相关论文: NuCLR: Nuclear Co-Learned Representations

We introduce a representation of any atom in any chemical environment for the generation of efficient quantum machine learning (QML) models of common electronic ground-state properties. The representation is based on scaled distribution…

This paper gives an extended model of the atomic nucleus - we call it the YY model, which allows a new description for strong forces from the well-known Standard Model. The forces that hold the nucleus together (protons and neutrons) can be…

Many analyses in particle and nuclear physics use simulations to infer fundamental, effective, or phenomenological parameters of the underlying physics models. When the inference is performed with unfolded cross sections, the observables…

Kernel-based subspace clustering, which addresses the nonlinear structures in data, is an evolving area of research. Despite noteworthy progressions, prevailing methodologies predominantly grapple with limitations relating to (i) the…

Introduction Theory of electromagnetic excitation and dissociation (Inelastic scattering at high energies: one-photon exchange, semiclassical approach and Glauber theory; Higher order electromagnetic effects, small xi-approximation)…

Graph kernels are kernel methods measuring graph similarity and serve as a standard tool for graph classification. However, the use of kernel methods for node classification, which is a related problem to graph representation learning, is…

One of the most significant challenges involved in efforts to understand the equation of state of dense neutron-rich matter is the uncertain density dependence of the nuclear symmetry energy. Because of its broad impact, pinning down the…

Simulating interactions between non-spherical colloidal particles is computationally challenging due to the complex dependency of forces and energies on their geometry. We introduce and evaluate both descriptor-based and end-to-end models…

Grid decarbonization for climate change requires dispatchable carbon-free energy like nuclear fusion. The tokamak concept offers a promising path for fusion, but one of the foremost challenges in implementation is the occurrence of…

Molecular Representation Learning (MRL) has emerged as a powerful tool for drug and materials discovery in a variety of tasks such as virtual screening and inverse design. While there has been a surge of interest in advancing model-centric…

Model calculations of nuclear properties are peformed using quantum computing algorithms on simulated and real quantum computers. The models are a realistic calculation of deuteron binding based on effective field theory, and a simplified…

Neural Networks (NNs) are effective models for refining the accuracy of molecular dynamics, opening up new fields of application. Typically trained bottom-up, atomistic NN potential models can reach first-principle accuracy, while…

The H\"uckel Hamiltonian is an incredibly simple tight-binding model famed for its ability to capture qualitative physics phenomena arising from electron interactions in molecules and materials. Part of its simplicity arises from using only…

In recent years, machine learning has emerged as a powerful computational tool and novel problem-solving perspective for physics, offering new avenues for studying strongly interacting QCD matter properties under extreme conditions. This…

The prevailing graph neural network models have achieved significant progress in graph representation learning. However, in this paper, we uncover an ever-overlooked phenomenon: the pre-trained graph representation learning model tested…

The relationship between the physical characteristics of the radiation field and biological damage is central to both radiotherapy and radioprotection, yet the link between spatial scales of energy deposition and biological effects remains…

Molecular property prediction refers to the task of labeling molecules with some biochemical properties, playing a pivotal role in the drug discovery and design process. Recently, with the advancement of machine learning, deep…

We introduce Consistent Assignment for Representation Learning (CARL), an unsupervised learning method to learn visual representations by combining ideas from self-supervised contrastive learning and deep clustering. By viewing contrastive…

Probing properties of neutron stars from photometric observations of these objects helps us answer crucial questions at the forefront of multi-messenger astronomy, such as, what is behavior of highest density matter in extreme environments…

Transfer learning refers to the use of knowledge gained while solving a machine learning task and applying it to the solution of a closely related problem. Such an approach has enabled scientific breakthroughs in computer vision and natural…