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Prevailing machine-learned interatomic potential (MLIP) uncertainty-quantification methods rely on ensembles of independently trained backbones. These methods scale unfavorably with foundation-scale MLIPs, and their member-disagreement…

Machine Learning · Computer Science 2026-05-04 Shams Mehdi , Ilkwon Cho , Olexandr Isayev

Learning discrete representations of data is a central machine learning task because of the compactness of the representations and ease of interpretation. The task includes clustering and hash learning as special cases. Deep neural networks…

Machine Learning · Statistics 2017-06-15 Weihua Hu , Takeru Miyato , Seiya Tokui , Eiichi Matsumoto , Masashi Sugiyama

Perturbation-based post-hoc image explanation methods are commonly used to explain image prediction models. These methods perturb parts of the input to measure how those parts affect the output. Since the methods only require the input and…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Gustav Grund Pihlgren , Kary Främling

The interpretability of machine learning, particularly for deep neural networks, is crucial for decision making in real-world applications. One approach is replacing the un-interpretable machine learning model with a surrogate model, which…

Machine Learning · Statistics 2020-07-22 Keiichi Kisamori , Keisuke Yamazaki , Yuto Komori , Hiroshi Tokieda

Model-based reinforcement learning promises strong sample efficiency but often underperforms in practice due to compounding model error, unimodal world models that average over multi-modal dynamics, and overconfident predictions that bias…

Machine Learning · Computer Science 2026-04-07 Mehran Aghabozorgi , Alireza Moazeni , Yanshu Zhang , Ke Li

Industrial Cyber-Physical Systems (CPS) are sensitive infrastructure from both safety and economics perspectives, making their reliability critically important. Machine Learning (ML), specifically deep learning, is increasingly integrated…

Machine Learning · Computer Science 2026-04-09 Annemarie Jutte , Uraz Odyurt

One of the most popular methods of the machine learning prediction explanation is the SHapley Additive exPlanations method (SHAP). An imprecise SHAP as a modification of the original SHAP is proposed for cases when the class probability…

Machine Learning · Computer Science 2021-06-18 Lev V. Utkin , Andrei V. Konstantinov , Kirill A. Vishniakov

While machine-learning models are flourishing and transforming many aspects of everyday life, the inability of humans to understand complex models poses difficulties for these models to be fully trusted and embraced. Thus, interpretability…

Artificial Intelligence · Computer Science 2020-06-18 Guangyi Zhang , Aristides Gionis

Purpose: To explore the potential of Explainable Machine Learning in the prediction and detection of drivers of cleared homicides at the national- and state-levels in the United States. Methods: First, nine algorithmic approaches are…

Machine Learning · Computer Science 2022-03-10 Gian Maria Campedelli

Statistical samples, in order to be representative, have to be drawn from a population in a random and unbiased way. Nevertheless, it is common practice in the field of model-based diagnosis to make estimations from (biased) best-first…

Artificial Intelligence · Computer Science 2022-08-05 Patrick Rodler , Fatima Elichanova

Deep learning models are known to often learn features that spuriously correlate with the class label during training but are irrelevant to the prediction task. Existing methods typically address this issue by annotating potential spurious…

Computer Vision and Pattern Recognition · Computer Science 2025-12-30 Weiwei Li , Junzhuo Liu , Yuanyuan Ren , Yuchen Zheng , Yahao Liu , Wen Li

Recently there has been much work on selective sampling, an online active learning setting, in which algorithms work in rounds. On each round an algorithm receives an input and makes a prediction. Then, it can decide whether to query a…

Machine Learning · Computer Science 2014-02-18 Edward Moroshko , Koby Crammer

Decisions in organizations are about evaluating alternatives and choosing the one that would best serve organizational goals. To the extent that the evaluation of alternatives could be formulated as a predictive task with appropriate…

Human-Computer Interaction · Computer Science 2022-06-30 Charles Wan , Rodrigo Belo , Leid Zejnilović

Language models (LMs) can perform complex reasoning either end-to-end, with hidden latent state, or compositionally, with transparent intermediate state. Composition offers benefits for interpretability and safety, but may need workflow…

Computation and Language · Computer Science 2023-01-06 Justin Reppert , Ben Rachbach , Charlie George , Luke Stebbing , Jungwon Byun , Maggie Appleton , Andreas Stuhlmüller

An emerging area of research aims to learn deep generative models with limited training data. Prior generative models like GANs and diffusion models require a lot of data to perform well, and their performance degrades when they are trained…

Computer Vision and Pattern Recognition · Computer Science 2024-09-27 Chirag Vashist , Shichong Peng , Ke Li

This paper describes an adaptation of the Local Interpretable Model-Agnostic Explanations (LIME) AI method to operate under a biometric verification setting. LIME was initially proposed for networks with the same output classes used for…

Computer Vision and Pattern Recognition · Computer Science 2023-07-26 Fernando Alonso-Fernandez , Kevin Hernandez-Diaz , Jose M. Buades , Prayag Tiwari , Josef Bigun

Machine learning (ML) systems are increasingly deployed in high-stakes domains where reliability is paramount. This thesis investigates how uncertainty estimation can enhance the safety and trustworthiness of ML, focusing on selective…

Machine Learning · Computer Science 2025-09-09 Stephan Rabanser

In the domain of Mobility Data Science, the intricate task of interpreting models trained on trajectory data, and elucidating the spatio-temporal movement of entities, has persistently posed significant challenges. Conventional XAI…

Artificial Intelligence · Computer Science 2023-12-04 Georgios Makridis , Vasileios Koukos , Georgios Fatouros , Dimosthenis Kyriazis

Investigating the reasoning abilities of transformer models, and discovering new challenging tasks for them, has been a topic of much interest. Recent studies have found these models to be surprisingly strong at performing deductive…

Computation and Language · Computer Science 2021-12-17 Kyle Richardson , Ashish Sabharwal

Predictive process monitoring is a subfield of process mining that aims to estimate case or event features for running process instances. Such predictions are of significant interest to the process stakeholders. However, most of the…