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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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

人工智能 · 计算机科学 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…

机器学习 · 计算机科学 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…

人工智能 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

人机交互 · 计算机科学 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…

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…

计算机视觉与模式识别 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

人工智能 · 计算机科学 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…

计算与语言 · 计算机科学 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…