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Finding a transformation between two unknown probability distributions from finite samples is crucial for modeling complex data distributions and performing tasks such as sample generation, domain adaptation and statistical inference. One…

Machine Learning · Computer Science 2024-07-11 Zhe Xiong , Qiaoqiao Ding , Xiaoqun Zhang

In this paper we consider parameter estimation for discretely observed diffusion processes. In particular, we focus on data that are observed at low frequency and methodology that can estimate parameters with uncertainty quantification.…

Computation · Statistics 2026-05-01 Jingning Yao , Ajay Jasra , Sheng Jiang

Langevin Dynamics is a Stochastic Differential Equation (SDE) central to sampling and generative modeling and is implemented via time discretization. Langevin Monte Carlo (LMC), based on the Euler-Maruyama discretization, is the simplest…

Machine Learning · Computer Science 2025-10-10 Saravanan Kandasamy , Dheeraj Nagaraj

Processes slow compared to atomic vibrations pose significant challenges in atomistic simulations, particularly for phenomena such as diffusive relaxations and phase transitions, where repeated crossings and the shear number of thermally…

Materials Science · Physics 2025-12-15 Hoje Chun , Hao Tang , Bin Xing , Rafael Gomez-Bombarelli , Ju Li

Computational fluid dynamics (CFD) provides high-fidelity simulations of fluid flows but remains computationally expensive for many-query applications. In recent years deep learning (DL) has been used to construct data-driven fluid-dynamic…

Machine Learning · Computer Science 2026-04-13 David Ramos , Lucas Lacasa , Fermín Gutiérrez , Eusebio Valero , Gonzalo Rubio

Remote sensing change detection (RSCD) aims to localise changes between two images of the same geographic region. In practice, change masks often follow region-level annotation conventions rather than purely local appearance differences,…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Blaž Rolih , Matic Fučka , Filip Wolf , Luka Čehovin Zajc

Markov decision processes (MDP) and continuous-time MDP (CTMDP) are the fundamental models for non-deterministic systems with probabilistic uncertainty. Mean payoff (a.k.a. long-run average reward) is one of the most classic objectives…

Systems and Control · Electrical Eng. & Systems 2022-06-06 Chaitanya Agarwal , Shibashis Guha , Jan Křetínský , M. Pazhamalai

Learning to sample from complex unnormalized distributions is a fundamental challenge in computational physics and machine learning. While score-based and variational methods have achieved success in continuous domains, extending them to…

Machine Learning · Statistics 2026-03-11 Lei Li , Zhen Wang , Lishuo Zhang

This paper contributes an in-depth study of properties of continuous time Markov chains (CTMCs) on non-negative integer lattices $\N_0^d$, with particular interest in one-dimensional CTMCs with polynomial transitions rates. Such stochastic…

Probability · Mathematics 2020-06-22 Chuang Xu , Mads Christian Hansen , Carsten Wiuf

In this contribution, we propose a new computationally efficient method to combine Variational Inference (VI) with Markov Chain Monte Carlo (MCMC). This approach can be used with generic MCMC kernels, but is especially well suited to…

We propose a new approach for estimating the finite dimensional transition matrix of a Markov chain using a large number of independent sample paths observed at random times. The sample paths may be observed as few as two times, and the…

Methodology · Statistics 2025-05-20 Daphne Aurouet , Valentin Patilea

We introduce ImitationFlow, a novel Deep generative model that allows learning complex globally stable, stochastic, nonlinear dynamics. Our approach extends the Normalizing Flows framework to learn stable Stochastic Differential Equations.…

Machine Learning · Computer Science 2020-10-27 Julen Urain , Michelle Ginesi , Davide Tateo , Jan Peters

We present a data-driven point of view for rare events, which represent conformational transitions in biochemical reactions modeled by over-damped Langevin dynamics on manifolds in high dimensions. We first reinterpret the transition state…

Optimization and Control · Mathematics 2023-04-06 Yuan Gao , Tiejun Li , Xiaoguang Li , Jian-Guo Liu

We introduce Time-Conditioned Contraction Matching (TCCM), a novel method for semi-supervised anomaly detection in tabular data. TCCM is inspired by flow matching, a recent generative modeling framework that learns velocity fields between…

Machine Learning · Computer Science 2025-10-22 Zhong Li , Qi Huang , Yuxuan Zhu , Lincen Yang , Mohammad Mohammadi Amiri , Niki van Stein , Matthijs van Leeuwen

We consider here a fully discrete variant of the implicit variational scheme for mean curvature flow [AlmTayWan,LucStu], in a setting where the flow is governed by a crystalline surface tension defined by the limit of pairwise interactions…

Analysis of PDEs · Mathematics 2025-06-10 Antonin Chambolle , Daniele De Gennaro , Massimiliano Morini

Learning a Markov Decision Process (MDP) from a fixed batch of trajectories is a non-trivial task whose outcome's quality depends on both the amount and the diversity of the sampled regions of the state-action space. Yet, many MDPs are…

Machine Learning · Computer Science 2022-03-08 Giorgio Angelotti , Nicolas Drougard , Caroline P. C. Chanel

Discrete diffusion models offer a promising alternative to autoregressive generation through parallel decoding, but they suffer from a sampling wall: once categorical sampling occurs, rich distributional information collapses into one-hot…

Machine Learning · Computer Science 2026-05-14 Mingyu Jo , Jaesik Yoon , Justin Deschenaux , Caglar Gulcehre , Sungjin Ahn

Crystal modeling spans a family of conditional and unconditional generation tasks, including crystal structure prediction (CSP) and de novo generation (DNG). While recent deep generative models have shown promising performance, they remain…

Machine Learning · Computer Science 2026-05-26 Kiyoung Seong , Sungsoo Ahn , Sehui Han , Changyoung Park

Conditional human motion generation is an important topic with many applications in virtual reality, gaming, and robotics. While prior works have focused on generating motion guided by text, music, or scenes, these typically result in…

Computer Vision and Pattern Recognition · Computer Science 2024-02-26 German Barquero , Sergio Escalera , Cristina Palmero

Diffusion models exhibit remarkable generative capability, but their high latency limits practical deployment. Many studies have attempted to reduce sampling steps to accelerate inference. Among them, MeanFlow has attracted considerable…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Xiao He , Yang Li , Peizhen Zhang , Songtao Liu , Zhao Zhong , Nannan Wang