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Given access to accurate solutions of the many-electron Schr\"odinger equation, nearly all chemistry could be derived from first principles. Exact wavefunctions of interesting chemical systems are out of reach because they are NP-hard to…

Chemical Physics · Physics 2021-03-26 David Pfau , James S. Spencer , Alexander G. de G. Matthews , W. M. C. Foulkes

In recent years, several successful applications of the Artificial Neural Networks (ANNs) have emerged in nuclear physics and high-energy physics, as well as in biology, chemistry, meteorology, and other fields of science. A major goal of…

A long-standing goal of nuclear theory is to explain how the structure and dynamics of atomic nuclei and neutron-star matter emerge from the underlying interactions among protons and neutrons. Achieving this goal requires solving the…

Deep learning techniques have opened a new venue for electronic structure theory in recent years. In contrast to traditional methods, deep neural networks provide much more expressive and flexible wave function ansatz, resulting in better…

Chemical Physics · Physics 2021-09-08 Xiang Li , Cunwei Fan , Weiluo Ren , Ji Chen

Machine learning and specifically deep-learning methods have outperformed human capabilities in many pattern recognition and data processing problems, in game playing, and now also play an increasingly important role in scientific…

Artificial neural networks have been successfully incorporated into variational Monte Carlo method (VMC) to study quantum many-body systems. However, there have been few systematic studies of exploring quantum many-body physics using deep…

Strongly Correlated Electrons · Physics 2020-02-26 Li Yang , Zhaoqi Leng , Guangyuan Yu , Ankit Patel , Wen-Jun Hu , Han Pu

We perform an exploratory study of a new approach for evaluating Feynman integrals numerically. We apply the recently-proposed framework of physics-informed deep learning to train neural networks to approximate the solution to the…

High Energy Physics - Phenomenology · Physics 2024-07-24 Francesco Calisto , Ryan Moodie , Simone Zoia

Machine learning techniques have proven to be effective in addressing the structure of atomic nuclei. Physics$-$Informed Neural Networks (PINNs) are a promising machine learning technique suitable for solving integro-differential problems…

Computational Physics · Physics 2026-02-13 Lorenzo Brevi , Antonio Mandarino , Carlo Barbieri , Enrico Prati

In the wake of the growing popularity of machine learning in particle physics, this work finds a new application of geometric deep learning on Feynman diagrams to make accurate and fast matrix element predictions with the potential to be…

Computational Physics · Physics 2022-11-29 Harrison Mitchell , Alexander Norcliffe , Pietro Liò

Over the past years, machine learning has emerged as a powerful computational tool to tackle complex problems over a broad range of scientific disciplines. In particular, artificial neural networks have been successfully deployed to…

Quantum Physics · Physics 2021-01-28 Juan Carrasquilla , Giacomo Torlai

The complexity of many-body quantum wave functions is a central aspect of several fields of physics and chemistry where non-perturbative interactions are prominent. Artificial neural networks (ANNs) have proven to be a flexible tool to…

Nuclear Theory · Physics 2021-07-14 Corey Adams , Giuseppe Carleo , Alessandro Lovato , Noemi Rocco

Solving the intricate quantum behavior of interacting particles is key to unlocking the mysteries of condensed matter, but capturing their complex correlations across different scales remains a monumental challenge. We introduce a neural…

Deep learning has led to a paradigm shift in artificial intelligence, including web, text and image search, speech recognition, as well as bioinformatics, with growing impact in chemical physics. Machine learning in general and deep…

Many phenomena in physics, including light, water waves, and sound, are described by wave equations. Given their coefficients, wave equations can be solved to high accuracy, but the presence of the wavelength scale often leads to large…

Computational Physics · Physics 2025-02-19 Timo Gahlmann , Philippe Tassin

We use tensor network techniques to obtain high order perturbative diagrammatic expansions for the quantum many-body problem at very high precision. The approach is based on a tensor train parsimonious representation of the sum of all…

Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical…

Chemical Physics · Physics 2019-06-25 K. T. Schütt , M. Gastegger , A. Tkatchenko , K. -R. Müller , R. J. Maurer

The study of structure-spectrum relationships is essential for spectral interpretation, impacting structural elucidation and material design. Predicting spectra from molecular structures is challenging due to their complex relationships.…

Computational Physics · Physics 2024-08-29 Fanjie Xu , Wentao Guo , Feng Wang , Lin Yao , Hongshuai Wang , Fujie Tang , Zhifeng Gao , Linfeng Zhang , Weinan E , Zhong-Qun Tian , Jun Cheng

Classical artificial neural networks have witnessed widespread successes in machine-learning applications. Here, we propose fermion neural networks (FNNs) whose physical properties, such as local density of states or conditional…

Quantum Physics · Physics 2023-10-04 Pei-Lin Zheng , Jia-Bao Wang , Yi Zhang

Learning from data has led to paradigm shifts in a multitude of disciplines, including web, text, and image search, speech recognition, as well as bioinformatics. Can machine learning enable similar breakthroughs in understanding quantum…

We generalize the hidden-fermion family of neural network quantum states to encompass both continuous and discrete degrees of freedom and solve the nuclear many-body Schr\"odinger equation in a systematically improvable fashion. We…

Nuclear Theory · Physics 2022-06-22 A. Lovato , C. Adams , G. Carleo , N. Rocco
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