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Deep predictive models rely on human supervision in the form of labeled training data. Obtaining large amounts of annotated training data can be expensive and time consuming, and this becomes a critical bottleneck while building such models…

Machine Learning · Statistics 2020-10-01 Bindya Venkatesh , Jayaraman J. Thiagarajan

Computing atomic-scale properties of chemically disordered materials requires an efficient exploration of their vast configuration space. Traditional approaches such as Monte Carlo or Special Quasirandom Structures either entail sampling an…

Materials Science · Physics 2026-03-17 Maciej J. Karcz , Luca Messina , Eiji Kawasaki , Emeric Bourasseau

Recent multi-LLM agent systems have shown promising capabilities for automated problem-solving, yet they predominantly rely on frozen agents or static fine-tuning pipelines. To address this limitation, our primary contribution is ATLAS…

Artificial Intelligence · Computer Science 2026-05-22 Ujin Jeon , Jiyong Kwon , Madison Ann Sullivan , Caleb Eunho Lee , Guang Lin

The challenges in feature selection, particularly in balancing model accuracy, interpretability, and computational efficiency, remain a critical issue in advancing machine learning methodologies. To address these complexities, this study…

Machine Learning · Computer Science 2026-01-06 Nachiket Kapure , Harsh Joshi , Parul Kumari , Rajeshwari Mistri , Manasi Mali

Optimizing multiple, non-preferential objectives for mixed-variable, expensive black-box problems is important in many areas of engineering and science. The expensive, noisy, black-box nature of these problems makes them ideal candidates…

Machine Learning · Computer Science 2022-11-15 Haris Moazam Sheikh , Philip S. Marcus

Resource-intensive computations are a major factor that limits the effectiveness of automated machine learning solutions. In the paper, we propose a modular approach that can be used to increase the quality of evolutionary optimization for…

Machine Learning · Computer Science 2023-01-13 Nikolay O. Nikitin , Sergey Teryoshkin , Valerii Pokrovskii , Sergey Pakulin , Denis Nasonov

An active learning (AL) algorithm seeks to construct an effective classifier with a minimal number of labeled examples in a bootstrapping manner. While standard AL heuristics, such as selecting those points for annotation for which a…

Computer Vision and Pattern Recognition · Computer Science 2020-09-03 Ishani Mondal , Debasis Ganguly

We propose an approach to materials prediction that uses a machine-learning interatomic potential to approximate quantum-mechanical energies and an active learning algorithm for the automatic selection of an optimal training dataset. Our…

Materials Science · Physics 2018-06-28 Konstantin Gubaev , Evgeny V. Podryabinkin , Gus L. W. Hart , Alexander V. Shapeev

Electromagnetismlike Optimization (EMO) is a global optimization algorithm, particularly well suited to solve problems featuring nonlinear and multimodal cost functions. EMO employs searcher agents that emulate a population of charged…

Artificial Intelligence · Computer Science 2014-05-21 Erik Cuevas , Diego Oliva , Daniel Zaldivar , Marco Perez , Gonzalo Pajares

Contemporary macro energy systems modelling is characterized by the need to represent strategic and operational decisions with high temporal and spatial resolution and represent discrete investment and retirement decisions. This drive…

Optimization and Control · Mathematics 2025-10-31 Michael Lau , Filippo Pecci , Jesse D. Jenkins

This paper presents a novel methodology for fast simulation and analysis of transient heat transfer. The proposed methodology is suitable for real-time applications owing to (i) establishing the solution method from the viewpoint of…

Computational Engineering, Finance, and Science · Computer Science 2021-12-30 Jinao Zhang , Sunita Chauhan

Gradient-based meta-learning techniques are both widely applicable and proficient at solving challenging few-shot learning and fast adaptation problems. However, they have practical difficulties when operating on high-dimensional parameter…

Machine Learning · Computer Science 2019-03-27 Andrei A. Rusu , Dushyant Rao , Jakub Sygnowski , Oriol Vinyals , Razvan Pascanu , Simon Osindero , Raia Hadsell

We propose a general purpose active learning algorithm for structured prediction, gathering labeled data for training a model that outputs a set of related labels for an image or video. Active learning starts with a limited initial training…

Computer Vision and Pattern Recognition · Computer Science 2017-06-16 Mehran Khodabandeh , Zhiwei Deng , Mostafa S. Ibrahim , Shinichi Satoh , Greg Mori

The performance of any Machine Learning (ML) algorithm is impacted by the choice of its hyperparameters. As training and evaluating a ML algorithm is usually expensive, the hyperparameter optimization (HPO) method needs to be…

Machine Learning · Computer Science 2022-09-12 Alejandro Morales-Hernández , Inneke Van Nieuwenhuyse , Gonzalo Nápoles

In controlled blasting operations, accurately detecting densely distributed tiny boreholes from far-view imagery is critical for operational safety and efficiency. However, existing detection methods often struggle due to small object…

Computer Vision and Pattern Recognition · Computer Science 2025-05-09 Xuesong Liu , Tianyu Hao , Emmett J. Ientilucci

Performance optimization of deep learning models is conducted either manually or through automatic architecture search, or a combination of both. On the other hand, their performance strongly depends on the target hardware and how…

Machine Learning · Computer Science 2022-09-23 Vahid Partovi Nia , Alireza Ghaffari , Mahdi Zolnouri , Yvon Savaria

Real-world scenarios frequently involve multi-objective data-driven optimization problems, characterized by unknown problem coefficients and multiple conflicting objectives. Traditional two-stage methods independently apply a machine…

Machine Learning · Computer Science 2024-06-04 Peng Li , Lixia Wu , Chaoqun Feng , Haoyuan Hu , Lei Fu , Jieping Ye

In this paper, a multi-objective approach for the design of composite data-driven mathematical models is proposed. It allows automating the identification of graph-based heterogeneous pipelines that consist of different blocks: machine…

Neural and Evolutionary Computing · Computer Science 2021-05-19 Iana S. Polonskaia , Nikolay O. Nikitin , Ilia Revin , Pavel Vychuzhanin , Anna V. Kalyuzhnaya

Pre-trained generalist policies are rapidly gaining relevance in robot learning due to their promise of fast adaptation to novel, in-domain tasks. This adaptation often relies on collecting new demonstrations for a specific task of interest…

Machine Learning · Computer Science 2025-06-24 Marco Bagatella , Jonas Hübotter , Georg Martius , Andreas Krause

In this paper, five different approaches for reduced-order modeling of brittle fracture in geomaterials, specifically concrete, are presented and compared. Four of the five methods rely on machine learning (ML) algorithms to approximate…

Computational Engineering, Finance, and Science · Computer Science 2018-06-07 A. Hunter , B. A. Moore , M. K. Mudunuru , V. T. Chau , R. L. Miller , R. B. Tchoua , C. Nyshadham , S. Karra , D. O. Malley , E. Rougier , H. S. Viswanathan , G. Srinivasan
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