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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

This paper introduces a novel approach for modelling time-varying connectivity in neuroimaging data, focusing on the slow fluctuations in synaptic efficacy that mediate neuronal dynamics. Building on the framework of Dynamic Causal…

Neurons and Cognition · Quantitative Biology 2024-12-05 Johan Medrano , Karl J. Friston , Peter Zeidman

Learning discrete neural samplers is challenging due to the lack of gradients and combinatorial complexity. While stochastic optimal control (SOC) and Schr\"odinger bridge (SB) provide principled solutions, efficient SOC solvers like…

Many kinds of data can be represented as a network or graph. It is crucial to infer the latent structure underlying such a network and to predict unobserved links in the network. Mixed Membership Stochastic Blockmodel (MMSB) is a promising…

Social and Information Networks · Computer Science 2013-12-10 Tomoki Kobayashi , Koji Eguchi

Longitudinal item response data are common in social science, educational science, and psychology, among other disciplines. Studying the time-varying relationships between items is crucial for educational assessment or designing marketing…

Methodology · Statistics 2021-10-26 Jaewoo Park , Yeseul Jeon , Minsuk Shin , Minjeong Jeon , Ick Hoon Jin

Ultra Low Field (64 mT) brain MRI improves accessibility but suffers from reduced image quality compared to 3 T. As paired 64 mT - 3 T scans are scarce, we propose an unpaired 64 mT $\rightarrow$ 3 T translation framework that enhances…

Computer Vision and Pattern Recognition · Computer Science 2026-03-06 Youngmin Kim , Jaeyun Shin , Jeongchan Kim , Taehoon Lee , Jaemin Kim , Peter Hsu , Jelle Veraart , Jong Chul Ye

Modern methods of generative modelling and unpaired data translation based on Schr\"odinger bridges and stochastic optimal control theory aim to transform an initial density to a target one in an optimal way. In the present paper, we assume…

Machine Learning · Computer Science 2026-03-24 Nikita Puchkin , Denis Suchkov , Alexey Naumov , Denis Belomestny

Although many real-world stochastic planning problems are more naturally formulated by hybrid models with both discrete and continuous variables, current state-of-the-art methods cannot adequately address these problems. We present the…

Artificial Intelligence · Computer Science 2012-07-19 Carlos E. Guestrin , Milos Hauskrecht , Branislav Kveton

Data-driven inference of the generative dynamics underlying a set of observed time series is of growing interest in machine learning and the natural sciences. In neuroscience, such methods promise to alleviate the need to handcraft models…

Machine Learning · Computer Science 2024-11-06 Eric Volkmann , Alena Brändle , Daniel Durstewitz , Georgia Koppe

The analysis of mixed data has been raising challenges in statistics and machine learning. One of two most prominent challenges is to develop new statistical techniques and methodologies to effectively handle mixed data by making the data…

Machine Learning · Computer Science 2017-08-21 Tu Dinh Nguyen , Truyen Tran , Dinh Phung , Svetha Venkatesh

The Schr\"odinger Bridge provides a principled framework for modeling stochastic processes between distributions; however, existing methods are limited by energy-conservation assumptions, which constrains the bridge's shape preventing it…

Machine Learning · Computer Science 2026-05-08 Andrea Testa , Søren Hauberg , Tamim Asfour , Leonel Rozo

Flow and bridge matching are a novel class of processes which encompass diffusion models. One of the main aspect of their increased flexibility is that these models can interpolate between arbitrary data distributions i.e. they generalize…

Machine Learning · Computer Science 2023-11-14 Valentin De Bortoli , Guan-Horng Liu , Tianrong Chen , Evangelos A. Theodorou , Weilie Nie

Transportation on graphs is a fundamental challenge across many domains, where decisions must respect topological and operational constraints. Despite the need for actionable policies, existing graph-transport methods lack this…

Machine Learning · Computer Science 2026-02-05 Panagiotis Theodoropoulos , Juno Nam , Evangelos Theodorou , Jaemoo Choi

Spatio-Temporal Multivariate time series Forecast (STMF) uses the time series of $n$ spatially distributed variables in a period of recent past to forecast their values in a period of near future. It has important applications in…

Machine Learning · Computer Science 2025-10-29 Zibo Liu , Zhe Jiang , Zelin Xu , Tingsong Xiao , Yupu Zhang , Zhengkun Xiao , Haibo Wang , Shigang Chen

We propose a procedure for estimating the Schr\"odinger bridge between two probability distributions. Unlike existing approaches, our method does not require iteratively simulating forward and backward diffusions or training neural networks…

Machine Learning · Statistics 2024-08-22 Aram-Alexandre Pooladian , Jonathan Niles-Weed

The Quantum Schr\"odinger Bridge Problem (QSBP) describes the evolution of a stochastic process between two arbitrary probability distributions, where the dynamics are governed by the Schr\"odinger equation rather than by the traditional…

Machine Learning · Computer Science 2025-10-01 Mykola Bordyuh , Djork-Arné Clevert , Marco Bertolini

We propose to learn the time-varying stochastic computational resource usage of software as a graph structured Schr\"odinger bridge problem. In general, learning the computational resource usage from data is challenging because resources…

Optimization and Control · Mathematics 2025-05-21 Georgiy A. Bondar , Robert Gifford , Linh Thi Xuan Phan , Abhishek Halder

We solve the Schr\"odinger equation from first principles to investigate the many-body effects in the expansion dynamics of one-dimensional repulsively interacting bosons released from a harmonic trap. We utilize the multiconfigurational…

Quantum Gases · Physics 2024-03-04 Rhombik Roy , Barnali Chakrabarti , Arnaldo Gammal

Complex systems can be effectively modeled via graphs that encode networked interactions, where relations between entities or nodes are often quantified by signed edge weights, e.g., promotion/inhibition in gene regulatory networks, or…

Optimization and Control · Mathematics 2024-04-05 Anqi Dong , Can Chen , Tryphon T. Georgiou

The Schr\"{o}dinger Bridge Problem (SBP), which can be understood as an entropy-regularized optimal transport, seeks to compute stochastic dynamic mappings connecting two given distributions. SBP has shown significant theoretical importance…

Optimization and Control · Mathematics 2025-03-25 Yang Jing , Lei Li , Jingtong Zhang