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Scientific machine learning (SciML) increasingly requires models that capture multimodal conditional uncertainty arising from ill-posed inverse problems, multistability, and chaotic dynamics. While recent work has favored highly expressive…

Machine Learning · Computer Science 2026-02-03 Leonardo Ferreira Guilhoto , Akshat Kaushal , Paris Perdikaris

Deep generative models have recently been applied to physical systems governed by partial differential equations (PDEs), offering scalable simulation and uncertainty-aware inference. However, enforcing physical constraints, such as…

Machine Learning · Computer Science 2025-11-27 Utkarsh Utkarsh , Pengfei Cai , Alan Edelman , Rafael Gomez-Bombarelli , Christopher Vincent Rackauckas

Machine learning (ML) has emerged into formidable force for identifying hidden but pertinent patterns within a given data set with the objective of subsequent generation of automated predictive behavior. In the recent years, it is safe to…

In an era increasingly focused on green computing and explainable AI, revisiting traditional approaches in theoretical and phenomenological particle physics is paramount. This project evaluates various machine learning (ML)…

High Energy Physics - Phenomenology · Physics 2025-04-30 Vasileios Vatellis

Machine learning (ML) models for predicting gas permeability through polymers have traditionally relied on experimental data. While these models exhibit robustness within familiar chemical domains, reliability wanes when applied to new…

Materials Science · Physics 2024-06-24 Brandon K. Phan , Kuan-Hsuan Shen , Rishi Gurnani , Huan Tran , Ryan Lively , Rampi Ramprasad

In control design most control strategies are model-based and require accurate models to be applied successfully. Due to simplifications and the model-reality-gap physics-derived models frequently exhibit deviations from real-world-systems.…

Optimization and Control · Mathematics 2022-08-09 Ricarda-Samantha Götte , Julia Timmermann

Evaluating the scientific discovery capabilities of large language model based agents, particularly how they cope with varying environmental complexity and utilize prior knowledge, requires specialized benchmarks currently lacking in the…

Machine Learning · Computer Science 2025-10-28 Yimeng Chen , Piotr Piȩkos , Mateusz Ostaszewski , Firas Laakom , Jürgen Schmidhuber

This tutorial paper focuses on safe physics-informed machine learning in the context of dynamics and control, providing a comprehensive overview of how to integrate physical models and safety guarantees. As machine learning techniques…

Systems and Control · Electrical Eng. & Systems 2025-06-16 Jan Drgona , Truong X. Nghiem , Thomas Beckers , Mahyar Fazlyab , Enrique Mallada , Colin Jones , Draguna Vrabie , Steven L. Brunton , Rolf Findeisen

This study investigates different Scientific Machine Learning (SciML) approaches for the analysis of functionally graded (FG) porous beams and compares them under a new framework. The beam material properties are assumed to vary as an…

Machine Learning · Computer Science 2024-12-25 Mohammad Sadegh Eshaghi , Mostafa Bamdad , Cosmin Anitescu , Yizheng Wang , Xiaoying Zhuang , Timon Rabczuk

Machine learning (ML) has been playing important roles in drug discovery in the past years by providing (pre-)screening tools for prioritising chemical compounds to pass through wet lab experiments. One of the main ML tasks in drug…

Biomolecules · Quantitative Biology 2025-02-25 Alex G. C. de Sá , David B. Ascher

This survey examines the broad suite of methods and models for combining machine learning with physics knowledge for prediction and forecast, with a focus on partial differential equations. These methods have attracted significant interest…

The recent trend towards Personalized Federated Learning (PFL) has garnered significant attention as it allows for the training of models that are tailored to each client while maintaining data privacy. However, current PFL techniques…

Machine Learning · Computer Science 2023-05-03 Yue Wu , Shuaicheng Zhang , Wenchao Yu , Yanchi Liu , Quanquan Gu , Dawei Zhou , Haifeng Chen , Wei Cheng

Machine learning methods have been remarkably successful in material science, providing novel scientific insights, guiding future laboratory experiments, and accelerating materials discovery. Despite the promising performance of these…

Machine Learning · Computer Science 2024-11-04 Sichao Li , Xin Wang , Amanda Barnard

This paper explores the recent advancements in enhancing Computational Fluid Dynamics (CFD) tasks through Machine Learning (ML) techniques. We begin by introducing fundamental concepts, traditional methods, and benchmark datasets, then…

By leveraging neural networks, the emerging field of scientific machine learning (SciML) offers novel approaches to address complex problems governed by partial differential equations (PDEs). In practical applications, challenges arise due…

Machine Learning · Computer Science 2024-10-18 Handi Zhang , Langchen Liu , Lu Lu

In recent years, the increasing threat of devastating wildfires has underscored the need for effective prescribed fire management. Process-based computer simulations have traditionally been employed to plan prescribed fires for wildfire…

Machine-learned (ML) coarse-grained (CG) models are a promising tool for significantly enhancing the efficiency of molecular simulations by systematically removing degrees of freedom while retaining fidelity to the underlying fine-grained…

Chemical Physics · Physics 2026-02-27 Patrick G. Sahrmann , Benjamin T. Nebgen , Kipton Barros , Brenden W. Hamilton

Physics-inspired Generative Models (GMs), in particular Diffusion Models (DMs) and Poisson Flow Models (PFMs), enhance Bayesian methods and promise great utility in medical imaging. This review examines the transformative role of such…

Image and Video Processing · Electrical Eng. & Systems 2024-08-26 Dennis Hein , Afshin Bozorgpour , Dorit Merhof , Ge Wang

This paper is aimed at using the newly developing field of physics informed machine learning (PIML) to develop models for predicting the remaining useful lifetime (RUL) aircraft engines. We consider the well-known benchmark NASA Commercial…

Machine Learning · Computer Science 2024-06-25 Sriram Nagaraj , Truman Hickok

Modelling complex physical systems through partial differential equations (PDEs) is central to many disciplines in science and engineering. Yet in most real applications, unknown or incomplete relationships such as constitutive or thermal…

Computational Engineering, Finance, and Science · Computer Science 2026-01-08 Ado Farsi , Nacime Bouziani , David A Ham