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Machine learning (ML) techniques have recently enabled enormous gains in sensitivity to new phenomena across the sciences. In particle physics, much of this progress has relied on excellent simulations of a wide range of physical processes.…

Data Analysis, Statistics and Probability · Physics 2025-10-20 Malte Algren , Tobias Golling , Francesco Armando Di Bello , Christopher Pollard

Modern applications of machine learning (ML) deal with increasingly heterogeneous datasets comprised of data collected from overlapping latent subpopulations. As a result, traditional models trained over large datasets may fail to recognize…

Machine Learning · Statistics 2019-10-16 Benjamin Lengerich , Bryon Aragam , Eric P. Xing

Linear temporal logic (LTL) is a specification language for finite sequences (called traces) widely used in program verification, motion planning in robotics, process mining, and many other areas. We consider the problem of learning LTL…

Artificial Intelligence · Computer Science 2026-01-22 Ritam Raha , Rajarshi Roy , Nathanaël Fijalkow , Daniel Neider

The focus of this book is on the analysis of regularization methods for solving \emph{nonlinear inverse problems}. Specifically, we place a strong emphasis on techniques that incorporate supervised or unsupervised data derived from prior…

Optimization and Control · Mathematics 2025-06-24 Clemens Kirisits , Bochra Mejri , Sergei Pereverzev , Otmar Scherzer , Cong Shi

Fast and accurate treatment of collisions in the context of modern N-body planet formation simulations remains a challenging task due to inherently complex collision processes. We aim to tackle this problem with machine learning (ML), in…

Earth and Planetary Astrophysics · Physics 2022-10-26 Philip M. Winter , Christoph Burger , Sebastian Lehner , Johannes Kofler , Thomas I. Maindl , Christoph M. Schäfer

This paper presents an approach to trajectory-centric learning control based on contraction metrics and disturbance estimation for nonlinear systems subject to matched uncertainties. The approach uses deep neural networks to learn uncertain…

Systems and Control · Electrical Eng. & Systems 2024-07-25 Pan Zhao , Ziyao Guo , Yikun Cheng , Aditya Gahlawat , Hyungsoo Kang , Naira Hovakimyan

First principles based exploration of chemical space deepens our understanding of chemistry, and might help with the design of new materials or experiments. Due to the computational cost of quantum chemistry methods and the immens number of…

Chemical Physics · Physics 2020-08-18 Bing Huang , O. Anatole von Lilienfeld

The reconstruction of the trajectories of charged particles, or track reconstruction, is a key computational challenge for particle and nuclear physics experiments. While the tuning of track reconstruction algorithms can depend strongly on…

This article addresses the problem of multi-object tracking by using a non-deterministic model of target behaviors with hard constraints. To capture the evolution of target features as well as their locations, we permit objects to lie in a…

Dynamical Systems · Mathematics 2024-01-23 Michael Robinson , Michael Stein , Henry S. Owen

We delve into the physics-informed neural reconstruction of smoke and obstacles through sparse-view RGB videos, tackling challenges arising from limited observation of complex dynamics. Existing physics-informed neural networks often…

Computer Vision and Pattern Recognition · Computer Science 2024-07-16 Yiming Wang , Siyu Tang , Mengyu Chu

Single-particle tracking (SPT) has become a popular tool to study the intracellular transport of molecules in living cells. Inferring the character of their dynamics is important, because it determines the organization and functions of the…

Quantitative Methods · Quantitative Biology 2020-09-09 Joanna Janczura , Patrycja Kowalek , Hanna Loch-Olszewska , Janusz Szwabiński , Aleksander Weron

Machine learning (ML) is shown to predict new alloys and their performances in a high dimensional, multiple-target-property design space that considers chemistry, multi-step processing routes, and characterization methodology variations. A…

Materials Science · Physics 2020-10-12 Sen Liu , Branden B. Kappes , Behnam Amin-ahmadi , Othmane Benafan , Xiaoli Zhang , Aaron P. Stebner

Pattern recognition algorithms are commonly employed to simplify the challenging and necessary step of track reconstruction in sub-atomic physics experiments. Aiding in the discrimination of relevant interactions, pattern recognition seeks…

Quantum Physics · Physics 2021-07-14 Gregory Quiroz , Lauren Ice , Andrea Delgado , Travis S. Humble

We introduce Masked Trajectory Models (MTM) as a generic abstraction for sequential decision making. MTM takes a trajectory, such as a state-action sequence, and aims to reconstruct the trajectory conditioned on random subsets of the same…

Machine Learning · Computer Science 2023-05-05 Philipp Wu , Arjun Majumdar , Kevin Stone , Yixin Lin , Igor Mordatch , Pieter Abbeel , Aravind Rajeswaran

Machine learning (ML) is rapidly transforming the way molecular dynamics simulations are performed and analyzed, from materials modeling to studies of protein folding and function. ML algorithms are often employed to learn low-dimensional…

Soft Condensed Matter · Physics 2025-09-23 Jayashrita Debnath , Gerhard Hummer

The reconstruction of particle tracks from hits in tracking detectors is a computationally intensive task due to the large combinatorics of detector signals. Recent efforts have proven that ML techniques can be successfully applied to the…

High Energy Physics - Experiment · Physics 2024-11-19 Nathalie Soybelman , Carlo Schiavi , Francesco A. Di Bello , Eilam Gross

Knowledge Tracing (KT) models students' knowledge states based on learning interactions to predict performance. While deep learning-based KT models have boosted predictive accuracy, most models rely on deterministic vector embeddings and…

Artificial Intelligence · Computer Science 2026-05-12 Siyu Wu , Cong Xu , Wei Zhang

Large Language Models (LLMs) are unable to reliably reason about specific physical systems. Attempts to imbue LLMs with knowledge of the necessary physics concepts have shown great promise, but explainability and validation remain open…

Artificial Intelligence · Computer Science 2026-05-22 Sean Memery , Kartic Subr

Partially observable environments present a considerable computational challenge in reinforcement learning due to the need to consider long histories. Learning with a finite window of observations quickly becomes intractable as the window…

Machine Learning · Computer Science 2025-06-04 Onno Eberhard , Michael Muehlebach , Claire Vernade

The paper discusses multistep nonlinear model-predictive control (NMPC) schemes for the tracking of a car model along a given reference track. In particular we will compare the numerical performance and robustness of classic single step…

Optimization and Control · Mathematics 2018-09-05 Matthias Gerdts