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In this paper, we present a machine learning-based data generator framework tailored to aid researchers who utilize simulations to examine various physical systems or processes. High computational costs and the resulting limited data often…

Machine Learning · Computer Science 2023-05-17 Sabber Ahamed , Md Mesbah Uddin

One might think that, once we know something is computable, how efficiently it can be computed is a practical question with little further philosophical importance. In this essay, I offer a detailed case that one would be wrong. In…

Computational Complexity · Computer Science 2024-05-11 Scott Aaronson

We consider learning a predictive model to be subsequently used for a given downstream task (described by an algorithm) that requires access to the model evaluation. This task need not be prediction, and this situation is frequently…

Machine Learning · Computer Science 2025-06-05 Jianyuan Yin , Qianxiao Li

We review, for a general audience, a variety of recent experiments on extracting structure from machine-learning mathematical data that have been compiled over the years. Focusing on supervised machine-learning on labeled data from…

Machine Learning · Computer Science 2021-04-09 Yang-Hui He

Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…

Materials Science · Physics 2020-05-06 Conrad W. Rosenbrock , Eric R. Homer , Gábor Csányi , Gus L. W. Hart

A measure called Physical Complexity is established and calculated for a population of sequences, based on statistical physics, automata theory, and information theory. It is a measure of the quantity of information in an organism's genome.…

Biological Physics · Physics 2011-12-02 Gerard Briscoe , Philippe De Wilde

The widespread adoption of machine learning surrogate models has significantly improved the scale and complexity of systems and processes that can be explored accurately and efficiently using atomistic modeling. However, the inherently…

Chemical Physics · Physics 2025-03-13 Federico Grasselli , Sanggyu Chong , Venkat Kapil , Silvia Bonfanti , Kevin Rossi

Efficiently characterising quantum systems, verifying operations of quantum devices and validating underpinning physical models, are central challenges for the development of quantum technologies and for our continued understanding of…

While concepts and tools from Theoretical Computer Science are regularly applied to, and significantly support, software development for discrete problems, Numerical Engineering largely employs recipes and methods whose correctness and…

Computational Complexity · Computer Science 2018-01-23 Akitoshi Kawamura , Martin Ziegler

The widespread application of machine learning (ML) to the chemical sciences is making it very important to understand how the ML models learn to correlate chemical structures with their properties, and what can be done to improve the…

We define the complexity of a continuous-time linear system to be the minimum number of bits required to describe its forward increments to a desired level of fidelity, and compute this quantity using the rate distortion function of a…

Systems and Control · Electrical Eng. & Systems 2023-06-06 Eric Wendel , John Baillieul , Joseph Hollmann

We develop, discuss, and compare several inference techniques to constrain theory parameters in collider experiments. By harnessing the latent-space structure of particle physics processes, we extract extra information from the simulator.…

High Energy Physics - Phenomenology · Physics 2018-09-19 Johann Brehmer , Kyle Cranmer , Gilles Louppe , Juan Pavez

Optical-model potentials (OMPs) are critical ingredients for basic and applied nuclear physics. Present-day computational capabilities allow us to generate data-driven nucleon-nucleus OMPs that are non-local and exactly dispersive (as…

Nuclear astrophysics is a multi-disciplinary field with a huge demand for nuclear data. Among its various fields, stellar evolution and nucleosynthesis are clearly the most closely related to nuclear physics. The need for nuclear data for…

Nuclear Theory · Physics 2022-12-06 S. Goriely , A. Choplin , W. Ryssens , I. Kullmann

Depending on the point of view, modern machine learning is either providing an unprecedented boost to the numerical methods of particle physics, or it is transforming the way we do science with vast amounts of complex data. In any case, it…

High Energy Physics - Phenomenology · Physics 2025-04-25 Tilman Plehn , Anja Butter , Barry Dillon , Theo Heimel , Claudius Krause , Ramon Winterhalder

The goal of Science is to understand phenomena and systems in order to predict their development and gain control over them. In the scientific process of knowledge elaboration, a crucial role is played by models which, in the language of…

Statistical Mechanics · Physics 2018-10-25 Marco Baldovin , Fabio Cecconi , Massimo Cencini , Andrea Puglisi , Angelo Vulpiani

This document introduces basics in data preparation, feature selection and learning basics for high energy physics tasks. The emphasis is on feature selection by principal component analysis, information gain and significance measures for…

Data Analysis, Statistics and Probability · Physics 2008-03-18 Anselm Vossen

When training data is sparse, more domain knowledge must be incorporated into the learning algorithm in order to reduce the effective size of the hypothesis space. This paper builds on previous work in which knowledge about qualitative…

Machine Learning · Computer Science 2012-07-09 Eric E. Altendorf , Angelo C. Restificar , Thomas G. Dietterich

Existing decision-theoretic reasoning frameworks such as decision networks use simple data structures and processes. However, decisions are often made based on complex data structures, such as social networks and protein sequences, and rich…

Artificial Intelligence · Computer Science 2014-07-14 Brian E. Ruttenberg , Avi Pfeffer

Bottom-up coarse-grained molecular dynamics models are parameterized using complex effective Hamiltonians. These models are typically optimized to approximate high dimensional data from atomistic simulations. In contrast, human validation…

Chemical Physics · Physics 2021-09-16 Aleksander Evren Paetzold Durumeric , Gregory A. Voth