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The saddle point (SP) calculation is a grand challenge for computationally intensive energy function in computational chemistry area, where the saddle point may represent the transition state (TS). The traditional methods need to evaluate…

Machine Learning · Statistics 2022-11-08 Shuting Gu , Hongqiao Wang , Xiang Zhou

Multiple Instance Learning (MIL) is a weakly supervised learning paradigm that is becoming increasingly popular because it requires less labeling effort than fully supervised methods. This is especially interesting for areas where the…

Machine Learning · Computer Science 2023-02-09 Arne Schmidt , Pablo Morales-Álvarez , Rafael Molina

Active learning is a subfield of machine learning that focuses on improving the data collection efficiency of expensive-to-evaluate systems. Especially, active learning integrated surrogate modeling has shown remarkable performance in…

Machine Learning · Computer Science 2023-04-19 Cheolhei Lee , Kaiwen Wang , Jianguo Wu , Wenjun Cai , Xiaowei Yue

We build a theoretical framework for designing and understanding practical meta-learning methods that integrates sophisticated formalizations of task-similarity with the extensive literature on online convex optimization and sequential…

Machine Learning · Computer Science 2019-12-10 Mikhail Khodak , Maria-Florina Balcan , Ameet Talwalkar

Reinforcement learning for multi-goal robot manipulation tasks poses significant challenges due to the diversity and complexity of the goal space. Techniques such as Hindsight Experience Replay (HER) have been introduced to improve learning…

Robotics · Computer Science 2025-06-17 Yingyi Kuang , Luis J. Manso , George Vogiatzis

Global sensitivity analysis is the main quantitative technique for identifying the most influential input variables in a numerical simulation model. In particular when the inputs are independent, Sobol' sensitivity indices attribute a…

Statistics Theory · Mathematics 2021-01-15 Sébastien da Veiga

Generative adversarial imitation learning (GAIL) is a popular inverse reinforcement learning approach for jointly optimizing policy and reward from expert trajectories. A primary question about GAIL is whether applying a certain policy…

Machine Learning · Computer Science 2020-06-26 Ziwei Guan , Tengyu Xu , Yingbin Liang

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

Reinforcement learning faces significant challenges when applied to tasks characterized by sparse reward structures. Although imitation learning, within the domain of supervised learning, offers faster convergence, it relies heavily on…

Machine Learning · Computer Science 2025-09-04 Zeqiang Zhang , Fabian Wurzberger , Gerrit Schmid , Sebastian Gottwald , Daniel A. Braun

The presence of uncertainties are inevitable in engineering design and analysis, where failure in understanding their effects might lead to the structural or functional failure of the systems. The role of global sensitivity analysis in this…

Computation · Statistics 2017-10-24 Pramudita Satria Palar , Lavi Rizki Zuhal , Koji Shimoyama , Takeshi Tsuchiya

We introduce a novel adaptive Gaussian Process Regression (GPR) methodology for efficient construction of surrogate models for Bayesian inverse problems with expensive forward model evaluations. An adaptive design strategy focuses on…

Numerical Analysis · Mathematics 2024-05-01 Paolo Villani , Jörg Unger , Martin Weiser

Multi-modal learning aims to enhance performance by unifying models from various modalities but often faces the "modality imbalance" problem in real data, leading to a bias towards dominant modalities and neglecting others, thereby limiting…

Computer Vision and Pattern Recognition · Computer Science 2024-04-15 Yang Yang , Hongpeng Pan , Qing-Yuan Jiang , Yi Xu , Jinghui Tang

Active learning aims to reduce labeling efforts by selectively asking humans to annotate the most important data points from an unlabeled pool and is an example of human-machine interaction. Though active learning has been extensively…

Machine Learning · Computer Science 2020-01-31 Hongjing Zhang , S. S. Ravi , Ian Davidson

Global sensitivity analysis of a numerical code, more specifically estimation of Sobol indices associated with input variables, generally requires a large number of model runs. When those demand too much computation time, it is necessary to…

Analysis of PDEs · Mathematics 2012-01-16 Alexandre Janon , Maëlle Nodet , Clémentine Prieur

We study a fundamental learning problem over multiple groups with unknown data distributions, where an analyst would like to learn the mean of each group. Moreover, we want to ensure that this data is collected in a relatively fair manner…

Machine Learning · Computer Science 2025-05-22 Abdellah Aznag , Rachel Cummings , Adam N. Elmachtoub

Global sensitivity analysis aims at determining which uncertain input parameters of a computational model primarily drives the variance of the output quantities of interest. Sobol' indices are now routinely applied in this context when the…

Computation · Statistics 2017-05-30 R. Schöbi , B. Sudret

We investigate the use of derivative information for Batch Active Learning in Gaussian Process regression models. The proposed approach employs the predictive covariance matrix for selection of data batches to exploit full correlation of…

Machine Learning · Computer Science 2024-08-06 Hon Sum Alec Yu , Christoph Zimmer , Duy Nguyen-Tuong

In this paper, we introduce a novel method designed to enhance label efficiency in satellite imagery analysis by integrating semi-supervised learning (SSL) with active learning strategies. Our approach utilizes contrastive learning together…

Computer Vision and Pattern Recognition · Computer Science 2024-06-26 David Pogorzelski , Peter Arlinghaus , Wenyan Zhang

Active learning selects the most informative samples to exploit limited annotation budgets. Existing work follows a cumbersome pipeline that repeats the time-consuming model training and batch data selection multiple times. In this paper,…

Computer Vision and Pattern Recognition · Computer Science 2022-03-22 Yichen Xie , Masayoshi Tomizuka , Wei Zhan

Active Learning aims to optimize performance while minimizing annotation costs by selecting the most informative samples from an unlabelled pool. Traditional uncertainty sampling often leads to sampling bias by choosing similar uncertain…

Machine Learning · Computer Science 2024-11-27 Tejaswi Kasarla , Abhishek Jha , Faye Tervoort , Rita Cucchiara , Pascal Mettes