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High-entropy alloys (HEAs) exhibit exceptional properties arising from a combination of thermodynamic, kinetic and structural factors and have found applications in numerous fields such as aerospace, energy, chemical industries, hydrogen…
When searching for novel inorganic materials, limiting the combination of constituent elements can greatly improve the search efficiency. In this study, we used machine learning to predict elemental combinations with high reactivity for…
The design of alloys is a multi-scale problem that requires a holistic approach that involves retrieving relevant knowledge, applying advanced computational methods, conducting experimental validations, and analyzing the results, a process…
Training machine learning models for classification tasks often requires labeling numerous samples, which is costly and time-consuming, especially in time series analysis. This research investigates Active Learning (AL) strategies to reduce…
Efficient data annotation remains a critical challenge in machine learning, particularly for object detection tasks requiring extensive labeled data. Active learning (AL) has emerged as a promising solution to minimize annotation costs by…
Active learning (AL) combines data labeling and model training to minimize the labeling cost by prioritizing the selection of high value data that can best improve model performance. In pool-based active learning, accessible unlabeled data…
We propose a new active learning by query synthesis approach using Generative Adversarial Networks (GAN). Different from regular active learning, the resulting algorithm adaptively synthesizes training instances for querying to increase…
This paper introduces an active learning approach to the fitting of machine learning interatomic potentials. Our approach is based on the D-optimality criterion for selecting atomic configurations on which the potential is fitted. It is…
Active learning (AL) strategies aim to train high-performance models with minimal labeling efforts, only selecting the most informative instances for annotation. Current approaches to evaluating data informativeness predominantly focus on…
Machine learning models excel with abundant annotated data, but annotation is often costly and time-intensive. Active learning (AL) aims to improve the performance-to-annotation ratio by using query methods (QMs) to iteratively select the…
Part qualification in additive manufacturing (AM) ensures that additively manufactured parts can be consistently produced and reliably used in critical applications. One crucial aspect of part qualification is to determine the complex…
To meet the demands for more adaptable and expedient approaches to augment both research and manufacturing, we report an autonomous system using real-time in-situ characterization and an autonomous, decision-making processer based on an…
One of the most challenging goals in designing intelligent systems is empowering them with the ability to synthesize programs from data. Namely, given specific requirements in the form of input/output pairs, the goal is to train a machine…
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…
Alloys present the great potential in catalysis because of their adjustable compositions, structures and element distributions, which unfortunately also limit the fast screening of the potential alloy catalysts. Machine learning methods are…
The first-principles-based effective Hamiltonian scheme provides one of the most accurate modeling technique for large-scale structures, especially for ferroelectrics. However, the parameterization of the effective Hamiltonian is…
The objective of this study is to evaluate whether the number of requisite training samples can be reduced with the use of various transfer learning models for predicting, for example, the chemical source terms of the data-driven…
Machine-learned coarse-grained (CG) potentials are fast, but degrade over time when simulations reach under-sampled bio-molecular conformations, and generating widespread all-atom (AA) data to combat this is computationally infeasible. We…
We propose a new active learning (AL) method for text classification with convolutional neural networks (CNNs). In AL, one selects the instances to be manually labeled with the aim of maximizing model performance with minimal effort. Neural…
Training robust deep learning (DL) systems for medical image classification or segmentation is challenging due to limited images covering different disease types and severity. We propose an active learning (AL) framework to select most…