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In drug discovery, highly automated high-throughput laboratories are used to screen a large number of compounds in search of effective drugs. These experiments are expensive, so one might hope to reduce their cost by only experimenting on a…

机器学习 · 计算机科学 2025-04-15 Ihor Neporozhnii , Julien Roy , Emmanuel Bengio , Jason Hartford

In machine learning practice, early stopping has been widely used to regularize models and can save computational costs by halting the training process when the model's performance on a validation set stops improving. However, conventional…

机器学习 · 计算机科学 2025-02-12 Suqin Yuan , Runqi Lin , Lei Feng , Bo Han , Tongliang Liu

An emulator is a fast-to-evaluate statistical approximation of a detailed mathematical model (simulator). When used in lieu of simulators, emulators can expedite tasks that require many repeated evaluations, such as sensitivity analyses,…

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…

生物大分子 · 定量生物学 2020-12-14 Rainier Barrett , Andrew D. White

Active learning has been studied extensively as a method for efficient data collection. Among the many approaches in literature, Expected Error Reduction (EER) (Roy and McCallum) has been shown to be an effective method for active learning:…

机器学习 · 计算机科学 2022-11-18 Stephen Mussmann , Julia Reisler , Daniel Tsai , Ehsan Mousavi , Shayne O'Brien , Moises Goldszmidt

Active learning is a machine learning method aiming at optimal design for model training. At variance with supervised learning, which labels all samples, active learning provides an improved model by labeling samples with maximal…

When using active learning, smaller batch sizes are typically more efficient from a learning efficiency perspective. However, in practice due to speed and human annotator considerations, the use of larger batch sizes is necessary. While…

机器学习 · 计算机科学 2018-05-18 Garrett Beatty , Ethan Kochis , Michael Bloodgood

Selective prediction aims to learn a reliable model that abstains from making predictions when uncertain. These predictions can then be deferred to humans for further evaluation. As an everlasting challenge for machine learning, in many…

机器学习 · 计算机科学 2024-03-04 Jiefeng Chen , Jinsung Yoon , Sayna Ebrahimi , Sercan Arik , Somesh Jha , Tomas Pfister

Active learning is a powerful tool when labelling data is expensive, but it introduces a bias because the training data no longer follows the population distribution. We formalize this bias and investigate the situations in which it can be…

机器学习 · 统计学 2021-06-01 Sebastian Farquhar , Yarin Gal , Tom Rainforth

Active learning is relevant and challenging for high-dimensional regression models when the annotation of the samples is expensive. Yet most of the existing sampling methods cannot be applied to large-scale problems, consuming too much time…

机器学习 · 计算机科学 2020-01-24 Evgenii Tsymbalov , Maxim Panov , Alexander Shapeev

Inspired by the concept of active learning, we propose active inference$\unicode{x2013}$a methodology for statistical inference with machine-learning-assisted data collection. Assuming a budget on the number of labels that can be collected,…

机器学习 · 统计学 2026-04-09 Tijana Zrnic , Emmanuel J. Candès

Behavior cloning provides strong imitation learning guarantees when training and test environments share the same dynamics. However, in many deployment settings the test environment's transitions differ from training, and classical offline…

机器学习 · 计算机科学 2026-05-19 Surbhi Goel , Jonathan Pei , James Wang

Sequential Bayesian experimental design typically assumes that the number of experiments is fixed before data collection begins. In practical campaigns, however, experimentation may need to terminate early because additional measurements…

统计方法学 · 统计学 2026-05-29 Chen Cheng , Xun Huan

Active learning agents typically employ a query selection algorithm which solely considers the agent's learning objectives. However, this may be insufficient in more realistic human domains. This work uses imitation learning to enable an…

机器学习 · 计算机科学 2019-07-02 Kalesha Bullard , Yannick Schroecker , Sonia Chernova

Active learning aims to obtain a classifier of high accuracy by using fewer label requests in comparison to passive learning by selecting effective queries. Many active learning methods have been developed in the past two decades, which…

机器学习 · 计算机科学 2016-08-08 Cem Orhan , Öznur Taştan

In this paper, we suggest a novel data-driven approach to active learning (AL). The key idea is to train a regressor that predicts the expected error reduction for a candidate sample in a particular learning state. By formulating the query…

机器学习 · 计算机科学 2017-07-17 Ksenia Konyushkova , Raphael Sznitman , Pascal Fua

Active learning is the iterative construction of a classification model through targeted labeling, enabling significant labeling cost savings. As most research on active learning has been carried out before transformer-based language models…

计算与语言 · 计算机科学 2022-03-22 Christopher Schröder , Andreas Niekler , Martin Potthast

Deep learning's success has been attributed to the training of large, overparameterized models on massive amounts of data. As this trend continues, model training has become prohibitively costly, requiring access to powerful computing…

机器学习 · 计算机科学 2021-11-25 Ravi S Raju , Kyle Daruwalla , Mikko Lipasti

Active learning (AL) is a widely-used training strategy for maximizing predictive performance subject to a fixed annotation budget. In AL one iteratively selects training examples for annotation, often those for which the current model is…

机器学习 · 计算机科学 2019-11-05 David Lowell , Zachary C. Lipton , Byron C. Wallace

Early stopping is a widely used technique to prevent poor generalization performance when training an over-expressive model by means of gradient-based optimization. To find a good point to halt the optimizer, a common practice is to split…

机器学习 · 计算机科学 2017-06-07 Maren Mahsereci , Lukas Balles , Christoph Lassner , Philipp Hennig