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Accurate free energy representations are crucial for understanding phase dynamics in materials. We employ a scale-bridging approach to incorporate atomistic information into our free energy model by training a neural network on DFT-informed…

Computational Physics · Physics 2025-03-12 Jamie Holber , Krishna Garikipati

Data collection and labeling is one of the main challenges in employing machine learning algorithms in a variety of real-world applications with limited data. While active learning methods attempt to tackle this issue by labeling only the…

Machine Learning · Computer Science 2019-06-20 Erdem Bıyık , Kenneth Wang , Nima Anari , Dorsa Sadigh

Machine learning is attracting surging interest across nearly all scientific areas by enabling the analysis of large datasets and the extraction of scientific information from incomplete data. Data-driven science is rapidly growing,…

Applied Physics · Physics 2025-03-17 Sung Yun Lee , Do Hyung Cho , Chulho Jung , Daeho Sung , Daewoong Nam , Sangsoo Kim , Changyong Song

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

Data sampling acts as a pivotal role in training deep learning models. However, an effective sampling schedule is difficult to learn due to the inherently high dimension of parameters in learning the sampling schedule. In this paper, we…

Computer Vision and Pattern Recognition · Computer Science 2021-05-31 Ming Sun , Haoxuan Dou , Baopu Li , Lei Cui , Junjie Yan , Wanli Ouyang

Vulnerability detection is crucial for identifying security weaknesses in software systems. However, training effective machine learning models for this task is often constrained by the high cost and expertise required for data annotation.…

Cryptography and Security · Computer Science 2025-08-19 Xiang Lan , Tim Menzies , Bowen Xu

Network representation learning, as an approach to learn low dimensional representations of vertices, has attracted considerable research attention recently. It has been proven extremely useful in many machine learning tasks over large…

Machine Learning · Computer Science 2019-06-11 Hao Peng , Jianxin Li , Hao Yan , Qiran Gong , Senzhang Wang , Lin Liu , Lihong Wang , Xiang Ren

Recent years have witnessed amazing outcomes from "Big Models" trained by "Big Data". Most popular algorithms for model training are iterative. Due to the surging volumes of data, we can usually afford to process only a fraction of the…

Databases · Computer Science 2015-12-15 Jinyang Gao , H. V. Jagadish , Beng Chin Ooi

Training high-quality instance segmentation models requires an abundance of labeled images with instance masks and classifications, which is often expensive to procure. Active learning addresses this challenge by striving for optimum…

Computer Vision and Pattern Recognition · Computer Science 2023-09-29 Ke Yu , Stephen Albro , Giulia DeSalvo , Suraj Kothawade , Abdullah Rashwan , Sasan Tavakkol , Kayhan Batmanghelich , Xiaoqi Yin

Deep learning models are the state-of-the-art methods for semantic point cloud segmentation, the success of which relies on the availability of large-scale annotated datasets. However, it can be extremely time-consuming and prohibitively…

Computer Vision and Pattern Recognition · Computer Science 2021-04-13 Xian Shi , Xun Xu , Ke Chen , Lile Cai , Chuan Sheng Foo , Kui Jia

In supervised learning, acquiring labeled training data for a predictive model can be very costly, but acquiring a large amount of unlabeled data is often quite easy. Active learning is a method of obtaining predictive models with high…

Machine Learning · Computer Science 2020-12-17 Hideitsu Hino

The constitutive behavior of materials is modeled through relationships between stress, strain, and possibly additional internal variables. This results in relatively high-dimensional feature spaces for machine learning models rendering the…

Computational Physics · Physics 2026-05-20 Ronak Shoghi , Lukas Morand , Dirk Helm , Alexander Hartmaier

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 free energy landscapes of several fundamental processes are characterized by high barriers separating long-lived metastable states. In order to explore these type of landscapes enhanced sampling methods are used. While many such methods…

Chemical Physics · Physics 2019-04-12 Jayashrita Debnath , Michele Invernizzi , Michele Parrinello

Model reduction is an active research field to construct low-dimensional surrogate models of high fidelity to accelerate engineering design cycles. In this work, we investigate model reduction for linear structured systems using dominant…

Machine Learning · Statistics 2024-09-09 Celine Reddig , Pawan Goyal , Igor Pontes Duff , Peter Benner

For complex nonlinear systems, it is challenging to design algorithms that are fast, scalable, and give an accurate approximation of the stability region. This paper proposes a sampling-based approach to address these challenges. By…

Systems and Control · Electrical Eng. & Systems 2024-05-24 Péter Antal , Tamás Péni , Roland Tóth

Optimizing deep learning models requires large amounts of annotated images, a process that is both time-intensive and costly. Especially for semantic segmentation models in which every pixel must be annotated. A potential strategy to…

Computer Vision and Pattern Recognition · Computer Science 2024-04-04 Bart M. van Marrewijk , Charbel Dandjinou , Dan Jeric Arcega Rustia , Nicolas Franco Gonzalez , Boubacar Diallo , Jérôme Dias , Paul Melki , Pieter M. Blok

Layout hotpot detection is one of the main steps in modern VLSI design. A typical hotspot detection flow is extremely time consuming due to the computationally expensive mask optimization and lithographic simulation. Recent researches try…

Machine Learning · Computer Science 2018-07-18 Haoyu Yang , Shuhe Li , Cyrus Tabery , Bingqing Lin , Bei Yu

Sampling, grouping, and aggregation are three important components in the multi-scale analysis of point clouds. In this paper, we present a novel data-driven sampler learning strategy for point-wise analysis tasks. Unlike the widely used…

Computer Vision and Pattern Recognition · Computer Science 2022-05-06 Yiqun Lin , Lichang Chen , Haibin Huang , Chongyang Ma , Xiaoguang Han , Shuguang Cui

A framework is introduced for actively and adaptively solving a sequence of machine learning problems, which are changing in bounded manner from one time step to the next. An algorithm is developed that actively queries the labels of the…

Machine Learning · Computer Science 2018-05-31 Yuheng Bu , Jiaxun Lu , Venugopal V. Veeravalli