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Highly accurate numerical or physical experiments are often time-consuming or expensive to obtain. When time or budget restrictions prohibit the generation of additional data, the amount of available samples may be too limited to provide…

Material extrusion is one of the most commonly used approaches within the additive manufacturing processes available. Despite its popularity and related technical advancements, process reliability and quality assurance remain only partially…

Machine learning (ML) entered the field of computational micromagnetics only recently. The main objective of these new approaches is the automatization of solutions of parameter-dependent problems in micromagnetism such as fast response…

Interacting defect systems are ubiquitous in materials under realistic scenarios, yet gaining an atomic-level understanding of these systems from a computational perspective is challenging - it often demands substantial resources due to the…

A key element in transfer learning is representation learning; if representations can be developed that expose the relevant factors underlying the data, then new tasks and domains can be learned readily based on mappings of these salient…

Designing models that produce accurate predictions is the fundamental objective of machine learning (ML). This work presents methods demonstrating that when the derivatives of target variables (outputs) with respect to inputs can be…

Quantitative descriptions of the structure-thermal property correlation have been a bottleneck in designing materials with superb thermal properties. In the past decade, the first-principles phonon calculations using density functional…

End-to-end learning has become a widely applicable and studied problem in training predictive ML models to be aware of their impact on downstream decision-making tasks. These end-to-end models often outperform traditional methods that…

All famous machine learning algorithms that comprise both supervised and semi-supervised learning work well only under a common assumption: the training and test data follow the same distribution. When the distribution changes, most…

As a critical component of coherent X-ray diffraction imaging (CDI), phase retrieval has been extensively applied in X-ray structural science to recover the 3D morphological information inside measured particles. Despite meeting all the…

Model-Agnostic Meta-Learning (MAML) is one of the most successful meta-learning techniques for few-shot learning. It uses gradient descent to learn commonalities between various tasks, enabling the model to learn the meta-initialization of…

This paper introduces a novel deep metric learning-based semi-supervised regression (DML-S2R) method for parameter estimation problems. The proposed DML-S2R method aims to mitigate the problems of insufficient amount of labeled samples…

High-precision predictions of nuclear properties are a central objective of ab initio nuclear structure theory. However, state-of-the-art many-body methods rely on truncated model spaces to render the nuclear many-body problem tractable,…

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

This study proposes an Artificial Intelligence (AI) driven methodology for predicting a combination of brazed ceramic-metal composite materials. Multiple machine learning (ML) algorithms are compared with the deep learning (DL) model. The…

Artificial intelligence (AI) and machine learning (ML) are increasingly used to generate data for downstream analyses, yet naively treating these predictions as true observations can lead to biased results and incorrect inference. Wang et…

In the upcoming years, artificial intelligence (AI) is going to transform the practice of medicine in most of its specialties. Deep learning can help achieve better and earlier problem detection, while reducing errors on diagnosis. By…

We introduce a statistical physics inspired supervised machine learning algorithm for classification and regression problems. The method is based on the invariances or stability of predicted results when known data is represented as…

This paper presents an explainable machine learning (ML) approach for predicting surface roughness in milling. Utilizing a dataset from milling aluminum alloy 2017A, the study employs random forest regression models and feature importance…

Neural scaling laws, which in some domains can predict the performance of large neural networks as a function of model, data, and compute scale, are the cornerstone of building foundation models in Natural Language Processing and Computer…