When Active Learning Fails, Uncalibrated Out of Distribution Uncertainty Quantification Might Be the Problem
Fuente:
arXiv
Saved in:
| Main Authors: | Dale, Ashley S., Li, Kangming, DeCost, Brian, Wan, Hao, Han, Yuchen, Fehlis, Yao, Hattrick-Simpers, Jason |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Efficient first principles based modeling via machine learning: from simple representations to high entropy materials
by: Li, Kangming, et al.
Published: (2024)
by: Li, Kangming, et al.
Published: (2024)
Evaluating the Performance and Robustness of LLMs in Materials Science Q&A and Property Predictions
by: Wang, Hongchen, et al.
Published: (2024)
by: Wang, Hongchen, et al.
Published: (2024)
Probing out-of-distribution generalization in machine learning for materials
by: Li, Kangming, et al.
Published: (2024)
by: Li, Kangming, et al.
Published: (2024)
Exploring the Limitations of kNN Noisy Feature Detection and Recovery for Self-Driving Labs
by: Shi, Qiuyu, et al.
Published: (2025)
by: Shi, Qiuyu, et al.
Published: (2025)
Training-Free Active Learning Framework in Materials Science with Large Language Models
by: Wang, Hongchen, et al.
Published: (2025)
by: Wang, Hongchen, et al.
Published: (2025)
Building Trustworthy AI for Materials Discovery: From Autonomous Laboratories to Z-scores
by: Amirian, Benhour, et al.
Published: (2025)
by: Amirian, Benhour, et al.
Published: (2025)
Materials Acceleration Platform for Electrochemistry: a Platform for Autonomous Electrochemistry
by: Persaud, Daniel, et al.
Published: (2026)
by: Persaud, Daniel, et al.
Published: (2026)
LLM4Mat-Bench: Benchmarking Large Language Models for Materials Property Prediction
by: Rubungo, Andre Niyongabo, et al.
Published: (2024)
by: Rubungo, Andre Niyongabo, et al.
Published: (2024)
Bridging Atomistic Simulation and Experimental Processing Timescales with Goal-Directed Deep Reinforcement Learning
by: Jeong, Wonseok, et al.
Published: (2026)
by: Jeong, Wonseok, et al.
Published: (2026)
Building informative materials datasets beyond targeted objectives
by: Castañeda, Rafael Espinosa, et al.
Published: (2026)
by: Castañeda, Rafael Espinosa, et al.
Published: (2026)
Learning material synthesis-process-structure-property relationship by data fusion: Bayesian Coregionalization N-Dimensional Piecewise Function Learning
by: Kusne, A. Gilad, et al.
Published: (2023)
by: Kusne, A. Gilad, et al.
Published: (2023)
Reproducibility in Computational Materials Science: Lessons from 'A General-Purpose Machine Learning Framework for Predicting Properties of Inorganic Materials'
by: Persaud, Daniel, et al.
Published: (2023)
by: Persaud, Daniel, et al.
Published: (2023)
Kernel Learning Assisted Synthesis Condition Exploration for Ternary Spinel
by: Liu, Yutong, et al.
Published: (2025)
by: Liu, Yutong, et al.
Published: (2025)
An Assessment of Commonly Used Equivalent Circuit Models for Corrosion Analysis: A Bayesian Approach to Electrochemical Impedance Spectroscopy
by: Zhang, Runze, et al.
Published: (2024)
by: Zhang, Runze, et al.
Published: (2024)
An experimental high-throughput to high-fidelity study towards discovering Al-Cr containing corrosion-resistant compositionally complex alloys
by: Sur, Debashish, et al.
Published: (2023)
by: Sur, Debashish, et al.
Published: (2023)
Uncovering Bottlenecks and Optimizing Scientific Lab Workflows with Cycle Time Reduction Agents
by: Fehlis, Yao
Published: (2025)
by: Fehlis, Yao
Published: (2025)
Human-AI Synergy in Adaptive Active Learning for Continuous Lithium Carbonate Crystallization Optimization
by: Masouleh, Shayan S. Mousavi, et al.
Published: (2025)
by: Masouleh, Shayan S. Mousavi, et al.
Published: (2025)
Autonomous Sampling and SHAP Interpretation of Deposition-Rates in Bipolar HiPIMS
by: Wieczorek, Alexander, et al.
Published: (2026)
by: Wieczorek, Alexander, et al.
Published: (2026)
Intrinsic Direct Air Capture
by: McDannald, Austin, et al.
Published: (2025)
by: McDannald, Austin, et al.
Published: (2025)
High-Tc superconductor candidates proposed by machine learning
by: Lee, Siwoo, et al.
Published: (2024)
by: Lee, Siwoo, et al.
Published: (2024)
High-throughput validation of phase formability and simulation accuracy of Cantor alloys
by: Cheng, Changjun, et al.
Published: (2025)
by: Cheng, Changjun, et al.
Published: (2025)
When Right Makes Might
by: Stacie, Goddard
Published: (2019)
by: Stacie, Goddard
Published: (2019)
Deep Out-of-Distribution Uncertainty Quantification via Weight Entropy Maximization
by: de Mathelin, Antoine, et al.
Published: (2023)
by: de Mathelin, Antoine, et al.
Published: (2023)
Leveraging Domain Adaptation for Accurate Machine Learning Predictions of New Halide Perovskites
by: Gupta, Dipannoy Das, et al.
Published: (2024)
by: Gupta, Dipannoy Das, et al.
Published: (2024)
Digital generation of the 3-D pore architecture of isotropic membranes using 2-D cross-sectional scanning electron microscopy images
by: Danalou, Sima Zeinali, et al.
Published: (2025)
by: Danalou, Sima Zeinali, et al.
Published: (2025)
Accurate and efficient predictions of keyhole dynamics in laser materials processing using machine learning-aided simulations
by: Zhang, Jiahui, et al.
Published: (2024)
by: Zhang, Jiahui, et al.
Published: (2024)
The Illusion of Certainty: Uncertainty Quantification for LLMs Fails under Ambiguity
by: Tomov, Tim, et al.
Published: (2025)
by: Tomov, Tim, et al.
Published: (2025)
Assessment of different loss functions for fitting equivalent circuit models to electrochemical impedance spectroscopy data
by: Jaberi, Ali, et al.
Published: (2025)
by: Jaberi, Ali, et al.
Published: (2025)
When a Difference Might Be a Disparity
by: Jasmine L. Travers, et al.
Published: (2025)
by: Jasmine L. Travers, et al.
Published: (2025)
A Proximal Gradient Framework for Composite Multiobjective Optimization on Riemannian Manifolds
by: Chen, Kangming
Published: (2026)
by: Chen, Kangming
Published: (2026)
AutoREC: A software platform for developing reinforcement learning agents for equivalent circuit model generation from electrochemical impedance spectroscopy data
by: Jaberi, Ali, et al.
Published: (2026)
by: Jaberi, Ali, et al.
Published: (2026)
Artificial Intelligence-Enabled Optimization of Battery-Grade Lithium Carbonate Production
by: Masouleh, S. Shayan Mousavi, et al.
Published: (2024)
by: Masouleh, S. Shayan Mousavi, et al.
Published: (2024)
Data supporting the results in the AutoREC paper
by: Kurniawan, Yonatan, et al.
Published: (2026)
by: Kurniawan, Yonatan, et al.
Published: (2026)
GCPO: When Contrast Fails, Go Gold
by: Wu, Hao, et al.
Published: (2025)
by: Wu, Hao, et al.
Published: (2025)
Uncertainty of Network Topology with Applications to Out-of-Distribution Detection
by: Yeh, Sing-Yuan, et al.
Published: (2025)
by: Yeh, Sing-Yuan, et al.
Published: (2025)
SepsisLab: Early Sepsis Prediction with Uncertainty Quantification and Active Sensing
by: Yin, Changchang, et al.
Published: (2024)
by: Yin, Changchang, et al.
Published: (2024)
ARTICULAÇÃO DE STAKEHOLDERS E ESTRATÉGIAS NO SETOR TURÍSTICO BRASILEIRO: UMA INVESTIGAÇÃO EM LOCALIDADES
by: Benny Kramer Cost
Published: (2016)
by: Benny Kramer Cost
Published: (2016)
Conselhos de Empresa Europeus militantes? Obstáculos, acordos e boas práticas à luz da experiência portuguesa na VW
by: Hermes Augusto Cost
Published: (2017)
by: Hermes Augusto Cost
Published: (2017)
Distributional Uncertainty for Out-of-Distribution Detection
by: Kim, JinYoung, et al.
Published: (2025)
by: Kim, JinYoung, et al.
Published: (2025)
When the Air Turns Toxic, So Might Our Behavior
by: Vạc Hoa
Published: (2025)
by: Vạc Hoa
Published: (2025)
Similar Items
-
Efficient first principles based modeling via machine learning: from simple representations to high entropy materials
by: Li, Kangming, et al.
Published: (2024) -
Evaluating the Performance and Robustness of LLMs in Materials Science Q&A and Property Predictions
by: Wang, Hongchen, et al.
Published: (2024) -
Probing out-of-distribution generalization in machine learning for materials
by: Li, Kangming, et al.
Published: (2024) -
Exploring the Limitations of kNN Noisy Feature Detection and Recovery for Self-Driving Labs
by: Shi, Qiuyu, et al.
Published: (2025) -
Training-Free Active Learning Framework in Materials Science with Large Language Models
by: Wang, Hongchen, et al.
Published: (2025)