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Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…

Chemical Physics · Physics 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

Machine learning (ML) of quantum mechanical properties shows promise for accelerating chemical discovery. For transition metal chemistry where accurate calculations are computationally costly and available training data sets are small, the…

Materials Science · Physics 2017-11-07 Jon Paul Janet , Heather J. Kulik

Models with Conditional Moment Restrictions (CMRs) are popular in economics. These models involve finite and infinite dimensional parameters. The infinite dimensional components include conditional expectations, conditional choice…

Econometrics · Economics 2024-11-01 Facundo Argañaraz , Juan Carlos Escanciano

Gender-based crime is one of the most concerning scourges of contemporary society. Governments worldwide have invested lots of economic and human resources to radically eliminate this threat. Despite these efforts, providing accurate…

Computers and Society · Computer Science 2024-10-28 Ángel González-Prieto , Antonio Brú , Juan Carlos Nuño , José Luis González-Álvarez

Machine learning has emerged as an invaluable tool in many research areas. In the present work, we harness this power to predict highly accurate molecular infrared spectra with unprecedented computational efficiency. To account for…

Chemical Physics · Physics 2021-03-16 Michael Gastegger , Jörg Behler , Philipp Marquetand

In high energy density physics (HEDP) and inertial confinement fusion (ICF), predictive modeling is complicated by uncertainty in parameters that characterize various aspects of the modeled system, such as those characterizing material…

Accurate electrical load forecasting is crucial for optimizing power system operations, planning, and management. As power systems become increasingly complex, traditional forecasting methods may fail to capture the intricate patterns and…

Systems and Control · Electrical Eng. & Systems 2024-11-26 Elias Raffoul , Mingjian Tuo , Cunzhi Zhao , Tianxia Zhao , Meng Ling , Xingpeng Li

Machine learning (ML) approaches enable large-scale atomistic simulations with near-quantum-mechanical accuracy. With the growing availability of these methods there arises a need for careful validation, particularly for physically agnostic…

Chemical Physics · Physics 2023-06-06 Joe D. Morrow , John L. A. Gardner , Volker L. Deringer

Accurate cyclone forecasting is essential for minimizing loss of life, infrastructure damage, and economic disruption. Traditional numerical weather prediction models, though effective, are computationally intensive and prone to error due…

Machine Learning · Computer Science 2025-09-30 Ethan Zachary Lo , Dan Chie-Tien Lo

For many decades, experimental solid mechanics has played a crucial role in characterizing and understanding the mechanical properties of natural and novel materials. Recent advances in machine learning (ML) provide new opportunities for…

Machine Learning · Computer Science 2023-09-07 Hanxun Jin , Enrui Zhang , Horacio D. Espinosa

Current climate models often struggle with accuracy because they lack sufficient resolution, a limitation caused by computational constraints. This reduces the precision of weather forecasts and long-term climate predictions. To address…

Atmospheric and Oceanic Physics · Physics 2024-10-03 Adib Bazgir , Yuwen Zhang

Machine learning (ML) is a promising approach for performing challenging quantum-information tasks such as device characterization, calibration and control. ML models can train directly on the data produced by a quantum device while…

We explore machine learning-based jet and event identification at the future Electron-Ion Collider (EIC). We study the effectiveness of machine learning-based classifiers at relatively low EIC energies, focusing on (i) identifying the…

High Energy Physics - Phenomenology · Physics 2023-04-05 Kyle Lee , James Mulligan , Mateusz Płoskoń , Felix Ringer , Feng Yuan

Systems with different interactions could develop the same critical behaviour due to the underlying symmetry and universality. Using this principle of universality, we can embed critical correlations modeled on the 3D Ising model into the…

Nuclear Theory · Physics 2022-03-11 Yige Huang , Long-Gang Pang , Xiaofeng Luo , Xin-Nian Wang

Accurate and computationally-viable representations of clouds and turbulence are a long-standing challenge for climate model development. Traditional parameterizations that crudely but efficiently approximate these processes are a leading…

Atmospheric and Oceanic Physics · Physics 2024-01-05 Jerry Lin , Mohamed Aziz Bhouri , Tom Beucler , Sungduk Yu , Michael Pritchard

In this work we present a new physics-informed machine learning model that can be used to analyze kinematic data from an instrumented mouthguard and detect impacts to the head. Monitoring player impacts is vitally important to understanding…

Computational Engineering, Finance, and Science · Computer Science 2022-03-21 Samuel J. Raymond , Nicholas J. Cecchi , Hossein Vahid Alizadeh , Ashlyn A. Callan , Eli Rice , Yuzhe Liu , Zhou Zhou , Michael Zeineh , David B. Camarillo

Machine Learning (ML)-based force fields are attracting ever-increasing interest due to their capacity to span spatiotemporal scales of classical interatomic potentials at quantum-level accuracy. They can be trained based on high-fidelity…

Chemical Physics · Physics 2024-06-03 Sebastien Röcken , Julija Zavadlav

The Matrix Element Method (MEM) is a powerful method to extract information from measured events at collider experiments. Compared to multivariate techniques built on large sets of experimental data, the MEM does not rely on an…

High Energy Physics - Experiment · Physics 2021-04-07 Florian Bury , Christophe Delaere

We present results for long term and intermediate term prediction algorithms applied to a simple mechanical model of a fault. We use long term prediction methods based, for example, on the distribution of repeat times between large events…

chao-dyn · Physics 2015-06-24 S. L. Pepke , J. M. Carlson , B. E. Shaw