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We present a method to extrapolate nuclear binding energies from known values for neighbouring nuclei. We select four specific mass relations constructed to eliminate smooth variation of the binding energy as function nucleon numbers. The…

Nuclear Theory · Physics 2014-08-27 D. Hove , A. S. Jensen , K. Riisager

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

Mechanistic Interpretability (MI) promises a path toward fully understanding how neural networks make their predictions. Prior work demonstrates that even when trained to perform simple arithmetic, models can implement a variety of…

Machine Learning · Computer Science 2024-05-28 Ouail Kitouni , Niklas Nolte , Víctor Samuel Pérez-Díaz , Sokratis Trifinopoulos , Mike Williams

A well-known drawback of state-of-the-art machine-learning interatomic potentials is their poor ability to extrapolate beyond the training domain. For small-scale problems with tens to hundreds of atoms this can be solved by using active…

Computational Physics · Physics 2020-09-22 Max Hodapp , Alexander Shapeev

Neutrinoless double beta decay searches are currently among the major foci of experimental physics. The observation of such a decay will have important implications in our understanding of the intrinsic nature of neutrinos and shed light on…

Nuclear Theory · Physics 2020-12-15 L. Coraggio , N. Itaco , G. De Gregorio , A. Gargano , R. Mancino , S. Pastore

We introduce Nuclear Co-Learned Representations (NuCLR), a deep learning model that predicts various nuclear observables, including binding and decay energies, and nuclear charge radii. The model is trained using a multi-task approach with…

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

Recent advances in machine-learning interatomic potentials have enabled the efficient modeling of complex atomistic systems with an accuracy that is comparable to that of conventional quantum mechanics based methods. At the same time, the…

Materials Science · Physics 2021-05-06 April M. Miksch , Tobias Morawietz , Johannes Kästner , Alexander Urban , Nongnuch Artrith

The validation of a theory is commonly based on appealing to clearly distinguishable and describable features in properly reduced experimental data, while the use of ab-initio simulation for interpreting experimental data typically requires…

Plasma Physics · Physics 2018-12-18 A. Gonoskov , E. Wallin , A. Polovinkin , I. Meyerov

Nuclear segmentation is an important step for profiling aberrant regions of histology sections. However, segmentation is a complex problem as a result of variations in nuclear geometry (e.g., size, shape), nuclear type (e.g., epithelial,…

Computer Vision and Pattern Recognition · Computer Science 2018-02-16 Mina Khoshdeli , Bahram Parvin

Machine learning is becoming a new paradigm for scientific research in various research fields due to its exciting and powerful capability of modeling tools used for big-data processing task. In this mini-review, we first briefly introduce…

Nuclear Theory · Physics 2023-01-18 Wanbing He , Qingfeng Li , Yugang Ma , Zhongming Niu , Junchen Pei , Yingxun Zhang

Precision beta decay experiments serve as powerful probes of physics beyond the Standard Model, enabling stringent tests of fundamental symmetries of nature. In particular, these experiments primarily focus on precise determinations of the…

Nuclear Theory · Physics 2026-02-03 Grigor H. Sargsyan , Garrett B. King , Ayala Glick-Magid , Chien-Yeah Seng

Prediction of protein structures using computational approaches has been explored for over two decades, paving a way for more focused research and development of algorithms in comparative modelling, ab intio modelling and structure…

Quantitative Methods · Quantitative Biology 2020-05-19 Surbhi Dhingra , Ramanathan Sowdhamini , Frédéric Cadet , Bernard Offmann

One of the main challenges in modeling massive stars to the onset of core collapse is the computational bottleneck of nucleosynthesis during advanced burning stages. The number of isotopes formed requires solving a large set of…

Nuclear masses are machine-learned as a function of proton and neutron numbers. The neural network with additive Gaussian process regression-optimized activation functions (GPR-NN) method is employed for the first time for this purpose.…

Nuclear Theory · Physics 2025-09-11 H. X. Liu , S. Manzhos , X. H. Wu

We briefly summarize the kernel regression approach, as used recently in materials modelling, to fitting functions, particularly potential energy surfaces, and highlight how the linear algebra framework can be used to both predict and train…

Computational Physics · Physics 2019-02-05 Michele Ceriotti , Michael J. Willatt , Gábor Csányi

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

Born in the aftermath of core collapse supernovae, neutron stars contain matter under extraordinary conditions of density and temperature that are difficult to reproduce in the laboratory. In recent years, neutron star observations have…

Nuclear Theory · Physics 2021-05-27 C. Drischler , J. W. Holt , C. Wellenhofer

Precision tests of the Standard Model and searches for beyond the Standard Model physics often require nuclear structure input. There has been a tremendous progress in the development of nuclear ab initio techniques capable of providing…

Nuclear Theory · Physics 2022-01-05 Petr Navratil

The extrapolation of self-consistent nuclear mean-field models to the region of superheavy elements is discussed with emphasis on the extrapolating power of the models. The predictions of modern mean-field models are confronted with recent…

Nuclear Theory · Physics 2017-08-23 M. Bender
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