Cover Image

An information-matching approach to optimal experimental design and active learning

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Kurniawan, Yonatan, Neilsen, Tracianne B., Francis, Benjamin L., Stankovic, Alex M., Wen, Mingjian, Nikiforov, Ilia, Tadmor, Ellad B., Bulatov, Vasily V., Lordi, Vincenzo, Transtrum, Mark K.
Format:	Preprint
Published:	2024
Subjects:	Machine Learning Materials Science Applied Physics Computational Physics Data Analysis, Statistics and Probability
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Composable and adaptive design of machine learning interatomic potentials guided by Fisher-information analysis
by: Wang, Weishi, et al.
Published: (2025)

Comparative study of ensemble-based uncertainty quantification methods for neural network interatomic potentials
by: Kurniawan, Yonatan, et al.
Published: (2025)

Extending OpenKIM with an Uncertainty Quantification Toolkit for Molecular Modeling
by: Kurniawan, Yonatan, et al.
Published: (2022)

Cross-scale covariance for material property prediction
by: Jasperson, Benjamin A., et al.
Published: (2024)

A KIM-compliant potfit for fitting sloppy interatomic potentials: Application to the EDIP model for silicon
by: Wen, Mingjian, et al.
Published: (2016)

Local Order Average-Atom Interatomic Potentials
by: Zeller, Chloe A., et al.
Published: (2025)

PropMolFlow: Property-Guided Molecule Generation with Geometry-Complete Flow Matching
by: Zeng, Cheng, et al.
Published: (2025)

KLIFF: A framework to develop physics-based and machine learning interatomic potentials
by: Wen, Mingjian, et al.
Published: (2021)

Fundamental Microscopic Properties as Predictors of Large-Scale Quantities of Interest: Validation through Grain Boundary Energy Trends
by: Jasperson, Benjamin A., et al.
Published: (2024)

Score dynamics: scaling molecular dynamics with picoseconds timestep via conditional diffusion model
by: Hsu, Tim, et al.
Published: (2023)

Statistical mechanics of a 2D material in a gas reservoir
by: Choi, Moon-ki, et al.
Published: (2026)

Model-free quantification of completeness, uncertainties, and outliers in atomistic machine learning using information theory
by: Schwalbe-Koda, Daniel, et al.
Published: (2024)

All that structure matches does not glitter
by: Martirossyan, Maya M., et al.
Published: (2025)

Field-Dependent Qubit Flux Noise Simulated from Materials-Specific Disordered Exchange Interactions Between Paramagnetic Adsorbates
by: Ray, Keith G., et al.
Published: (2026)

A path-finding algorithm for computing minimal-weight-matching centrosymmetry parameter
by: Pisarev, Vasily V.
Published: (2026)

Performance optimization of continuous variable quantum teleportation with generalized photon-varying non-Gaussian operations
by: He, Mingjian, et al.
Published: (2024)

A Time-Dependent Ginzburg-Landau Framework for Sample-Specific Simulation of Superconductors for SRF Applications
by: Harbick, Aiden V., et al.
Published: (2024)

Multi-objective Bayesian optimization for design of Pareto-optimal current drive profiles in STEP
by: Brown, Theodore, et al.
Published: (2023)

Fine-Tuning Language Models on Multiple Datasets for Citation Intention Classification
by: Shui, Zeren, et al.
Published: (2024)

Stokes flow in an electronic fluid with odd viscosity
by: Messica, Yonatan, et al.
Published: (2025)

Dissipative Phase Transition in a Parametrically Amplified Quantum Rabi Model with Two-photon decay
by: Zhu, Mingjian, et al.
Published: (2026)

An optimal design problem for a charge qubit
by: Mazzoleni, Dario, et al.
Published: (2024)

Hall Coulomb drag induced by electron-electron skew scattering
by: Messica, Yonatan, et al.
Published: (2024)

Stellarator divertor design by optimizing coils for surfaces with sharp corners
by: Elder, Todd, et al.
Published: (2025)

Quantum error mitigation by hierarchy-informed sampling: chiral dynamics in the Schwinger model
by: Saporiti, Theo, et al.
Published: (2026)

Robust Negativity in the Quantum-to-Classical Transition of Kerr Dynamics
by: Raza, Mohsin, et al.
Published: (2026)

Satisfiability of commutative vs. non-commutative CSPs
by: Bulatov, Andrei A., et al.
Published: (2024)

Variational Loop Vertex Expansion
by: Sazonov, Vasily
Published: (2023)

A Computational Picture of Hydride Formation and Dissipation In Nb SRF Cavities
by: Harbick, Aiden, et al.
Published: (2025)

Low-rank optimal control of quantum devices
by: Goutte, Leo, et al.
Published: (2025)

Quantum permutation puzzles with indistinguishable particles
by: Lordi, Noah, et al.
Published: (2024)

Entanglement-assisted variational algorithm for discrete optimization problems
by: Fioroni, Lorenzo, et al.
Published: (2025)

Quantum and classical approaches to the optimization of highway platooning: the two-vehicle matching problem
by: Onah, Chinonso, et al.
Published: (2026)

Optimized matching conditions for self-guided laser wakefield accelerators
by: Valenta, P., et al.
Published: (2025)

Noise constraints on sensitivity scaling in super-Heisenberg quantum metrology
by: Lordi, Noah, et al.
Published: (2025)

Integrated Experiment and Simulation Co-Design: A Key Infrastructure for Predictive Mesoscale Materials Modeling
by: Joshi, Shailendra P., et al.
Published: (2025)

Unitary designs in nearly optimal depth
by: Cui, Laura, et al.
Published: (2025)

An efficient evolutionary structural optimization method for multi-resolution designs
by: Wang, Hongxin, et al.
Published: (2019)

Learning optimal integration of spatial and temporal information in noisy chemotaxis
by: Alonso, Albert, et al.
Published: (2023)

Light-Matter Hybridization and Entanglement from the First-Principles
by: Mazin, Ilia, et al.
Published: (2024)