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Complex systems in science and engineering sometimes exhibit behavior that changes across different regimes. Traditional global models struggle to capture the full range of this complex behavior, limiting their ability to accurately…

Machine Learning · Computer Science 2023-07-24 Okezzi F. Ukorigho , Opeoluwa Owoyele

Machine-learning force fields enable an accurate and universal description of the potential energy surface of molecules and materials on the basis of a training set of ab initio data. However, large-scale applications of these methods rest…

Computational Physics · Physics 2023-07-25 Valerio Briganti , Alessandro Lunghi

We propose a novel active learning framework for activity recognition using wearable sensors. Our work is unique in that it takes physical and cognitive limitations of the oracle into account when selecting sensor data to be annotated by…

Machine Learning · Computer Science 2019-07-30 Zhila Esna Ashari , Hassan Ghasemzadeh

The recent boom in computational chemistry has enabled several projects aimed at discovering useful materials or catalysts. We acknowledge and address two recurring issues in the field of computational catalyst discovery. First, calculating…

Chemical Physics · Physics 2021-04-07 Kevin Tran , Willie Neiswanger , Kirby Broderick , Erix Xing , Jeff Schneider , Zachary W. Ulissi

Often the development of novel functional peptides is not amenable to high throughput or purely computational screening methods. Peptides must be synthesized one at a time in a process that does not generate large amounts of data. One way…

Biomolecules · Quantitative Biology 2020-12-14 Rainier Barrett , Andrew D. White

In this paper we accomplish the development of the fast rank-adaptive solver for tensor-structured symmetric positive definite linear systems in higher dimensions. In [arXiv:1301.6068] this problem is approached by alternating minimization…

Numerical Analysis · Mathematics 2014-10-07 Sergey V. Dolgov , Dmitry V. Savostyanov

We address the problem of active mapping with a continually-learned neural scene representation, namely Active Neural Mapping. The key lies in actively finding the target space to be explored with efficient agent movement, thus minimizing…

Computer Vision and Pattern Recognition · Computer Science 2023-09-01 Zike Yan , Haoxiang Yang , Hongbin Zha

Active learning (AL) has shown promise for being a particularly data-efficient machine learning approach. Yet, its performance depends on the application and it is not clear when AL practitioners can expect computational savings. Here, we…

Machine Learning · Computer Science 2024-08-22 Kunal Ghosh , Milica Todorović , Aki Vehtari , Patrick Rinke

Active Search has become an increasingly useful tool in information retrieval problems where the goal is to discover as many target elements as possible using only limited label queries. With the advent of big data, there is a growing…

Machine Learning · Statistics 2017-08-23 Sibi Venkatesan , James K. Miller , Jeff Schneider , Artur Dubrawski

Our goal is to enable robots to plan sequences of tabletop actions to push a block with unknown physical properties to a desired goal pose. We approach this problem by learning the constituent models of a Partially-Observable Markov…

Robotics · Computer Science 2025-07-02 Atharv Jain , Seiji Shaw , Nicholas Roy

During recent years, active learning has evolved into a popular paradigm for utilizing user's feedback to improve accuracy of learning algorithms. Active learning works by selecting the most informative sample among unlabeled data and…

Machine Learning · Computer Science 2016-11-17 Alireza Ghasemi , Hamid R. Rabiee , Mohsen Fadaee , Mohammad T. Manzuri , Mohammad H. Rohban

We introduce a reinforcement learning algorithm designed to identify the fixed points of a given quantum operation. The method iteratively constructs the unitary transformation that maps the computational basis onto the basis of fixed…

Quantum Physics · Physics 2025-11-25 María Laura Olivera-Atencio , Jesús Casado-Pascual , Denis Lacroix

The primary objective of most lead optimization campaigns is to enhance the binding affinity of ligands. For large molecules such as antibodies, identifying mutations that enhance antibody affinity is particularly challenging due to the…

Machine Learning · Computer Science 2024-06-12 Alexandra Gessner , Sebastian W. Ober , Owen Vickery , Dino Oglić , Talip Uçar

Can quantum mechanics help us in building intelligent robots and agents? One of the defining characteristics of intelligent behavior is the capacity to learn from experience. However, a major bottleneck for agents to learn in any real-life…

A practical challenge in reinforcement learning are combinatorial action spaces that make planning computationally demanding. For example, in cooperative multi-agent reinforcement learning, a potentially large number of agents jointly…

We investigate active learning in the context of deep neural network models for change detection and map updating. Active learning is a natural choice for a number of remote sensing tasks, including the detection of local surface changes:…

Computer Vision and Pattern Recognition · Computer Science 2020-08-26 Vít Růžička , Stefano D'Aronco , Jan Dirk Wegner , Konrad Schindler

A multiagent sequential decision problem has been seen in many critical applications including urban transportation, autonomous driving cars, military operations, etc. Its widely known solution, namely multiagent reinforcement learning, has…

Artificial Intelligence · Computer Science 2024-10-29 Yanyu Liu , Yinghui Pan , Yifeng Zeng , Biyang Ma , Doshi Prashant

We construct and analyze active learning algorithms for the problem of binary classification with abstention. We consider three abstention settings: \emph{fixed-cost} and two variants of \emph{bounded-rate} abstention, and for each of them…

Machine Learning · Computer Science 2019-06-04 Shubhanshu Shekhar , Mohammad Ghavamzadeh , Tara Javidi

Active learning methods aim to improve sample complexity in machine learning. In this work, we investigate an active learning scheme via a novel gradient-free cutting-plane training method for ReLU networks of arbitrary depth and develop a…

Machine Learning · Computer Science 2025-06-26 Erica Zhang , Fangzhao Zhang , Mert Pilanci

Active learning approaches in computer vision generally involve querying strong labels for data. However, previous works have shown that weak supervision can be effective in training models for vision tasks while greatly reducing annotation…

Computer Vision and Pattern Recognition · Computer Science 2019-10-16 Sai Vikas Desai , Akshay L Chandra , Wei Guo , Seishi Ninomiya , Vineeth N Balasubramanian