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The dynamic Schr\"odinger bridge problem seeks a stochastic process that defines a transport between two target probability measures, while optimally satisfying the criteria of being closest, in terms of Kullback-Leibler divergence, to a…

Machine Learning · Statistics 2023-12-25 Stefano Peluchetti

Data-driven discovery of governing equations from data remains a fundamental challenge in nonlinear dynamics. Although sparse regression techniques have advanced system identification, they struggle with rational functions and noise…

Machine Learning · Computer Science 2025-11-17 Zitong Zhang , Hao Sun

We propose a probabilistic framework for developing computational models of biological neural systems. In this framework, physiological recordings are viewed as discrete-time partial observations of an underlying continuous-time stochastic…

Neurons and Cognition · Quantitative Biology 2026-02-10 Ahmed ElGazzar , Marcel van Gerven

Molecular Dynamics (MD) simulations provide a fundamental tool for characterizing molecular behavior at full atomic resolution, but their applicability is severely constrained by the computational cost. To address this, a surge of deep…

Machine Learning · Computer Science 2026-03-02 Ziyang Yu , Wenbing Huang , Yang Liu

Cross-sectional studies are widely prevalent since they are more feasible to conduct compared to longitudinal studies. However, cross-sectional data lack the temporal information required to study the evolution of the underlying processes.…

Computational Engineering, Finance, and Science · Computer Science 2021-02-24 Pritha Dutta , Rick Quax , Loes Crielaard , Peter M. A. Sloot

Adaptive control in biological systems, such as intestinal immunity, remains poorly understood despite detailed knowledge of underlying regulatory networks. We propose an alternative framework based on stochastic martingale turnover, in…

Adaptation and Self-Organizing Systems · Physics 2026-05-01 Tomoyuki Yamaguchi

Laplacian regularized stratified models (LRSM) are models that utilize the explicit or implicit network structure of the sub-problems as defined by the categorical features called strata (e.g., age, region, time, forecast horizon, etc.),…

Machine Learning · Statistics 2023-05-05 Ziheng Cheng , Junzi Zhang , Akshay Agrawal , Stephen Boyd

We consider the problem of sampling transition paths between two given metastable states of a molecular system, e.g. a folded and unfolded protein or products and reactants of a chemical reaction. Due to the existence of high energy…

Biomolecules · Quantitative Biology 2023-07-19 Lars Holdijk , Yuanqi Du , Ferry Hooft , Priyank Jaini , Bernd Ensing , Max Welling

We consider the problem of sampling from an unknown distribution for which only a sufficiently large number of training samples are available. In this paper, we build on previous work combining Schr\"odinger bridges and plug & play Langevin…

Machine Learning · Statistics 2024-11-19 Georg A. Gottwald , Sebastian Reich

Computational methods for learning to sample from the Boltzmann distribution -- where the target distribution is known only up to an unnormalized energy function -- have advanced significantly recently. Due to the lack of explicit target…

Machine Learning · Statistics 2025-11-26 Guan-Horng Liu , Jaemoo Choi , Yongxin Chen , Benjamin Kurt Miller , Ricky T. Q. Chen

Constrained clustering leverages limited domain knowledge to improve clustering performance and interpretability, but incorporating pairwise must-link and cannot-link constraints is an NP-hard challenge, making global optimization…

Machine Learning · Computer Science 2025-10-28 Pedro Chumpitaz-Flores , My Duong , Cristobal Heredia , Kaixun Hua

This work proposes a simple yet effective sampling framework for combinatorial optimization (CO). Our method builds on discrete Langevin dynamics (LD), an efficient gradient-guided generative paradigm. However, we observe that directly…

Machine Learning · Computer Science 2025-12-22 Shengyu Feng , Yiming Yang

Realistic models of physical world rely on differentiable symmetries that, in turn, correspond to conservation laws. Recent works on Lagrangian and Hamiltonian neural networks show that the underlying symmetries of a system can be easily…

Machine Learning · Computer Science 2021-10-13 Ravinder Bhattoo , Sayan Ranu , N. M. Anoop Krishnan

This study investigates the potential for biological systems to be governed by a variational principle, suggesting that such systems may evolve to minimize or optimize specific quantities. To explore this idea, we focus on identifying…

Populations and Evolution · Quantitative Biology 2025-02-27 Andronikos Paliathanasis , Kevin Duffy

We consider stochastic approximations of sampling algorithms, such as Stochastic Gradient Langevin Dynamics (SGLD) and the Random Batch Method (RBM) for Interacting Particle Dynamcs (IPD). We observe that the noise introduced by the…

Probability · Mathematics 2023-10-10 Aniket Das , Dheeraj Nagaraj , Anant Raj

We consider the Schr\"odinger bridge problem which, given ensemble measurements of the initial and final configurations of a stochastic dynamical system and some prior knowledge on the dynamics, aims to reconstruct the "most likely"…

Machine Learning · Statistics 2026-02-04 Stephen Y. Zhang , Michael P H Stumpf

Constrained optimization is popularly seen in reinforcement learning for addressing complex control tasks. From the perspective of dynamic system, iteratively solving a constrained optimization problem can be framed as the temporal…

Machine Learning · Computer Science 2025-01-28 Tianqi Zhang , Puzhen Yuan , Guojian Zhan , Ziyu Lin , Yao Lyu , Zhenzhi Qin , Jingliang Duan , Liping Zhang , Shengbo Eben Li

Continual Learning (CL) poses a significant challenge in Artificial Intelligence, aiming to mirror the human ability to incrementally acquire knowledge and skills. While extensive research has focused on CL within the context of…

Machine Learning · Computer Science 2024-06-10 Haotian Zhang , Junting Zhou , Haowei Lin , Hang Ye , Jianhua Zhu , Zihao Wang , Liangcai Gao , Yizhou Wang , Yitao Liang

Non-standard Lagrangians do not display any discernible energy-like terms, yet they give the same equations of motion as standard Lagrangians, which have easily identifiable energy-like terms. A new method to derive non-standard Lagrangians…

Populations and Evolution · Quantitative Biology 2023-01-24 Diana T. Pham , Zdzislaw E. Musielak

When governed by underlying low-dimensional dynamics, the interdependence of simultaneously recorded population of neurons can be explained by a small number of shared factors, or a low-dimensional trajectory. Recovering these latent…

Machine Learning · Statistics 2017-04-20 Yuan Zhao , Il Memming Park