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Independently trained machine learning models tend to learn similar features. Given an ensemble of independently trained models, this results in correlated predictions and common failure modes. Previous attempts focusing on decorrelation of…

In numerous robotics and mechanical engineering applications, among others, data is often constrained on smooth manifolds due to the presence of rotational degrees of freedom. Common datadriven and learning-based methods such as neural…

Optimization and Control · Mathematics 2023-05-16 Karthik Elamvazhuthi , Xuechen Zhang , Samet Oymak , Fabio Pasqualetti

Establishing Lipschitz stability estimates is crucial for ensuring the mathematical robustness of neural network (NN) approximations in machine learning (ML)-based parameter estimation, particularly in physics-informed settings. In this…

Numerical Analysis · Mathematics 2025-11-25 Mahadevan Ganesh , Stuart C. Hawkins , Darko Volkov

Pretrained language models (LMs) are prone to arithmetic errors. Existing work showed limited success in probing numeric values from models' representations, indicating that these errors can be attributed to the inherent unreliability of…

Computation and Language · Computer Science 2025-10-27 Marek Kadlčík , Michal Štefánik , Timothee Mickus , Michal Spiegel , Josef Kuchař

Uncertainty estimation in machine learning has traditionally focused on the prediction stage, aiming to quantify confidence in model outputs while treating learned representations as deterministic and reliable by default. In this work, we…

Machine Learning · Statistics 2026-02-20 Yiyao Yang

This paper investigates whether sequence models can learn to perform numerical algorithms, e.g. gradient descent, on the fundamental problem of least squares. Our goal is to inherit two properties of standard algorithms from numerical…

Machine Learning · Computer Science 2025-03-18 Jerry Liu , Jessica Grogan , Owen Dugan , Ashish Rao , Simran Arora , Atri Rudra , Christopher Ré

Machine learning models of vastly different modalities and architectures are being trained to predict the behavior of molecules, materials, and proteins. However, it remains unclear whether they learn similar internal representations of…

Machine Learning · Computer Science 2025-12-04 Sathya Edamadaka , Soojung Yang , Ju Li , Rafael Gómez-Bombarelli

Quantum neural network architectures that have little-to-no inductive biases are known to face trainability and generalization issues. Inspired by a similar problem, recent breakthroughs in machine learning address this challenge by…

In this paper, we present a method of embedding physics data manifolds with metric structure into lower dimensional spaces with simpler metrics, such as Euclidean and Hyperbolic spaces. We then demonstrate that it can be a powerful step in…

High Energy Physics - Phenomenology · Physics 2023-08-02 Sang Eon Park , Philip Harris , Bryan Ostdiek

The ability to accurately predict the surrounding environment is a foundational principle of intelligence in biological and artificial agents. In recent years, a variety of approaches have been proposed for learning to predict the physical…

Computer Vision and Pattern Recognition · Computer Science 2019-08-01 Alberto Cenzato , Alberto Testolin , Marco Zorzi

We present an empirical study in the geometric task of learning interatomic potentials, which shows equivariance matters even more at larger scales; we show a clear power-law scaling behaviour with respect to data, parameters and compute…

Machine Learning · Computer Science 2026-05-06 Khang Ngo , Siamak Ravanbakhsh

We study how neural emulators of partial differential equation solution operators internalize physical symmetries by introducing an influence-based diagnostic that measures the propagation of parameter updates between symmetry-related…

Most machine learning techniques are based upon statistical learning theory, often simplified for the sake of computing speed. This paper is focused on the uncertainty aspect of mathematical modeling in machine learning. Regression analysis…

Machine Learning · Computer Science 2022-06-07 Valentin Arkov

Recent equivariant models have shown significant progress in not just chemical property prediction, but as surrogates for dynamical simulations of molecules and materials. Many of the top performing models in this category are built within…

Materials Science · Physics 2024-10-11 Kin Long Kelvin Lee , Mikhail Galkin , Santiago Miret

It is well-known that inverse dynamics models can improve tracking performance in robot control. These models need to precisely capture the robot dynamics, which consist of well-understood components, e.g., rigid body dynamics, and effects…

Robotics · Computer Science 2022-05-30 Moritz Reuss , Niels van Duijkeren , Robert Krug , Philipp Becker , Vaisakh Shaj , Gerhard Neumann

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…

The compressive learning framework reduces the computational cost of training on large-scale datasets. In a sketching phase, the data is first compressed to a lightweight sketch vector, obtained by mapping the data samples through a…

Machine Learning · Statistics 2022-04-20 Vincent Schellekens , Laurent Jacques

Models play an essential role in the design process of cyber-physical systems. They form the basis for simulation and analysis and help in identifying design problems as early as possible. However, the construction of models that comprise…

Precise magnetic field modeling is fundamental to the closed-loop control of electromagnetic navigation systems (eMNS) and the analytical Multipole Expansion Model (MPEM) is the current standard. However, the MPEM relies on strict physical…

Systems and Control · Electrical Eng. & Systems 2026-02-09 Antonio Bernardes , Jasan Zughaibi , Michael Muehlebach , Bradley J. Nelson

Neural networks can emulate nonlinear physical systems with high accuracy, yet they may produce physically-inconsistent results when violating fundamental constraints. Here, we introduce a systematic way of enforcing nonlinear analytic…

Computational Physics · Physics 2021-03-10 Tom Beucler , Michael Pritchard , Stephan Rasp , Jordan Ott , Pierre Baldi , Pierre Gentine