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Recently there has been a surge of interest in operations research (OR) and the machine learning (ML) community in combining prediction algorithms and optimization techniques to solve decision-making problems in the face of uncertainty.…

最优化与控制 · 数学 2025-11-11 Utsav Sadana , Abhilash Chenreddy , Erick Delage , Alexandre Forel , Emma Frejinger , Thibaut Vidal

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…

机器学习 · 计算机科学 2026-05-29 Roel J. Leenhouts , Nathan K. Morgan , William Green , Jan G. Rittig , Florence H. Vermeire

Automated program comprehension underpins many software engineering tasks, from code summarisation to clone detection. Recent deep learning models achieve strong results but typically rely on source code alone, overlooking contextual…

软件工程 · 计算机科学 2025-10-15 Huy Nguyen , Christoph Treude , Patanamon Thongtanunam

Topic segmentation is critical in key NLP tasks and recent works favor highly effective neural supervised approaches. However, current neural solutions are arguably limited in how they model context. In this paper, we enhance a segmenter…

计算与语言 · 计算机科学 2020-10-08 Linzi Xing , Brad Hackinen , Giuseppe Carenini , Francesco Trebbi

While Reinforcement Learning ( RL) has made great strides towards solving increasingly complicated problems, many algorithms are still brittle to even slight environmental changes. Contextual Reinforcement Learning (cRL) provides a…

Modern neural speech models benefit from having longer context, and many approaches have been proposed to increase the maximum context a model can use. However, few have attempted to measure how much context these models actually use, i.e.,…

声音 · 计算机科学 2025-05-29 Yen Meng , Sharon Goldwater , Hao Tang

Recent progress in ML and LLMs has improved vulnerability detection, and recent datasets have reduced label noise and unrelated code changes. However, most existing approaches still operate at the function level, where models are asked to…

Is there a unified model for generating molecules considering different conditions, such as binding pockets and chemical properties? Although target-aware generative models have made significant advances in drug design, they do not consider…

人工智能 · 计算机科学 2023-02-15 Zhangyang Gao , Yuqi Hu , Cheng Tan , Stan Z. Li

In this study, we investigate the effectiveness of advanced feature engineering and hybrid model architectures for anomaly detection in a multivariate industrial time series, focusing on a steam turbine system. We evaluate the impact of…

机器学习 · 计算机科学 2025-10-31 Emilio Mastriani , Alessandro Costa , Federico Incardona , Kevin Munari , Sebastiano Spinello

Tabular data, a fundamental data format in machine learning, is predominantly utilized in competitions and real-world applications. The performance of tabular models--such as gradient boosted decision trees and neural networks--can vary…

机器学习 · 计算机科学 2025-05-20 Si-Yang Liu , Qile Zhou , Han-Jia Ye

This paper addresses the problem of classifying observations when features are context-sensitive, specifically when the testing set involves a context that is different from the training set. The paper begins with a precise definition of…

机器学习 · 计算机科学 2007-05-23 Peter D. Turney

Molecular property prediction (MPP) is integral to drug discovery and material science, but often faces the challenge of data scarcity in real-world scenarios. Addressing this, few-shot molecular property prediction (FSMPP) has been…

机器学习 · 计算机科学 2024-11-05 Liang Wang , Qiang Liu , Shaozhen Liu , Xin Sun , Shu Wu , Liang Wang

We study a linear contextual optimization problem where a decision maker has access to historical data and contextual features to learn a cost prediction model aimed at minimizing decision error. We adopt the predict-then-optimize framework…

最优化与控制 · 数学 2025-04-09 Omar Bennouna , Jiawei Zhang , Saurabh Amin , Asuman Ozdaglar

Language models have emerged as powerful predictors of the viability of biological sequences. During training these models learn the rules of the grammar obeyed by sequences of amino acids or nucleotides. Once trained, these models can take…

机器学习 · 计算机科学 2025-04-25 Pranav Kantroo , Günter P. Wagner , Benjamin B. Machta

We present Context Forest (ConF), a technique for predicting properties of the objects in an image based on its global appearance. Compared to standard nearest-neighbour techniques, ConF is more accurate, fast and memory efficient. We train…

计算机视觉与模式识别 · 计算机科学 2015-03-04 Davide Modolo , Alexander Vezhnevets , Vittorio Ferrari

Recent papers show LLMs achieve near-random accuracy in causal relation classification, raising questions about whether such failures arise from limited pretraining exposure or deeper representational gaps. We investigate this under…

计算与语言 · 计算机科学 2025-09-25 Oscar Lithgow-Serrano , Vani Kanjirangat , Alessandro Antonucci

To interact with humans in collaborative environments, machines need to be able to predict (i.e., anticipate) future events, and execute actions in a timely manner. However, the observation of the human limb movements may not be sufficient…

机器人学 · 计算机科学 2020-06-19 Clebeson Canuto , Plinio Moreno , Jorge Samatelo , Raquel Vassallo , José Santos-Victor

Tandem Mass Spectrometry is a cornerstone technique for identifying unknown small molecules in fields such as metabolomics, natural product discovery and environmental analysis. However, certain aspects, such as the probabilistic…

人工智能 · 计算机科学 2026-01-19 Laura Mismetti , Marvin Alberts , Andreas Krause , Mara Graziani

Video anomalies often depend on contextual information available and temporal evolution. Non-anomalous action in one context can be anomalous in some other context. Most anomaly detectors, however, do not notice this type of context, which…

计算机视觉与模式识别 · 计算机科学 2025-11-04 Yousuf Ahmed Siddiqui , Sufiyaan Usmani , Umer Tariq , Jawwad Ahmed Shamsi , Muhammad Burhan Khan

End-to-end models that condition the output label sequence on all previously predicted labels have emerged as popular alternatives to conventional systems for automatic speech recognition (ASR). Since unique label histories correspond to…

计算与语言 · 计算机科学 2020-12-15 Rohit Prabhavalkar , Yanzhang He , David Rybach , Sean Campbell , Arun Narayanan , Trevor Strohman , Tara N. Sainath