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Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

Machine Learning has been applied to pathology images in research and clinical practice with promising outcomes. However, standard ML models often lack the rigorous evaluation required for clinical decisions. Machine learning techniques for…

Image and Video Processing · Electrical Eng. & Systems 2022-04-19 Syed Ashar Javed , Dinkar Juyal , Zahil Shanis , Shreya Chakraborty , Harsha Pokkalla , Aaditya Prakash

An important component for generalization in machine learning is to uncover underlying latent factors of variation as well as the mechanism through which each factor acts in the world. In this paper, we test whether 17 unsupervised, weakly…

We study the generalization error of statistical learning models in a Federated Learning (FL) setting. Specifically, there are $K$ devices or clients, each holding an independent own dataset of size $n$. Individual models, learned locally…

Machine Learning · Statistics 2023-05-12 Romain Chor , Milad Sefidgaran , Abdellatif Zaidi

We derive a tight generalization bound for quantum machine learning that is applicable to a wide range of supervised tasks, data, and models. Our bound is both efficiently computable and free of big-O notation. Furthermore, we point out…

Quantum Physics · Physics 2025-10-29 Xin Wang , Rebing Wu

Researchers addressing post-treatment complications in randomized trials often turn to principal stratification to define relevant assumptions and quantities of interest. One approach for estimating causal effects in this framework is to…

Methodology · Statistics 2016-06-09 Avi Feller , Fabrizia Mealli , Luke Miratrix

In real data, missing values occur frequently, which affects the interpretation with interpretable machine learning (IML) methods. Recent work considers bias and shows that model explanations may differ between imputation methods, while…

Machine Learning · Statistics 2025-12-22 Pegah Golchian , Marvin N. Wright

Recent advances in machine learning (ML) methods have led to substantial improvement in materials property prediction against community benchmarks, but an excellent benchmark score may not imply good generalization of performance. Here we…

Materials Science · Physics 2023-04-26 Kangming Li , Brian DeCost , Kamal Choudhary , Michael Greenwood , Jason Hattrick-Simpers

Many proposals have emerged as alternatives to the Heckman selection model, mainly to address the non-robustness of its normal assumption. The 2001 Medical Expenditure Panel Survey data is often used to illustrate this non-robustness of the…

Methodology · Statistics 2021-04-02 Fernando de S. Bastos , Wagner Barreto-Souza , Marc G. Genton

Machine Reading Comprehension (MRC) is an active field in natural language processing with many successful developed models in recent years. Despite their high in-distribution accuracy, these models suffer from two issues: high training…

Computation and Language · Computer Science 2021-07-16 Razieh Baradaran , Hossein Amirkhani

Uncertainty quantification is central to many applications of causal machine learning, yet principled Bayesian inference for causal effects remains challenging. Standard Bayesian approaches typically require specifying a probabilistic model…

Machine Learning · Statistics 2026-03-04 Emil Javurek , Dennis Frauen , Yuxin Wang , Stefan Feuerriegel

Unlearning methods have the potential to improve the privacy and safety of large language models (LLMs) by removing sensitive or harmful information post hoc. The LLM unlearning research community has increasingly turned toward empirical…

Computation and Language · Computer Science 2025-04-09 Pratiksha Thaker , Shengyuan Hu , Neil Kale , Yash Maurya , Zhiwei Steven Wu , Virginia Smith

Ensuring robust model performance in diverse real-world scenarios requires addressing generalizability across domains with covariate shifts. However, no formal procedure exists for statistically evaluating generalizability in machine…

Machine Learning · Computer Science 2025-06-13 Daniel de Vassimon Manela , Linying Yang , Robin J. Evans

Background: Clinical prediction models for a health condition are commonly evaluated regarding performance for a population, although decisions are made for individuals. The classic view relates uncertainty in risk estimates for individuals…

Machine Learning models are being extensively used in safety critical applications where errors from these models could cause harm to the user. Such risks are amplified when multiple machine learning models, which are deployed concurrently,…

Machine Learning · Computer Science 2025-02-07 Yuanyuan Li , Neeraj Sarna , Yang Lin

Cancer patients are increasingly turning to large language models (LLMs) for medical information, making it critical to assess how well these models handle complex, personalized questions. However, current medical benchmarks focus on…

Computation and Language · Computer Science 2025-11-03 Wang Bill Zhu , Tianqi Chen , Xinyan Velocity Yu , Ching Ying Lin , Jade Law , Mazen Jizzini , Jorge J. Nieva , Ruishan Liu , Robin Jia

Machine learning systems often do not share the same inductive biases as humans and, as a result, extrapolate or generalize in ways that are inconsistent with our expectations. The trade-off between exemplar- and rule-based generalization…

Machine Learning · Computer Science 2022-06-20 Ishita Dasgupta , Erin Grant , Thomas L. Griffiths

In high-stakes domains like healthcare, users often expect that sharing personal information with machine learning systems will yield tangible benefits, such as more accurate diagnoses and clearer explanations of contributing factors.…

Machine Learning · Computer Science 2026-03-18 Louisa Cornelis , Guillermo Bernárdez , Haewon Jeong , Nina Miolane

This study aims to investigate the effects of violations of the sphericity assumption on Type I error rates for different methodical approaches of repeated measures analysis using a simulation approach. In contrast to previous simulation…

Applications · Statistics 2017-04-26 Nicolas Haverkamp , Andre Beauducel

The infrequent occurrence of overfit in deep neural networks is perplexing. On the one hand, theory predicts that as models get larger they should eventually become too specialized for a specific training set, with ensuing decrease in…

Machine Learning · Computer Science 2023-12-29 Uri Stern , Daphna Weinshall