Copertina

An Information Bottleneck Approach for Markov Model Construction

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Wang, Dedi, Qiu, Yunrui, Beyerle, Eric, Huang, Xuhui, Tiwary, Pratyush
Natura:	Preprint
Pubblicazione:	2024
Soggetti:	Biological Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Augmenting Human Expertise in Weighted Ensemble Simulations through Deep Learning based Information Bottleneck
di: Wang, Dedi, et al.
Pubblicazione: (2024)

Latent Thermodynamic Flows: Unified Representation Learning and Generative Modeling of Temperature-Dependent Behaviors from Limited Data
di: Qiu, Yunrui, et al.
Pubblicazione: (2025)

Thermodynamically Optimized Machine-learned Reaction Coordinates for Hydrophobic Ligand Dissociation
di: Beyerle, Eric, et al.
Pubblicazione: (2023)

Identifying the leading dynamics of ubiquitin: a comparison between the tICA and the LE4PD slow fluctuations in amino acids' position
di: Beyerle, Eric, et al.
Pubblicazione: (2021)

Applied causality to infer protein dynamics and kinetics
di: Aranganathan, Akashnathan, et al.
Pubblicazione: (2025)

Graph Neural Network-State Predictive Information Bottleneck (GNN-SPIB) approach for learning molecular thermodynamics and kinetics
di: Zou, Ziyue, et al.
Pubblicazione: (2024)

Combined Representation and Generation with Diffusive State Predictive Information Bottleneck
di: John, Richard, et al.
Pubblicazione: (2025)

Inferring the Isotropic-nematic Phase Transition with Generative Machine Learning
di: Beyerle, Eric R., et al.
Pubblicazione: (2024)

Empowering AlphaFold2 for protein conformation selective drug discovery with AlphaFold2-RAVE
di: Gu, Xinyu, et al.
Pubblicazione: (2024)

From latent dynamics to meaningful representations
di: Wang, Dedi, et al.
Pubblicazione: (2022)

Recent advances in describing and driving crystal nucleation using machine learning and artificial intelligence
di: Beyerle, Eric R., et al.
Pubblicazione: (2023)

Coarse-graining conformational dynamics with multi-dimensional generalized Langevin equation: how, when, and why
di: Xie, Pinchen, et al.
Pubblicazione: (2024)

$π$-Girsanov: A Generalized Method to Construct Markov State Models from Non-Equilibrium and Multiensemble Biased Simulations
di: Zhang, Mingyuan, et al.
Pubblicazione: (2026)

Driving and characterizing nucleation of urea and glycine polymorphs in water
di: Zou, Ziyue, et al.
Pubblicazione: (2022)

Heterogeneity dominates irreversibility in random Markov models
di: Mosam, Faheem, et al.
Pubblicazione: (2026)

Atomic scale insights into NaCl nucleation in nanoconfined environments
di: Wang, Ruiyu, et al.
Pubblicazione: (2024)

Advances in the Simulation and Modeling of Complex Systems using Dynamical Graph Grammars
di: Medwedeff, Eric, et al.
Pubblicazione: (2024)

A Computational Approach for Modeling Platelet Adhesion Dynamics on Thrombogenic Surfaces
di: Lotfian, Ali, et al.
Pubblicazione: (2025)

General Theory of Static Response for Markov Jump Processes
di: Aslyamov, Timur, et al.
Pubblicazione: (2024)

Towards a Benchmark for Markov State Models: The Folding of HP35
di: Nagel, Daniel, et al.
Pubblicazione: (2023)

FP-IRL: Fokker--Planck Inverse Reinforcement Learning -- A Physics-Constrained Approach to Markov Decision Processes
di: Huang, Chengyang, et al.
Pubblicazione: (2023)

Systematizing Cellular Complexity: A Hilbertian Approach To Biological Problems
di: Dehghani, Nima
Pubblicazione: (2022)

Thermodynamics-inspired Explanations of Artificial Intelligence
di: Mehdi, Shams, et al.
Pubblicazione: (2022)

Simulating Crystallization in a Colloidal System Using State Predictive Information Bottleneck based Enhanced Sampling
di: Meraz, Vanessa J., et al.
Pubblicazione: (2024)

RNA Dynamics from Experimental and Computational Approaches
di: Bussi, Giovanni, et al.
Pubblicazione: (2024)

The Role of Sequence Information in Minimal Models of Molecular Assembly
di: Guntoro, Jeremy, et al.
Pubblicazione: (2024)

Emamectin benzoate sensing using vivianenes (2D vivianites)
di: Slathia, Surbhi, et al.
Pubblicazione: (2025)

Generalized Flow Matching for Transition Dynamics Modeling
di: Wang, Haibo, et al.
Pubblicazione: (2024)

Coarse-graining nonequilibrium diffusions with Markov chains
di: Nartallo-Kaluarachchi, Ramón, et al.
Pubblicazione: (2025)

Full Identification of a Growing and Branching Network's Spatio-Temporal Structures
di: Chassereau, Thibault, et al.
Pubblicazione: (2024)

Denoise Stepwise Signals by Diffusion Model Based Approach
di: Tong, Xingdi, et al.
Pubblicazione: (2026)

Large Scale Training of Graph Neural Networks for Optimal Markov-Chain Partitioning Using the Kemeny Constant
di: Martino, Sam Alexander, et al.
Pubblicazione: (2023)

Fluctuation-Driven Morphological Patterning: A Novel Approach to Morphogenesis
di: Agam, Oded, et al.
Pubblicazione: (2024)

Unifying Theories in High-Dimensional Biology: Approaches, Challenges and Opportunities
di: Bauer, Marianne, et al.
Pubblicazione: (2025)

Intelligent Nano-Fingerprinting: An Efficient and Precise Approach for Liquid Biopsy
di: Yang, Yuxin, et al.
Pubblicazione: (2026)

Deep Learning-Driven Protein Structure Prediction and Design: Key Model Developments by Nobel Laureates and Multi-Domain Applications
di: Yang, Wanqing, et al.
Pubblicazione: (2025)

An Open-Ended Approach to Understanding Local, Emergent Conservation Laws in Biological Evolution
di: Adams, Alyssa M, et al.
Pubblicazione: (2024)

Information processing driven by multicomponent surface condensates
di: Zentner, Aidan, et al.
Pubblicazione: (2025)

An Allosteric Model for the Influence of $\text{H}^+$ and $\text{CO}_2$ on Oxygen-Hemoglobin Binding
di: Huang, Heming, et al.
Pubblicazione: (2024)

Correlation Between DNA Double-Strand Break Distribution in 3D Genome and Radiation-Induced Cell Death
di: Hu, Ankang, et al.
Pubblicazione: (2024)