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Beyond the conventional trial-and-error method, machine learning offers a great opportunity to accelerate the discovery of functional materials, but still often suffers from difficulties such as limited materials data and unbalanced…

Materials Science · Physics 2021-08-23 Xing-Yu Ma , Hou-Yi Lyu , Kuan-Rong Hao , Zhen-Gang Zhu , Qing-Bo Yan , Gang Su

Bayesian inference allows machine learning models to express uncertainty. Current machine learning models use only a single learnable parameter combination when making predictions, and as a result are highly overconfident when their…

Machine Learning · Computer Science 2022-02-23 Andrew Wood , Moshik Hershcovitch , Daniel Waddington , Sarel Cohen , Peter Chin

Learning from demonstration (LfD) is an intuitive framework allowing non-expert users to easily (re-)program robots. However, the quality and quantity of demonstrations have a great influence on the generalization performances of LfD…

Robotics · Computer Science 2020-08-07 Hakan Girgin , Emmanuel Pignat , Noémie Jaquier , Sylvain Calinon

Gaussian Process Latent Variable Models (GPLVMs) have become increasingly popular for unsupervised tasks such as dimensionality reduction and missing data recovery due to their flexibility and non-linear nature. An importance-weighted…

Machine Learning · Computer Science 2026-03-10 Jian Xu , Shian Du , Junmei Yang , Qianli Ma , Delu Zeng , John Paisley

This paper proposes a receding horizon active learning and control problem for dynamical systems in which Gaussian Processes (GPs) are utilized to model the system dynamics. The active learning objective in the optimization problem is…

Systems and Control · Electrical Eng. & Systems 2021-05-13 Viet-Anh Le , Truong X. Nghiem

Active learning optimizes the exploration of large parameter spaces by strategically selecting which experiments or simulations to conduct, thus reducing resource consumption and potentially accelerating scientific discovery. A key…

Machine Learning · Computer Science 2024-05-20 Maxim Ziatdinov

We study the average case performance of multi-task Gaussian process (GP) regression as captured in the learning curve, i.e. the average Bayes error for a chosen task versus the total number of examples $n$ for all tasks. For GP covariances…

Machine Learning · Computer Science 2012-11-05 Simon R. F. Ashton , Peter Sollich

We present prompt distribution learning for effectively adapting a pre-trained vision-language model to address downstream recognition tasks. Our method not only learns low-bias prompts from a few samples but also captures the distribution…

Computer Vision and Pattern Recognition · Computer Science 2022-05-09 Yuning Lu , Jianzhuang Liu , Yonggang Zhang , Yajing Liu , Xinmei Tian

Information theoretic active learning has been widely studied for probabilistic models. For simple regression an optimal myopic policy is easily tractable. However, for other tasks and with more complex models, such as classification with…

Machine Learning · Statistics 2011-12-30 Neil Houlsby , Ferenc Huszár , Zoubin Ghahramani , Máté Lengyel

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

We investigate active learning in Gaussian Process state-space models (GPSSM). Our problem is to actively steer the system through latent states by determining its inputs such that the underlying dynamics can be optimally learned by a…

Machine Learning · Computer Science 2021-08-03 Hon Sum Alec Yu , Dingling Yao , Christoph Zimmer , Marc Toussaint , Duy Nguyen-Tuong

In this letter, we present a novel Gaussian Process Learning-based Probabilistic Optimal Power Flow (GP-POPF) for solving POPF under renewable and load uncertainties of arbitrary distribution. The proposed method relies on a non-parametric…

Systems and Control · Electrical Eng. & Systems 2020-04-17 Parikshit Pareek , Hung D. Nguyen

In this paper, a new approach for classification of target task using limited labeled target data as well as enormous unlabeled source data is proposed which is called self-taught learning. The target and source data can be drawn from…

Computer Vision and Pattern Recognition · Computer Science 2017-10-13 Parvin Razzaghi

Uncertainty computation in deep learning is essential to design robust and reliable systems. Variational inference (VI) is a promising approach for such computation, but requires more effort to implement and execute compared to…

Machine Learning · Statistics 2018-08-03 Mohammad Emtiyaz Khan , Didrik Nielsen , Voot Tangkaratt , Wu Lin , Yarin Gal , Akash Srivastava

Active learning methods for emulating complex computer models that rely on stationary Gaussian processes tend to produce design points that uniformly fill the entire experimental region, which can be wasteful for functions which vary only…

Methodology · Statistics 2025-07-16 Shangkun Wang , V. Roshan Joseph

Active learning is proposed for selection of the next operating points in the design of experiments, for identifying linear parameter-varying systems. We extend existing approaches found in literature to multiple-input multiple-output…

Systems and Control · Electrical Eng. & Systems 2020-05-05 Robert Chin , Alejandro I. Maass , Nalika Ulapane , Chris Manzie , Iman Shames , Dragan Nešić , Jonathan E. Rowe , Hayato Nakada

Machine learned force fields typically require manual construction of training sets consisting of thousands of first principles calculations, which can result in low training efficiency and unpredictable errors when applied to structures…

Computational Physics · Physics 2019-11-21 Jonathan Vandermause , Steven B. Torrisi , Simon Batzner , Yu Xie , Lixin Sun , Alexie M. Kolpak , Boris Kozinsky

Gaussian process regression is a powerful method for predicting states based on given data. It has been successfully applied for probabilistic predictions of structural systems to quantify, for example, the crack growth in mechanical…

Machine Learning · Statistics 2022-06-20 Simon Pfingstl , Markus Zimmermann

Leveraging the wealth of unlabeled data produced in recent years provides great potential for improving supervised models. When the cost of acquiring labels is high, probabilistic active learning methods can be used to greedily select the…

Machine Learning · Statistics 2021-02-09 Robert Pinsler , Jonathan Gordon , Eric Nalisnick , José Miguel Hernández-Lobato

We revisit the problem of distribution learning within the framework of learning-augmented algorithms. In this setting, we explore the scenario where a probability distribution is provided as potentially inaccurate advice on the true,…

Machine Learning · Computer Science 2025-02-03 Arnab Bhattacharyya , Davin Choo , Philips George John , Themis Gouleakis