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We demonstrate how deep convolutional neural networks can be trained to predict 2+1 D hydrodynamic simulation results for flow coefficients, mean-transverse-momentum and charged particle multiplicity from the initial energy density profile.…

High Energy Physics - Phenomenology · Physics 2024-04-04 H. Hirvonen , K. J. Eskola , H. Niemi

Medical imaging classifiers can achieve high predictive accuracy, but quantifying their uncertainty remains an unresolved challenge, which prevents their deployment in medical clinics. We present an algorithm that can modify any classifier…

Machine Learning · Computer Science 2024-08-12 Roy Hirsch , Jacob Goldberger

Controlling infectious diseases is a major health priority because they can spread and infect humans, thus evolving into epidemics or pandemics. Therefore, early detection of infectious diseases is a significant need, and many researchers…

Machine Learning · Computer Science 2022-06-16 Eman Yahia Alqaissi , Fahd Saleh Alotaibi , Muhammad Sher Ramzan

Artificial neural networks are trained by a standard backpropagation learning algorithm with regularization to model and predict the systematics of -decay of heavy and superheavy nuclei. This approach to regression is implemented in two…

Nuclear Theory · Physics 2019-10-29 Paulo S. A. Freitas , John W. Clark

Neutron cross section matrices for fission and scattering data are required for each material, temperature, and enrichment level to calculate the neutron transport equation accurately. This information can be a limiting factor when using…

Computational Physics · Physics 2022-05-12 Ben Whewell , Ryan G. McClarren

Motivation: Identifying the molecular pathways more prone to disruption during a pathological process is a key task in network medicine and, more in general, in systems biology. Results: In this work we propose a pipeline that couples a…

Deep learning has achieved remarkable success in learning representations for molecules, which is crucial for various biochemical applications, ranging from property prediction to drug design. However, training Deep Neural Networks (DNNs)…

Machine Learning · Computer Science 2023-04-28 Jun Xia , Yanqiao Zhu , Yuanqi Du , Stan Z. Li

Automation and high-throughput characterization and synthesis for material development are becoming increasingly common; these approaches require machine learning (ML) tools to assess material properties, ideally based on a single…

Materials Science · Physics 2025-12-17 Frank M. Abel , Paige Burke , Daniel Wines , Brian Donovan , Michelle E. Jamer , Kamal Choudhary

A proof-of-concept framework for identifying molecules of unknown elemental composition and structure using experimental rotational data and probabilistic deep learning is presented. Using a minimal set of input data determined…

Chemical Physics · Physics 2020-07-01 Michael C. McCarthy , Kin Long Kelvin Lee

$\alpha$-clustering structure is a significant topic in light nuclei. A Bayesian convolutional neural network (BCNN) is applied to classify initial non-clustered and clustered configurations, namely Woods-Saxon distribution and…

High Energy Physics - Phenomenology · Physics 2021-10-13 Junjie He , Wan-Bing He , Yu-Gang Ma , Song Zhang

Machine-learning potentials (MLPs) for atomistic simulations are a promising alternative to conventional classical potentials. Current approaches rely on descriptors of the local atomic environment with dimensions that increase…

Materials Science · Physics 2017-12-05 Nongnuch Artrith , Alexander Urban , Gerbrand Ceder

The International Atomic Energy Agency (IAEA) stopping power database is a highly valued public resource compiling most of the experimental measurements published over nearly a century. The database-accessible to the global scientific…

Atomic and Molecular Clusters · Physics 2022-12-16 F. Bivort Haiek , A. M. P. Mendez , C. C. Montanari , D. M. Mitnik

Particle track reconstruction is the most computationally intensive process in nuclear physics experiments. Traditional algorithms use a combinatorial approach that exhaustively tests track measurements ("hits") to identify those that form…

Computer Vision and Pattern Recognition · Computer Science 2022-04-29 Polykarpos Thomadakis , Angelos Angelopoulos , Gagik Gavalian , Nikos Chrisochoides

Deep neural networks provide flexible frameworks for learning data representations and functions relating data to other properties and are often claimed to achieve 'super-human' performance in inferring relationships between input data and…

Materials Science · Physics 2021-05-26 Keith T. Butler , Manh Duc Le , Jeyarajan Thiyagalingam , Toby G. Perring

Machine learning is applied to derive microscopically parameters of the interacting boson model for nuclear spectroscopy. A physics-guided neural network is proposed, which is trained to map the potential energy landscapes that are…

Nuclear Theory · Physics 2026-05-18 Y. Obata , K. Nomura

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML…

Chemical Physics · Physics 2025-02-04 Ming Han , Ge Sun , Juan J. de Pablo

Machine learning of atomic-scale properties is revolutionizing molecular modelling, making it possible to evaluate inter-atomic potentials with first-principles accuracy, at a fraction of the costs. The accuracy, speed and reliability of…

Computational Physics · Physics 2018-10-16 Giulio Imbalzano , Andrea Anelli , Daniele Giofr é , Sinja Klees , J örg Behler , Michele Ceriotti

A convolutional neural network-based classifier is elaborated to retrace the initial orientation of deformed nucleus-nucleus collisions by integrating multiple typical experimental observables. The isospin-dependent…

Nuclear Theory · Physics 2023-12-08 Zu-Xing Yang , Xiao-Hua Fan , Zhi-Pan Li , Shunji Nishimura

The limited availability of annotations in small molecule datasets presents a challenge to machine learning models. To address this, one common strategy is to collaborate with additional auxiliary datasets. However, having more data does…

Biomolecules · Quantitative Biology 2023-11-10 Tinglin Huang , Ziniu Hu , Rex Ying

Object segmentation and structure localization are important steps in automated image analysis pipelines for microscopy images. We present a convolution neural network (CNN) based deep learning architecture for segmentation of objects in…

Computer Vision and Pattern Recognition · Computer Science 2019-01-24 Shan E Ahmed Raza , Linda Cheung , Muhammad Shaban , Simon Graham , David Epstein , Stella Pelengaris , Michael Khan , Nasir M. Rajpoot