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Machine learning for molecular property prediction has focused largely on pure compounds, even though many practical applications depend on mixtures with intermolecular interactions. Recent work has expanded the availability of mixture…

Machine Learning · Computer Science 2026-05-29 Roel J. Leenhouts , Nathan K. Morgan , William Green , Jan G. Rittig , Florence H. Vermeire

The quality of explanations for the predictions made by complex machine learning predictors is often measured using insertion and deletion metrics, which assess the faithfulness of the explanations, i.e., how accurately the explanations…

Machine Learning · Computer Science 2024-03-13 Yuya Yoshikawa , Tomoharu Iwata

Although there is now a large literature on policy evaluation and learning, much of the prior work assumes that the treatment assignment of one unit does not affect the outcome of another unit. Unfortunately, ignoring interference can lead…

Methodology · Statistics 2025-04-02 Yi Zhang , Kosuke Imai

While most prior research has focused on improving the precision of multimodal trajectory predictions, the explicit modeling of multimodal behavioral intentions (e.g., yielding, overtaking) remains relatively underexplored. This paper…

Robotics · Computer Science 2026-02-19 Jiawei Sun , Xibin Yue , Jiahui Li , Tianle Shen , Chengran Yuan , Shuo Sun , Sheng Guo , Quanyun Zhou , Marcelo H Ang

Researchers in explainable artificial intelligence have developed numerous methods for helping users understand the predictions of complex supervised learning models. By contrast, explaining the $\textit{uncertainty}$ of model outputs has…

Machine Learning · Statistics 2023-11-01 David S. Watson , Joshua O'Hara , Niek Tax , Richard Mudd , Ido Guy

Over the years, the technological landscape has evolved, reshaping the security posture of organisations and increasing their exposure to cybersecurity threats, many originating from within. Insider threats remain a major challenge,…

Cryptography and Security · Computer Science 2025-10-24 Selma Shikonde , Mike Wa Nkongolo

Objectives: We study interpretable recidivism prediction using machine learning (ML) models and analyze performance in terms of prediction ability, sparsity, and fairness. Unlike previous works, this study trains interpretable models that…

Machine Learning · Statistics 2022-03-15 Caroline Wang , Bin Han , Bhrij Patel , Cynthia Rudin

This paper proposes an intent-aware multi-agent planning framework as well as a learning algorithm. Under this framework, an agent plans in the goal space to maximize the expected utility. The planning process takes the belief of other…

Artificial Intelligence · Computer Science 2018-03-07 Siyuan Qi , Song-Chun Zhu

Implied-integer detection is a well-known presolving technique that is used by many Mixed-Integer Linear Programming solvers. Informally, a variable is said to be implied integer if its integrality is enforced implicitly by integrality of…

Discrete Mathematics · Computer Science 2025-07-15 Rolf van der Hulst , Matthias Walter

With the widespread deployment of deep learning models, they influence their environment in various ways. The induced distribution shifts can lead to unexpected performance degradation in deployed models. Existing methods to anticipate…

Cutting plane selection is a subroutine used in all modern mixed-integer linear programming solvers with the goal of selecting a subset of generated cuts that induce optimal solver performance. These solvers have millions of parameter…

Optimization and Control · Mathematics 2023-02-24 Mark Turner , Thorsten Koch , Felipe Serrano , Michael Winkler

The problem of computing an exact experimental design that is optimal for the least-squares estimation of the parameters of a regression model is considered. We show that this problem can be solved via mixed-integer linear programming…

Computation · Statistics 2024-06-18 Radoslav Harman , Samuel Rosa

Supervised machine-learning models often underperform in predicting user behaviors from conversational text, hindered by poor crowdsourced label quality and low NLP task accuracy. We introduce the Metadata-Sensitive Weighted-Encoding…

Machine Learning · Computer Science 2025-05-29 Lynnette Hui Xian Ng , Kokil Jaidka , Kaiyuan Tay , Hansin Ahuja , Niyati Chhaya

Training large language models (LLMs) efficiently while preserving model quality poses significant challenges, particularly with subbyte precision supported by state-of-the-art GPUs. Current mixed-precision training approaches either apply…

Machine Learning · Computer Science 2026-02-03 Yunjie Pan , Yongyi Yang , Hanmei Yang , Scott Mahlke

Correctly identifying sleep stages is important in diagnosing and treating sleep disorders. This work proposes a joint classification-and-prediction framework based on CNNs for automatic sleep staging, and, subsequently, introduces a simple…

Machine Learning · Computer Science 2019-02-05 Huy Phan , Fernando Andreotti , Navin Cooray , Oliver Y. Chén , Maarten De Vos

In many application settings, the data have missing entries which make analysis challenging. An abundant literature addresses missing values in an inferential framework: estimating parameters and their variance from incomplete tables. Here,…

Machine Learning · Statistics 2024-03-22 Julie Josse , Jacob M. Chen , Nicolas Prost , Erwan Scornet , Gaël Varoquaux

Prescriptive process monitoring methods seek to improve the performance of a process by selectively triggering interventions at runtime (e.g., offering a discount to a customer) to increase the probability of a desired case outcome (e.g., a…

Machine Learning · Computer Science 2022-12-08 Mahmoud Shoush , Marlon Dumas

Understanding the decision-making process of machine learning models provides valuable insights into the task, the data, and the reasons behind a model's failures. In this work, we propose a method that performs inherently interpretable…

Computer Vision and Pattern Recognition · Computer Science 2025-05-19 Moritz Vandenhirtz , Julia E. Vogt

Machine learning transparency calls for interpretable explanations of how inputs relate to predictions. Feature attribution is a way to analyze the impact of features on predictions. Feature interactions are the contextual dependence…

Machine Learning · Statistics 2020-06-22 Michael Tsang , Sirisha Rambhatla , Yan Liu

Recently, growing health awareness, novel methods allow individuals to monitor sleep at home. Utilizing sleep sounds offers advantages over conventional methods like smartwatches, being non-intrusive, and capable of detecting various…

Machine Learning · Computer Science 2024-10-18 Shintaro Tamai , Masayuki Numao , Ken-ichi Fukui