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Sampling the phase space of molecular systems -- and, more generally, of complex systems effectively modeled by stochastic differential equations -- is a crucial modeling step in many fields, from protein folding to materials discovery.…

Machine Learning · Computer Science 2023-12-12 Ellis R. Crabtree , Juan M. Bello-Rivas , Andrew L. Ferguson , Ioannis G. Kevrekidis

We analyze a class of chemical reaction networks under mass-action kinetics and involving multiple time-scales, whose deterministic and stochastic models display qualitative differences. The networks are inspired by gene-regulatory…

Molecular Networks · Quantitative Biology 2018-01-30 Tomislav Plesa , Radek Erban , Hans G. Othmer

The Deep Material Network (DMN) has emerged as a powerful framework for multiscale materials modeling, enabling efficient and accurate prediction of material behavior across different length scales. Unlike conventional data-driven…

Computational Engineering, Finance, and Science · Computer Science 2026-03-23 Ting-Ju Wei , Wen-Ning Wan , Chuin-Shan Chen

Dynamical systems in the life sciences are often composed of complex mixtures of overlapping behavioral regimes. Cellular subpopulations may shift from cycling to equilibrium dynamics or branch towards different developmental fates. The…

Machine Learning · Computer Science 2025-10-13 Nathan Quiblier , Roy Friedman , Matthew Ricci

Physics-guided machine learning (PGML) has become a prevalent approach in studying scientific systems due to its ability to integrate scientific theories for enhancing machine learning (ML) models. However, most PGML approaches are tailored…

Machine Learning · Computer Science 2025-02-11 Runlong Yu , Chonghao Qiu , Robert Ladwig , Paul Hanson , Yiqun Xie , Xiaowei Jia

Substitution of well-grounded theoretical models by data-driven predictions is not as simple in engineering and sciences as it is in social and economic fields. Scientific problems suffer most times from paucity of data, while they may…

Machine Learning · Computer Science 2020-11-18 Jacobo Ayensa-Jiménez , Mohamed H. Doweidar , Jose Antonio Sanz-Herrera , Manuel Doblaré

Neural networks offer a versatile, flexible and accurate approach to loss reserving. However, such applications have focused primarily on the (important) problem of fitting accurate central estimates of the outstanding claims. In practice,…

Methodology · Statistics 2022-08-09 Muhammed Taher Al-Mudafer , Benjamin Avanzi , Greg Taylor , Bernard Wong

Forecasting conditional stochastic nonlinear dynamical systems is a fundamental challenge repeatedly encountered across the biological and physical sciences. While flow-based models can impressively predict the temporal evolution of…

Machine Learning · Computer Science 2025-04-02 Adam P. Generale , Andreas E. Robertson , Surya R. Kalidindi

Deep Material Network (DMN) has recently emerged as a data-driven surrogate model for heterogeneous materials. Given a particular microstructural morphology, the effective linear and nonlinear behaviors can be successfully approximated by…

Computational Engineering, Finance, and Science · Computer Science 2023-12-15 Tianyi Li

To fully understand, analyze, and determine the behavior of dynamical systems, it is crucial to identify their intrinsic modal coordinates. In nonlinear dynamical systems, this task is challenging as the modal transformation based on the…

Machine Learning · Computer Science 2025-03-13 Abdolvahhab Rostamijavanani , Shanwu Li , Yongchao Yang

The relentless pursuit of miniaturization and performance enhancement in electronic devices has led to a fundamental challenge in the field of circuit design and simulation: how to accurately account for the inherent stochastic nature of…

Machine Learning · Computer Science 2023-11-13 Jack Hutchins , Shamiul Alam , Dana S. Rampini , Bakhrom G. Oripov , Adam N. McCaughan , Ahmedullah Aziz

In this paper, we propose a probabilistic physics-guided framework, termed Physics-guided Deep Markov Model (PgDMM). The framework targets the inference of the characteristics and latent structure of nonlinear dynamical systems from…

Machine Learning · Computer Science 2022-05-26 Wei Liu , Zhilu Lai , Kiran Bacsa , Eleni Chatzi

In this paper, we address the problem of conditional modality learning, whereby one is interested in generating one modality given the other. While it is straightforward to learn a joint distribution over multiple modalities using a deep…

Computer Vision and Pattern Recognition · Computer Science 2016-08-29 Gaurav Pandey , Ambedkar Dukkipati

Modeling complex physical dynamics is a fundamental task in science and engineering. Traditional physics-based models are sample efficient, and interpretable but often rely on rigid assumptions. Furthermore, direct numerical approximation…

Machine Learning · Computer Science 2023-03-02 Rui Wang , Rose Yu

Multimodal Foundation Models (MMFMs) have demonstrated strong performance in both computer vision and natural language processing tasks. However, their performance diminishes in tasks that require a high degree of integration between these…

Computer Vision and Pattern Recognition · Computer Science 2025-02-06 Franz Louis Cesista

This study introduces a physics-based machine learning framework for modeling both brittle and ductile fractures. Unlike physics-informed neural networks, which solve partial differential equations by embedding physical laws as soft…

Numerical Analysis · Mathematics 2025-02-14 Fadi Aldakheel , Elsayed S. Elsayed , Yousef Heider , Oliver Weeger

Predicting multiple real-world tasks in a single model often requires a particularly diverse feature space. Multimodal (MM) models aim to extract the synergistic predictive potential of multiple data types to create a shared feature space…

Machine Learning · Computer Science 2023-11-07 Vinitra Swamy , Malika Satayeva , Jibril Frej , Thierry Bossy , Thijs Vogels , Martin Jaggi , Tanja Käser , Mary-Anne Hartley

There is a growing consensus that solutions to complex science and engineering problems require novel methodologies that are able to integrate traditional physics-based modeling approaches with state-of-the-art machine learning (ML)…

Computational Physics · Physics 2022-03-15 Jared Willard , Xiaowei Jia , Shaoming Xu , Michael Steinbach , Vipin Kumar

Machine learning has been increasingly applied in climate modeling on system emulation acceleration, data-driven parameter inference, forecasting, and knowledge discovery, addressing challenges such as physical consistency, multi-scale…

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied…

Machine Learning · Computer Science 2025-03-14 Jan-Hendrik Bastek , WaiChing Sun , Dennis M. Kochmann