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Accurate modeling of chemically reactive systems has traditionally relied on either expensive ab initio approaches or flexible bond-order force fields such as ReaxFF that require considerable time, effort, and expertise to parameterize.…

Materials Science · Physics 2022-09-21 Jonathan Vandermause , Yu Xie , Jin Soo Lim , Cameron J. Owen , Boris Kozinsky

AI models have garnered significant research attention towards predictive task automation. However, a stationary training environment is an underlying assumption for most models and such models simply do not work on non-stationary data…

Machine Learning · Computer Science 2025-04-29 Hassan Wasswa , Aziida Nanyonga , Timothy Lynar

We introduce a scalable Bayesian preference learning method for identifying convincing arguments in the absence of gold-standard rat- ings or rankings. In contrast to previous work, we avoid the need for separate methods to perform quality…

Computation and Language · Computer Science 2018-06-08 Edwin Simpson , Iryna Gurevych

The recent increase in volume and complexity of available astronomical data has led to a wide use of supervised machine learning techniques. Active learning strategies have been proposed as an alternative to optimize the distribution of…

The saddle point (SP) calculation is a grand challenge for computationally intensive energy function in computational chemistry area, where the saddle point may represent the transition state (TS). The traditional methods need to evaluate…

Machine Learning · Statistics 2022-11-08 Shuting Gu , Hongqiao Wang , Xiang Zhou

Skeleton-based Temporal Action Segmentation (STAS) aims to densely parse untrimmed skeletal sequences into frame-level action categories. However, existing methods, while proficient at capturing spatio-temporal kinematics, neglect the…

Computer Vision and Pattern Recognition · Computer Science 2026-03-26 Haoyu Ji , Xueting Liu , Yu Gao , Wenze Huang , Zhihao Yang , Weihong Ren , Zhiyong Wang , Honghai Liu

Active learning in computer experiments aims at allocating resources in an intelligent manner based on the already observed data to satisfy certain objectives such as emulating or optimizing a computationally expensive function. There are…

Methodology · Statistics 2025-01-24 Difan Song , V. Roshan Joseph

Bayesian active learning is based on information theoretical approaches that focus on maximising the information that new observations provide to the model parameters. This is commonly done by maximising the Bayesian Active Learning by…

Machine Learning · Computer Science 2024-02-20 Frederik Boe Hüttel , Christoffer Riis , Filipe Rodrigues , Francisco Câmara Pereira

Despite the availability of ever more data enabled through modern sensor and computer technology, it still remains an open problem to learn dynamical systems in a sample-efficient way. We propose active learning strategies that leverage…

Machine Learning · Computer Science 2020-12-08 Mona Buisson-Fenet , Friedrich Solowjow , Sebastian Trimpe

Many complex dynamical phenomena can be effectively modeled by a system that switches among a set of conditionally linear dynamical modes. We consider two such models: the switching linear dynamical system (SLDS) and the switching vector…

Methodology · Statistics 2015-05-18 Emily B. Fox , Erik B. Sudderth , Michael I. Jordan , Alan S. Willsky

Gathering labeled data to train well-performing machine learning models is one of the critical challenges in many applications. Active learning aims at reducing the labeling costs by an efficient and effective allocation of costly labeling…

Machine Learning · Computer Science 2020-06-03 Daniel Kottke , Marek Herde , Christoph Sandrock , Denis Huseljic , Georg Krempl , Bernhard Sick

In the machine learning domain, active learning is an iterative data selection algorithm for maximizing information acquisition and improving model performance with limited training samples. It is very useful, especially for the industrial…

Machine Learning · Statistics 2020-04-24 Xiaowei Yue , Yuchen Wen , Jeffrey H. Hunt , Jianjun Shi

We discuss the problem in which an autonomous vehicle must classify an object based on multiple views. We focus on the active classification setting, where the vehicle controls which views to select to best perform the classification. The…

Robotics · Computer Science 2011-06-30 Geoffrey A. Hollinger , Urbashi Mitra , Gaurav S. Sukhatme

Human visual attention is a complex phenomenon that has been studied for decades. Within it, the particular problem of scanpath prediction poses a challenge, particularly due to the inter- and intra-observer variability, among other…

Computer Vision and Pattern Recognition · Computer Science 2022-04-21 Daniel Martin , Diego Gutierrez , Belen Masia

Vision-Language Navigation in Continuous Environments (VLNCE), where an agent follows instructions and moves freely to reach a destination, is a key research problem in embodied AI. However, most existing approaches are sensitive to…

Computer Vision and Pattern Recognition · Computer Science 2026-02-23 Josh Qixuan Sun , Huaiyuan Weng , Xiaoying Xing , Chul Min Yeum , Mark Crowley

Deep active learning (AL) selects batches of instances for annotation to avoid retraining deep neural networks (DNNs) after each new label. Employing a naive top-$b$ selection can result in a batch of redundant (similar) instances. To…

Machine Learning · Computer Science 2026-03-12 Denis Huseljic , Marek Herde , Lukas Rauch , Paul Hahn , Zhixin Huang , Daniel Kottke , Stephan Vogt , Bernhard Sick

Global sensitivity analysis of complex numerical simulators is often limited by the small number of model evaluations that can be afforded. In such settings, surrogate models built from a limited set of simulations can substantially reduce…

Machine Learning · Statistics 2026-01-21 Guerlain Lambert , Céline Helbert , Claire Lauvernet

Accurately solving partial differential equations (PDEs) is critical to understanding complex scientific and engineering phenomena, yet traditional numerical solvers are computationally expensive. Surrogate models offer a more efficient…

Machine Learning · Computer Science 2026-04-17 Yegon Kim , Hyunsu Kim , Gyeonghoon Ko , Juho Lee

We propose a computational model of visual search that incorporates Bayesian interpretations of the neural mechanisms that underlie categorical perception and saccade planning. To enable meaningful comparisons between simulated and human…

Computer Vision and Pattern Recognition · Computer Science 2020-06-08 Maell Cullen , Jonathan Monney , M. Berk Mirza , Rosalyn Moran

A Bayesian approach is developed to analyze change points in multivariate time series and space-time data. The methodology is used to assess the impact of extended inundation on the ecosystem of the Gulf Plains bioregion in northern…

Methodology · Statistics 2013-06-21 Chris Strickland , Robert Burdett , Robert Denham , Robert Kohn , Kerrie Mengersen