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Machine learning (ML) can facilitate efficient thermoelectric (TE) material discovery essential to address the environmental crisis. However, ML models often suffer from poor experimental generalizability despite high metrics. This study…

Materials Science · Physics 2026-02-03 Shoeb Athar , Adrien Mecibah , Philippe Jund

Surrogate model can replace the parametric full-order model (FOM) by an approximation model, which can significantly improve the efficiency of optimization design and reduce the complexity of engineering systems. However, due to limitations…

Fluid Dynamics · Physics 2025-03-18 Xu Wang , Ruiqi Huang , Jiaqing Kou , Hui Tang , Weiwei Zhang

Symbolic regression is a powerful tool for discovering governing equations directly from data, but its sensitivity to noise hinders its broader application. This paper introduces a Sequential Monte Carlo (SMC) framework for Bayesian…

Machine Learning · Computer Science 2025-12-12 Geoffrey F. Bomarito , Patrick E. Leser

The ``black-box'' nature of deep learning models presents a significant barrier to their adoption for scientific discovery, where interpretability is paramount. This challenge is especially pronounced in discovering the governing equations…

Machine Learning · Computer Science 2025-08-26 Riccardo Cappi , Paolo Frazzetto , Nicolò Navarin , Alessandro Sperduti

Understanding the decision-making processes of large language models is critical given their widespread applications. To achieve this, we aim to connect a formal mathematical framework - zigzag persistence from topological data analysis -…

Computation and Language · Computer Science 2025-06-16 Yuri Gardinazzi , Karthik Viswanathan , Giada Panerai , Alessio Ansuini , Alberto Cazzaniga , Matteo Biagetti

Feature selection is a critical component in predictive analytics that significantly affects the prediction accuracy and interpretability of models. Intrinsic methods for feature selection are built directly into model learning, providing a…

Machine Learning · Computer Science 2024-03-19 Theodor Stoecker , Nico Hambauer , Patrick Zschech , Mathias Kraus

Identifying meaningful signal buried in noise is a problem of interest arising in diverse scenarios of data-driven modeling. We present here a theoretical framework for exploiting intrinsic geometry in data that resists noise corruption,…

Machine Learning · Statistics 2018-01-26 Ishanu Chattopadhyay

This article presents an approach for modelling hysteresis in piezoelectric materials, that leverages recent advancements in machine learning, particularly in sparse-regression techniques. While sparse regression has previously been used to…

Machine Learning · Computer Science 2023-05-23 Abhishek Chandra , Bram Daniels , Mitrofan Curti , Koen Tiels , Elena A. Lomonova , Daniel M. Tartakovsky

The statistics of the diffusive motion of particles often serve as an experimental proxy for their interaction with the environment. However, inferring the physical properties from the observed trajectories is challenging. Inspired by a…

Soft Condensed Matter · Physics 2024-05-29 Amit Federbush , Amit Moscovich , Yohai Bar-Sinai

In this article we detail the use of machine learning for spatiotemporally dynamic turbulence model classification and hybridization for the large eddy simulations (LES) of turbulence. Our predictive framework is devised around the…

Fluid Dynamics · Physics 2019-05-15 Romit Maulik , Omer San , Jamey D. Jacob , Christopher Crick

Generative graph models struggle to scale due to the need to predict the existence or type of edges between all node pairs. To address the resulting quadratic complexity, existing scalable models often impose restrictive assumptions such as…

Machine Learning · Computer Science 2024-05-24 Yiming Qin , Clement Vignac , Pascal Frossard

We consider the problem of making nonparametric inference in a class of multi-dimensional diffusions in divergence form, from low-frequency data. Statistical analysis in this setting is notoriously challenging due to the intractability of…

Methodology · Statistics 2025-01-23 Matteo Giordano , Sven Wang

Understanding physical phenomena oftentimes means understanding the underlying dynamical system that governs observational measurements. While accurate prediction can be achieved with black box systems, they often lack interpretability and…

Machine Learning · Computer Science 2021-07-16 Juliane Weilbach , Sebastian Gerwinn , Christian Weilbach , Melih Kandemir

This work presents a data-driven approach to the identification of spatial and temporal truncation errors for linear and nonlinear discretization schemes of Partial Differential Equations (PDEs). Motivated by the central role of truncation…

Numerical Analysis · Computer Science 2019-09-04 Stephan Thaler , Ludger Paehler , Nikolaus A. Adams

We present a statistical learning framework for robust identification of partial differential equations from noisy spatiotemporal data. Extending previous sparse regression approaches for inferring PDE models from simulated data, we address…

Numerical Analysis · Mathematics 2019-07-19 Suryanarayana Maddu , Bevan L. Cheeseman , Ivo F. Sbalzarini , Christian L. Müller

Neural networks offer highly expressive turbulence closures, yet their complexity obscures the physical mechanisms they aim to model, and their computational cost can limit their tractability. To address these limitations, we introduce a…

Fluid Dynamics · Physics 2026-04-29 Samantha Friess , Aviral Prakash , John A. Evans

Symbolic regression is a technique that can automatically derive analytic models from data. Traditionally, symbolic regression has been implemented primarily through genetic programming that evolves populations of candidate solutions…

Neural and Evolutionary Computing · Computer Science 2025-04-24 Jiří Kubalík , Robert Babuška

Reconstructing PDE solutions from sparse observations is a core challenge in scientific computing. We present FM4PDE, a flow-matching generative framework that learns the joint distribution of PDE coefficients (or initial states) and…

Machine Learning · Statistics 2026-05-26 Xifeng Zhang , Jin Zhao

We propose Deep Hierarchical Machine (DHM), a model inspired from the divide-and-conquer strategy while emphasizing representation learning ability and flexibility. A stochastic routing framework as used by recent deep neural…

Computer Vision and Pattern Recognition · Computer Science 2018-12-04 Shichao Li , Xin Yang , Tim Cheng

Feature identification is an important task in many fluid dynamics applications and diverse methods have been developed for this purpose. These methods are based on a physical understanding of the underlying behavior of the flow in the…

Fluid Dynamics · Physics 2019-01-07 Carlos Michelén Ströfer , Jinlong Wu , Heng Xiao , Eric Paterson
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