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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

Direct numerical simulation of hierarchical materials via homogenization-based concurrent multiscale models poses critical challenges for 3D large scale engineering applications, as the computation of highly nonlinear and path-dependent…

Computational Engineering, Finance, and Science · Computer Science 2022-12-29 Shiguang Deng

Active learning (AL) is a machine learning algorithm that can achieve greater accuracy with fewer labeled training instances, for having the ability to ask oracles to label the most valuable unlabeled data chosen iteratively and…

Machine Learning · Computer Science 2022-09-30 Ruoyu Wang

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

Designing an inexpensive approximate surrogate model that captures the salient features of an expensive high-fidelity behavior is a prevalent approach in design optimization. In recent times, Deep Learning (DL) models are being used as a…

Machine Learning · Computer Science 2022-07-12 Harsh Vardhan , Janos Sztipanovits

Active learning seeks to reduce the amount of data required to fit the parameters of a model, thus forming an important class of techniques in modern machine learning. However, past work on active learning has largely overlooked latent…

Machine Learning · Computer Science 2024-02-20 Aditi Jha , Zoe C. Ashwood , Jonathan W. Pillow

Subspace clustering is a growing field of unsupervised learning that has gained much popularity in the computer vision community. Applications can be found in areas such as motion segmentation and face clustering. It assumes that data…

Machine Learning · Statistics 2019-11-12 Hankui Peng , Nicos G. Pavlidis

Cutting-plane methods are well-studied localization(and optimization) algorithms. We show that they provide a natural framework to perform machinelearning ---and not just to solve optimization problems posed by machinelearning--- in…

Machine Learning · Computer Science 2015-08-13 Liva Ralaivola , Ugo Louche

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…

The discovery of new energetic materials is critical for advancing technologies from defense to private industry. However, experimental approaches remain slow and expensive while computational alternatives require accurate material property…

Ordering the selection of training data using active learning can lead to improvements in learning efficiently from smaller corpora. We present an exploration of active learning approaches applied to three grounded language problems of…

Robotics · Computer Science 2020-11-17 Nisha Pillai , Edward Raff , Francis Ferraro , Cynthia Matuszek

Active learning is a promising paradigm to reduce the labeling cost by strategically requesting labels to improve model performance. However, existing active learning methods often rely on expensive acquisition function to compute,…

Machine Learning · Computer Science 2023-10-27 Zixin Ding , Si Chen , Ruoxi Jia , Yuxin Chen

We address the problem of efficient phase diagram sampling by adopting active learning techniques from machine learning, and achieve an 80% reduction in the sample size (number of sampled statepoints) needed to establish the phase boundary…

Computational Physics · Physics 2018-03-12 Chengyu Dai , Isaac R. Bruss , Sharon C. Glotzer

Autonomous physical science is revolutionizing materials science. In these systems, machine learning controls experiment design, execution, and analysis in a closed loop. Active learning, the machine learning field of optimal experiment…

Materials Science · Physics 2022-04-13 Alex Wang , Haotong Liang , Austin McDannald , Ichiro Takeuchi , A. Gilad Kusne

A computational workflow, also known as workflow, consists of tasks that are executed in a certain order to attain a specific computational campaign. Computational workflows are commonly employed in science domains, such as physics,…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-13 Krishnan Raghavan , George Papadimitriou , Hongwei Jin , Anirban Mandal , Mariam Kiran , Prasanna Balaprakash , Ewa Deelman

Active learning is a subfield of machine learning, in which the learning algorithm is allowed to choose the data from which it learns. In some cases, it has been shown that active learning can yield an exponential gain in the number of…

Machine Learning · Computer Science 2020-12-22 Ori Kelner

The earth observation industry provides satellite imagery with high spatial resolution and short revisit time. To allow efficient operational employment of these images, automating certain tasks has become necessary. In the defense domain,…

Artificial Intelligence · Computer Science 2022-02-11 Julie Imbert , Gohar Dashyan , Alex Goupilleau , Tugdual Ceillier , Marie-Caroline Corbineau

Solving partial differential equations (PDEs) is a fundamental problem in science and engineering. While neural PDE solvers can be more efficient than established numerical solvers, they often require large amounts of training data that is…

Machine Learning · Computer Science 2025-03-25 Daniel Musekamp , Marimuthu Kalimuthu , David Holzmüller , Makoto Takamoto , Mathias Niepert

Hardware compute power has been growing at an unprecedented rate in recent years. The utilization of such advancements plays a key role in producing better results in less time -- both in academia and industry. However, merging the existing…

Machine Learning · Computer Science 2021-10-19 Vineeth S

Computer experiments are often performed to allow modeling of a response surface of a physical experiment that can be too costly or difficult to run except using a simulator. Running the experiment over a dense grid can be prohibitively…

Applications · Statistics 2009-05-25 Robert B. Gramacy , Herbert K. H. Lee
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