日本学術振興会, 特定領域研究(A), 神戸大学, 12042254蛋白質折り畳みにおける分子遷移のカオスと複雑性
Competitive research funding1分子時系列情報に基づく反応ネットワーク構造の構成論とその複雑さ解析
Competitive research funding生体分子機能および化学反応網における選択性と統計性のダイナミックス基盤の創生
Competitive research funding蛋白質の折り畳み運動解明を目指した一分子観測法の確立-一分子観察実験のための新しいデータ解析手法の開発
Competitive research fundingNonequilibrium Reaction Dynamics Theory Based on the Geometrical Structure of Phase Space
Competitive research fundingChaos and complexity in the dynamics of molecular transitions during protein folding
Competitive research fundingA Constructive Theory of Reaction Network and Complexity Analysis from Single Molecule Time Series
Competitive research fundingAn Establishment of Dynamical Foundations of Selectivity and Stochasticity in Biomolecule Functions
Competitive research fundingNew Single Molecule Measurement toward full understanding of the complexity of Protein Folding
Competitive research funding
