arXiv Machine Learning

Conditional Score-Based Modeling of Effective Langevin Dynamics

arXiv:2604. 23952v2 Announce Type: replace-cross Abstract: Stochastic reduced-order models are widely used to represent the effective dynamics of complex systems, but estimating their drift and diffusion coefficients from data remains challenging.

arXiv Machine Learning
Jun 9

In-Context Learning of Stochastic Differential Equations with Foundation Inference Models

arXiv:2502. 19049v3 Announce Type: replace Abstract: Stochastic differential equations (SDEs) describe dynamical systems where deterministic flows, governed by a drift function, are superimposed with random fluctuations, dictated by a diffusion function.

By Patrick Seifner, Kostadin Cvejoski, David Berghaus, Cesar Ojeda, Ramses J. Sanchez
arXiv Machine Learning
Aug 27

Improved Analysis for Hessian-free High-resolution Monte Carlo Sampling

The paper introduces Hessian-free high-resolution (HFHR) dynamics, an extension of underdamped Langevin dynamics that incorporates reversible position diffusion for sampling in machine learning. It provides an explicit quantitative contraction rate under a position Poincaré inequality, weighted Hessian and Laplacian bounds, and a compact Sobolev embedding, even when the potential is non‑convex. For the HFHR Monte Carlo algorithm, a path‑space Girsanov argument yields a non‑asymptotic convergence bound and an explicit iteration complexity in total variation distance, improving on previous HFHR results and demonstrating benefits of a positive diffusion parameter through numerical experiments.

By Wujun Lv, Xiaoyu Wang, Yingli Wang, Lingjiong Zhu
arXiv Statistics ML
Sep 4

Markov Chain Monte Carlo with Diffusion Paths

The paper introduces a new Markov chain Monte Carlo method that samples from multimodal distributions by interpolating along the diffusion path of a noising diffusion process, preserving mode weights and improving mixing. It proposes a Metropolis-adjusted diffusion path (MAD-Path) sampler that corrects for bias from approximate score estimates and discretization errors, ensuring the target distribution remains invariant. Experiments on Bayesian posteriors demonstrate that MAD-Path outperforms tempering-based MCMC and unadjusted diffusion samplers in global exploration and accurate mode-weight estimation.

By Han Chen, Sifan Liu, Jun Yang
arXiv Machine Learning
Jun 16

Graphical conditional generative modeling for digital twin modeling

arXiv:2606. 16219v1 Announce Type: cross Abstract: Digital twin modeling, including control and data assimilation under model uncertainty, often faces an open-ended fidelity problem: adding variables, data streams, and time scales can indefinitely increase model complexity, ultimately producing systems that are difficult to maintain, validate, interpret, and use for stress or safety testing.

By Zongren Zou, Th\'eo Bourdais, Ricardo Baptista, Houman Owhadi
arXiv Machine Learning
Sep 23

One-Step Generative Surrogate Models via Block-Triangular Joint Drifting

The paper introduces block‑triangular joint drifting, a method that applies a projected drift field to the joint distribution of consecutive states, enabling one‑step generative surrogate models for stochastic transition dynamics. This architecture preserves the current‑state marginal while directly sampling the conditional distribution of next states, allowing stochastic trajectories to be generated with a single model evaluation per time step. Experiments show that the approach achieves accurate marginal and trajectory‑dependent statistics with favorable accuracy‑cost tradeoffs compared to deterministic, diffusion, flow, and distillation‑based generative surrogates.

By Nicholas Geissler, Shreya Jha, Ricardo Baptista, Benjamin Peherstorfer