Imagen de Portada

A Comprehensive Benchmarking Platform for Deep Generative Models in Molecular Design

Fuente: arXiv

Guardado en:

Detalles Bibliográficos
Autor principal:	Singh, Adarsh
Formato:	Preprint
Publicado:	2025
Materias:	Atomic Physics Machine Learning
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

Data-Efficient Machine Learning Potentials via Difference Vectors Based on Local Atomic Environments
por: Shao, Xuqiang, et al.
Publicado: (2025)

Soft Checksums to Flag Untrustworthy Machine Learning Surrogate Predictions and Application to Atomic Physics Simulations
por: Lauer, Casey, et al.
Publicado: (2024)

Review and experimental benchmarking of machine learning algorithms for efficient optimization of cold atom experiments
por: Anton, Oliver, et al.
Publicado: (2023)

Teaching Molecular Dynamics to a Non-Autoregressive Ionic Transport Predictor
por: Kim, Jiyeon, et al.
Publicado: (2026)

Learning spatially structured open quantum dynamics with regional-attention transformers
por: Du, Dounan, et al.
Publicado: (2025)

Pulse Shape Discrimination Algorithms: Survey and Benchmark
por: Liu, Haoran, et al.
Publicado: (2025)

Ubiquitous Symmetry at Critical Points Across Diverse Optimization Landscapes
por: Schneider, Irmi
Publicado: (2025)

Accelerating Atomic Fine Structure Determination with Graph Reinforcement Learning
por: Ding, M., et al.
Publicado: (2025)

Predictions of charge density distributions for nuclei with $Z \geq 8$
por: Wang, Yun Dong, et al.
Publicado: (2026)

Can machine learning for quantum-gas experiments be explainable?
por: Zwolak, I. B. Spielman amd J. P.
Publicado: (2026)

How Far Can You Grow? Characterizing the Extrapolation Frontier of Graph Generative Models for Materials Science
por: Polat, Can, et al.
Publicado: (2026)

A Comprehensive Study on A Tapered Paul Trap: From Design to Potential Applications
por: Deng, Bo, et al.
Publicado: (2024)

Towards Complex Dynamic Physics System Simulation with Graph Neural ODEs
por: Shi, Guangsi, et al.
Publicado: (2023)

Structure to Property: Chemical Element Embeddings and a Deep Learning Approach for Accurate Prediction of Chemical Properties
por: Shermukhamedov, Shokirbek, et al.
Publicado: (2023)

Precision Spectroscopy of Fast, Hot Exotic Isotopes Using Machine Learning Assisted Event-by-Event Doppler Correction
por: Udrescu, Silviu-Marian, et al.
Publicado: (2023)

Inducing And Probing Charge Migration In Molecular Systems
por: Giri, Sucharita
Publicado: (2025)

Accurate Determination of Blackbody Radiation Shifts in a Strontium Molecular Lattice Clock
por: Iritani, B., et al.
Publicado: (2023)

Optical Nanofiber Testbeds for Benchmarking Membrane-Waveguide Photonic Integrated Circuit Platforms toward On-Chip Quantum Inertial Sensing
por: Orozco, Adrian, et al.
Publicado: (2023)

A large language model-type architecture for high-dimensional molecular potential energy surfaces
por: Zhu, Xiao, et al.
Publicado: (2024)

SCULPT: An Interactive Machine Learning Platform for Analyzing Multi-Particle Coincidence Data from Cold Target Recoil Ion Momentum Spectroscopy
por: Daoud, Hazem, et al.
Publicado: (2025)

Molecular Quantum Control Algorithm Design by Reinforcement Learning
por: Pipi, Anastasia, et al.
Publicado: (2024)

Attosecond Delays in X-ray Molecular Ionization
por: Driver, Taran, et al.
Publicado: (2024)

Enhanced Loading of a Molecular Magneto-Optical Trap
por: Youssef, Ebram, et al.
Publicado: (2026)

Molecular excited state in the interaction quench dynamics of two different atoms in a two-dimensional anisotropic trap
por: Ishmukhamedov, I. S., et al.
Publicado: (2025)

Molecular influence on nuclear-quadrupole-coupling effects in laser induced alignment
por: Thesing, Linda V., et al.
Publicado: (2024)

Comprehensive Molecular Representation from Equivariant Transformer
por: Tao, Nianze, et al.
Publicado: (2023)

Dielectronic recombination studies on Fe$^{2+}$
por: Singh, S., et al.
Publicado: (2025)

Extreme Loss Suppression and Wide Tunability of Dipolar Interactions in an Ultracold Molecular Gas
por: Yuan, Weijun, et al.
Publicado: (2025)

Comprehensive peak-width analysis in matter-wave diffraction under grazing incidence conditions
por: Kim, Lee Yeong, et al.
Publicado: (2023)

A Multi-Purpose Platform for Analog Quantum Simulation
por: Jin, Shuwei, et al.
Publicado: (2023)

Molecular effects in low-energy muon transfer from muonic hydrogen to oxygen
por: Boradjiev, I., et al.
Publicado: (2026)

Pseudoatom Molecular Dynamics Plasma Microfields
por: White, J. R., et al.
Publicado: (2024)

Adiabatic and post-adiabatic hyperspherical treatment of the huge ungerade proton-hydrogen scattering length
por: Singh, Shayamal, et al.
Publicado: (2023)

Bremsstrahlung induced atomic processes
por: Singh, Shashank, et al.
Publicado: (2025)

Efficient Exploration of Chemical Kinetics
por: Goswami, Rohit
Publicado: (2025)

Characterizing High-Capacity Janus Aminobenzene-Graphene Anode for Sodium-Ion Batteries with Machine Learning
por: Islas-Vargas, Claudia, et al.
Publicado: (2026)

Non-equilibrium Molecular Dynamics Study of Surface Wettability Effects on Pool Boiling of Water over Nanoscale Aluminum Substrate
por: Sotoudeh, Farhad, et al.
Publicado: (2025)

Comprehensive calculations of energy levels, radiative transition parameters, hyperfine structure constants A$_J$-B$_J$, Landé g$_J$ factors and isotope shifts for Sc XX
por: Rathi, Shikha, et al.
Publicado: (2022)

Molecular dynamics with time dependent quantum Monte Carlo
por: Christov, Ivan P.
Publicado: (2025)

Engineered Molecular Clock Transitions for Symmetry Violation Searches
por: Takahashi, Yuiki, et al.
Publicado: (2025)