Cover Image

A General Approach for Determining Applicability Domain of Machine Learning Models

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Schultz, Lane E., Wang, Yiqi, Jacobs, Ryan, Morgan, Dane
Format:	Preprint
Published:	2024
Subjects:	Materials Science Other Condensed Matter Machine Learning
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Energy-GNoME: A Living Database of Selected Materials for Energy Applications
by: De Angelis, Paolo, et al.
Published: (2024)

Interpretable machine learning-guided design of Fe-based soft magnetic alloys
by: Nachnani, Aditi, et al.
Published: (2025)

From Atomistic Models to Machine Learning: Predictive Design of Nanocarbons under Extreme Conditions
by: Yan, Xiaoli, et al.
Published: (2026)

ARES-Phonon: Phonon Calculation Package using Nondiagonal Supercell Finite Displacement Method with Machine Learning
by: Wang, Qian, et al.
Published: (2025)

Hierarchical Crystal Structure Prediction of Zeolitic Imidazolate Frameworks Using DFT and Machine-Learned Interatomic Potentials
by: Xu, Yizhi, et al.
Published: (2026)

Domain-Direct Band Gaps: Classification and Material Realization
by: Wei, Yalan, et al.
Published: (2026)

Design and demonstration of a direct air capture system with moisture-driven CO2 delivery into aqueous medium
by: Flory, Justin, et al.
Published: (2025)

Simultaneous Measurement of Thermal Conductivity, Heat Capacity, and Interfacial Thermal Conductance by Leveraging Negative Delay-Time Data in Time-Domain Thermoreflectance
by: Zhang, Mingzhen, et al.
Published: (2024)

Revisiting the Extraction of Coupling Strength for Polaron Hopping from $ab~initio$ Approach
by: Houmsi, Hala, et al.
Published: (2025)

Spontaneous Partial Order Driven by Intermolecular Interactions -- Structure and Dynamics of Ice
by: Chen, Tianran, et al.
Published: (2025)

A Griffith description of fracture for non-monotonic loading with application to fatigue
by: Saha, Subhrangsu, et al.
Published: (2024)

Modelling hydrogen storage in metal hydrides
by: Font, Francesc, et al.
Published: (2025)

Engineering phase-frustration induced flat bands in an aza-triangulene covalent Kagome lattice
by: Yan, Yuyi, et al.
Published: (2025)

Molecular Dynamics Simulations of Anisotropic Particles Accelerated by Neural-Net Predicted Interactions
by: Argun, B. Rusen, et al.
Published: (2024)

Modeling Energy- and Momentum-dependent Scattering Relaxation Times in a Semi-Classical Model of Charge Transport using the Self-Scattering Technique
by: McDonough, H. A., et al.
Published: (2025)

Modelling crystallization: When the normal growth velocity depends on the supersaturation
by: Ivanov, V. V., et al.
Published: (2023)

Electrical Control of the Exchange Bias Effect at Model Ferromagnet-Altermagnet Junctions
by: De la Barrera, Gaspar, et al.
Published: (2025)

Polymer-based solid-state electrolytes for lithium sulfur batteries
by: T, Praveen Balaji, et al.
Published: (2025)

First-principles calculations of transport coefficients in Weyl semimetal TaAs
by: Allemand, Guillaume E., et al.
Published: (2025)

Tuned ionic mobility by Ultrafast-laser pulses in Black Silicon
by: Mebou, Christelle Inès K., et al.
Published: (2024)

Selective band engineering of Bi/Si(111) by boron segregation
by: Barre, E., et al.
Published: (2025)

Experimental investigation of Lord Kelvins isentropic cooling and heating expression in tensile bars for two engineering alloys
by: Burns, S. J., et al.
Published: (2023)

Ferroelectricity in undoped HfO2 down to one-unit-cell on Si substrate
by: Wang, Tiantian, et al.
Published: (2025)

Fermi Surface Reconstruction and Anisotropic Linear Magnetoresistance in the Charge Density Wave Topological Semimetal TaTe4
by: Silvera-Vega, D., et al.
Published: (2025)

Growth of bulk crystals of magnetic topological insulators under peritectic conditions
by: Sergeev, Anton I., et al.
Published: (2024)

Structural chirality and related properties in the periodic inorganic solids: Review and perspectives
by: Bousquet, Eric, et al.
Published: (2024)

The influence of the phase and structural state on the low-temperature elastic properties of molybdenum-alloyed non-equiatomic high-entropy alloys of the Fe-Co-Ni-Cr system
by: Semerenko, Y., et al.
Published: (2024)

Engineering magnetism in hybrid organic-inorganic metal halide perovskites
by: Asensio, Yaiza, et al.
Published: (2026)

Cryogenic stabilization of molecular hydrogen in dense cubic ice
by: Poręba, Tomasz, et al.
Published: (2026)

Revealing the nontrivial topological surface states of catalysts for effective photochemical carbon dioxide conversion
by: Wang, Kangwang, et al.
Published: (2024)

In-situ operation of amorphous circuits under heavy-ion irradiation
by: Sha, Xuanzhe, et al.
Published: (2026)

Surface ferrimagnetic order in RuO2 film
by: Lu, Jiahua, et al.
Published: (2026)

A Pathway to Efficient Simulations of Charge Density Waves in Transition Metal Dichalcogenides: A Case Study for TiSe2
by: Yin, Li, et al.
Published: (2024)

Spin dynamics of excitons and carriers in mixed-cation MA$_{x}$FA$_{1-x}$PbI$_{3}$ perovskite crystals: alloy fluctuations probed by optical orientation
by: Gribakin, B. F., et al.
Published: (2026)

Abundant surface-semimetal phases in three-dimensional obstructed atomic insulators
by: Ding, Xianyong, et al.
Published: (2023)

A Rapid-prototyping CMOS-RRAM Integration Strategy
by: Tsiamis, Andreas, et al.
Published: (2025)

Charge transfer induced cubic gauche nitrogen from azides
by: Ye, Tingting, et al.
Published: (2024)

A First-Principles Tool to Discover New Pyrometallurgical Refining Options
by: Van Setten, Michiel J., et al.
Published: (2024)

Efficient photocatalytic CO2 Reduction to C2+ Products with Pt1-xPdxSn4 Dirac Nodal Arc Semimetal
by: Wang, Kangwang, et al.
Published: (2026)

Confined acoustic phonons in CsPbI3 nanocrystals explored by resonant Raman scattering on excitons
by: Harkort, Carolin, et al.
Published: (2025)