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Despite recent advances in protein-ligand structure prediction, deep learning methods remain limited in their ability to accurately predict binding affinities, particularly for novel protein targets dissimilar from the training set. In…

Quantitative Methods · Quantitative Biology 2025-12-04 Michael Brocidiacono , James Wellnitz , Konstantin I. Popov , Alexander Tropsha

Machine learning is rapidly becoming an integral part of experimental physical discovery via automated and high-throughput synthesis, and active experiments in scattering and electron/probe microscopy. This, in turn, necessitates the…

Additive manufacturing has become one of the forefront technologies in fabrication, enabling new products impossible to manufacture before. Although many materials exist for additive manufacturing, they typically suffer from performance…

The subject of this paper is reinforcement learning. Policies are considered here that produce actions based on states and random elements autocorrelated in subsequent time instants. Consequently, an agent learns from experiments that are…

Machine Learning · Computer Science 2020-09-11 Marcin Szulc , Jakub Łyskawa , Paweł Wawrzyński

We propose an approach to learning agents for active robotic mapping, where the goal is to map the environment as quickly as possible. The agent learns to map efficiently in simulated environments by receiving rewards corresponding to how…

Robotics · Computer Science 2018-01-01 Shane Barratt

Computer experiments refer to the study of real systems using complex simulation models. They have been widely used as alternatives to physical experiments. Design and analysis of computer experiments have attracted great attention in past…

Methodology · Statistics 2025-04-29 Anita Shahrokhian , Xinwei Deng , C. Devon Lin

Active learning from demonstration allows a robot to query a human for specific types of input to achieve efficient learning. Existing work has explored a variety of active query strategies; however, to our knowledge, none of these…

Machine Learning · Computer Science 2019-06-05 Daniel S. Brown , Yuchen Cui , Scott Niekum

Quality control is a key activity performed by manufacturing enterprises to ensure products meet quality standards and avoid potential damage to the brand's reputation. The decreased cost of sensors and connectivity enabled an increasing…

Machine Learning · Computer Science 2021-09-07 Elena Trajkova , Jože M. Rožanec , Paulien Dam , Blaž Fortuna , Dunja Mladenić

Parameter values for seismic processing steps are often chosen on a regular grid of samples and interpolated. Active learning instead attempts to optimally select the samples on which parameter values are chosen. For parameters that do not…

Geophysics · Physics 2021-06-18 Alan Richardson

Robots need robust and flexible vision systems to perceive and reason about their environments beyond geometry. Most of such systems build upon deep learning approaches. As autonomous robots are commonly deployed in initially unknown…

Robotics · Computer Science 2024-10-15 Julius Rückin , Federico Magistri , Cyrill Stachniss , Marija Popović

Entity Matching (EM) is a core data cleaning task, aiming to identify different mentions of the same real-world entity. Active learning is one way to address the challenge of scarce labeled data in practice, by dynamically collecting the…

Databases · Computer Science 2020-03-31 Venkata Vamsikrishna Meduri , Lucian Popa , Prithviraj Sen , Mohamed Sarwat

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

How can we find a general way to choose the most suitable samples for training a classifier? Even with very limited prior information? Active learning, which can be regarded as an iterative optimization procedure, plays a key role to…

Machine Learning · Computer Science 2019-04-16 Bo Du , Zengmao Wang , Lefei Zhang , Liangpei Zhang , Wei Liu , Jialie Shen , Dacheng Tao

Active learning aims to reduce the high labeling cost involved in training machine learning models on large datasets by efficiently labeling only the most informative samples. Recently, deep active learning has shown success on various…

Computer Vision and Pattern Recognition · Computer Science 2019-12-12 Sudhanshu Mittal , Maxim Tatarchenko , Özgün Çiçek , Thomas Brox

Autonomous robots operating in open and changing environments cannot always rely on predefined inputs, outputs, and action routines. Although existing learning methods enable robots to improve their performance through environmental…

Artificial Intelligence · Computer Science 2026-05-26 Hong Su

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

Supervised machine learning-based medical image computing applications necessitate expert label curation, while unlabelled image data might be relatively abundant. Active learning methods aim to prioritise a subset of available image data…

Autonomous experimentation (AE) combines machine learning and research hardware automation in a closed loop, guiding subsequent experiments toward user goals. As applied to materials research, AE can accelerate materials exploration,…

Materials Science · Physics 2023-06-21 Felix Adams , Austin McDannald , Ichiro Takeuchi , A. Gilad Kusne

One effective approach for equipping artificial agents with sensorimotor skills is to use self-exploration. To do this efficiently is critical, as time and data collection are costly. In this study, we propose an exploration mechanism that…

Robotics · Computer Science 2021-02-18 Melisa Sener , Yukie Nagai , Erhan Oztop , Emre Ugur

Robust Policy Search is the problem of learning policies that do not degrade in performance when subject to unseen environment model parameters. It is particularly relevant for transferring policies learned in a simulation environment to…

Machine Learning · Computer Science 2021-11-23 Sai Kiran Narayanaswami , Nandan Sudarsanam , Balaraman Ravindran