[HTML][HTML] State predictive information bottleneck

D Wang, P Tiwary - The Journal of Chemical Physics, 2021 - pubs.aip.org
… that the bottleneck variable learned in SPIB tries to carry the maximum information of the
state-… separation between the state-to-state transitions and the fluctuations within metastable …

Accelerating all-atom simulations and gaining mechanistic understanding of biophysical systems through state predictive information bottleneck

S Mehdi, D Wang, S Pant, P Tiwary - Journal of chemical theory …, 2022 - ACS Publications
… In this work, we focus on the recently developed artificial intelligence-based State Predictive
Information Bottleneck (SPIB) approach and demonstrate how SPIB can learn such a …

Past-future information bottleneck in dynamical systems

F Creutzig, A Globerson, N Tishby - … Review E—Statistical, Nonlinear, and Soft …, 2009 - APS
predictive information from incoming temporal signals is crucial for two reasons. First,
predictive … We now state the past-future information bottleneck of dynamical systems PFIB. The …

Information bottleneck approach to predictive inference

S Still - Entropy, 2014 - mdpi.com
… Recently, predictive information was proposed … information theoretic approach to predictive
inference taken in the present paper is based on a simple extension of predictive information (…

Nonlinear information bottleneck

A Kolchinsky, BD Tracey, DH Wolpert - Entropy, 2019 - mdpi.com
… Moreover, the clustering is particularly tight for nonlinear IB, meaning that the bottleneck
states carry almost no information about input vectors beyond class identity. Note that in this …

A graph neural network-state predictive information bottleneck (GNN-SPIB) approach for learning molecular thermodynamics and kinetics

Z Zou, D Wang, P Tiwary - Digital Discovery, 2025 - pubs.rsc.org
… -State Predictive Information Bottleneck (GNN-SPIB) framework, which combines graph neural
networks and the state predictive information bottleneck to … and kinetic information for slow …

[PDF][PDF] The information bottleneck: Theory and applications

N Slonim - 2002 - Citeseer
… Thus, the information that contains about is squeezed through a compact “bottleneck”, …
This thesis first reviews in detail the Information Bottleneck (IB) approach and its relations to …

Simulating Crystallization in a Colloidal System Using State Predictive Information Bottleneck Based Enhanced Sampling

VJ Meraz, Z Zou, P Tiwary - The Journal of Physical Chemistry B, 2024 - ACS Publications
… Employing a one-dimensional reaction coordinate derived from the State Predictive Information
Bottleneck framework, our simulations capture back-and-forth phase transitions across …

Dynamic bottleneck with a predictable prior for image-based deep reinforcement learning

B You, B Chen, L Yao, Y Chen, J Xie - Expert Systems with Applications, 2024 - Elsevier
… of state. In this paper, we propose an information-theoretic dynamic bottleneck objective
with a predictable parametric prior, which preserves and compresses predictive information

Past–future information bottleneck for sampling molecular reaction coordinate simultaneously with thermodynamics and kinetics

Y Wang, JML Ribeiro, P Tiwary - Nature communications, 2019 - nature.com
… For this we use the Predictive Information Bottleneck framework used for the first two …
complex yet most predictive aspects of a given biomolecular trajectory. This information is used to …