:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Author:	Goswami, Rohit
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics Machine Learning Software Engineering Atomic Physics Data Analysis, Statistics and Probability
Online Access:	https://arxiv.org/abs/2510.21368
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Forecasting steam mass flow in power plants using the parallel hybrid network
by: Kurkin, Andrii, et al.
Published: (2023)

Alloy Informatics through Ab Initio Charge Density Profiles: Case Study of Hydrogen Effects in Face-Centered Cubic Crystals
by: Massa, Dario, et al.
Published: (2023)

Active Causal Learning for Decoding Chemical Complexities with Targeted Interventions
by: Fox, Zachary R., et al.
Published: (2024)

Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks
by: Müller, Charlotte H., et al.
Published: (2024)

Density Estimation via Binless Multidimensional Integration
by: Carli, Matteo, et al.
Published: (2024)

Calibration in Machine Learning Uncertainty Quantification: beyond consistency to target adaptivity
by: Pernot, Pascal
Published: (2023)

Scalable learning of potentials to predict time-dependent Hartree-Fock dynamics
by: Bhat, Harish S., et al.
Published: (2024)

Active Deep Kernel Learning of Molecular Properties: Realizing Dynamic Structural Embeddings
by: Ghosh, Ayana, et al.
Published: (2024)

Coarse-graining conformational dynamics with multi-dimensional generalized Langevin equation: how, when, and why
by: Xie, Pinchen, et al.
Published: (2024)

Bayesian Multistate Bennett Acceptance Ratio Methods
by: Ding, Xinqiang
Published: (2023)

The Nested_fit data analysis program
by: Trassinelli, Martino
Published: (2019)

Quantum Computing Dataset of Maximum Independent Set Problem on King's Lattice of over Hundred Rydberg Atoms
by: Kim, Kangheun, et al.
Published: (2023)

Adaptive, symmetry-informed Bayesian metrology for precise quantum technology measurements
by: Overton, Matt, et al.
Published: (2024)

Bridging Visual Intuition and Chemical Expertise: An Autonomous Analysis Framework for Nonadiabatic Dynamics Simulations via Mentor-Engineer-Student Collaboration
by: Zhu, Yifei, et al.
Published: (2025)

Energy Time Ptychography for one-dimensional phase retrieval
by: Negi, Ankita, et al.
Published: (2025)

Covariance Analysis of Impulsive Streaking
by: Wang, Jun, et al.
Published: (2024)

Electron Ptychography Reveals Correlated Lattice Vibrations at Atomic Resolution
by: Gladyshev, Anton, et al.
Published: (2023)

NEAR: A Training-Free Pre-Estimator of Machine Learning Model Performance
by: Husistein, Raphael T., et al.
Published: (2024)

Farthest Point Sampling in Property Designated Chemical Feature Space as a General Strategy for Enhancing the Machine Learning Model Performance for Small Scale Chemical Dataset
by: Liu, Yuze, et al.
Published: (2024)

Estimating complete basis set extrapolation error through random walk
by: Lang, Jakub, et al.
Published: (2025)

Sparse Infrared Spectroscopy for Detection of Volatile Organic Compounds
by: Welner, Mira, et al.
Published: (2025)

Augmenting chemical databases for atomistic machine learning by sampling conformational space
by: Vazquez-Salazar, Luis Itza, et al.
Published: (2025)

Structural Descriptors and Information Extraction from X-ray Emission Spectra: Aqueous Sulfuric Acid
by: Eronen, E. A., et al.
Published: (2024)

Confidence Interval and Uncertainty Propagation Analysis of SAFT-type Equations of State
by: Walker, Pierre J., et al.
Published: (2023)

Characterizing Reaction Route Map of Realistic Molecular Reactions based on Weight Rank Clique Filtration of Persistent Homology
by: Murayama, Burai, et al.
Published: (2022)

Application of the Digital Annealer Unit in Optimizing Chemical Reaction Conditions for Enhanced Production Yields
by: Li, Shih-Cheng, et al.
Published: (2024)

Nearest neighbor permutation entropy detects phase transitions in complex high-pressure systems
by: Pessa, Arthur A. B., et al.
Published: (2025)

Exact fluctuation relation for open systems beyond the Jarzynski equality
by: Rahbar, Mohammad, et al.
Published: (2025)

Encoder-Decoder Neural Networks in Interpretation of X-ray Spectra
by: Passilahti, Jalmari, et al.
Published: (2024)

Automated Preparation of Nanoscopic Structures: Graph-Based Sequence Analysis, Mismatch Detection, and pH-Consistent Protonation with Uncertainty Estimates
by: Csizi, Katja-Sophia, et al.
Published: (2023)

Adaptive hybrid density functionals
by: Khan, Danish, et al.
Published: (2024)

Solving Crystal Structures by Carrying Out the Calculation of the Single-Atom R1 Method in a Lottery Mode
by: Zhang, Xiaodong
Published: (2024)

Solving intractable chemical problems by tensor decomposition
by: Glaser, Nina, et al.
Published: (2024)

Automatic Forward Model Parameterization with Bayesian Inference of Conformational Populations
by: Raddi, Robert M., et al.
Published: (2024)

Accelerating Plasmonic Hydrogen Sensors for Inert Gas Environments by Transformer-Based Deep Learning
by: Martvall, Viktor, et al.
Published: (2023)

Network analysis with quantum dynamics clarifies why photosystem II exploits both chlorophyll a and b
by: Kim, Eunchul, et al.
Published: (2021)

Hamiltonian replica exchange augmented with diffusion-based generative models and importance sampling to assess biomolecular conformational basins and barriers
by: Benayad, Zakarya, et al.
Published: (2025)

Accurate estimates of dynamical statistics using memory
by: Lorpaiboon, Chatipat, et al.
Published: (2023)

Improved precision and accuracy of electron energy-loss spectroscopy quantification via fine structure fitting with constrained optimization
by: Jannis, Daen, et al.
Published: (2024)

Bayesian data analysis tools for atomic physics
by: Trassinelli, Martino
Published: (2016)