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Following the development of digitization, a growing number of large Original Equipment Manufacturers (OEMs) are adapting computer vision or natural language processing in a wide range of applications such as anomaly detection and quality…

Machine learning models commonly exhibit unexpected failures post-deployment due to either data shifts or uncommon situations in the training environment. Domain experts typically go through the tedious process of inspecting the failure…

Machine learning has recently been applied and deployed at several light source facilities in the domain of Accelerator Physics. We introduce an approach based on machine learning to produce a fast-executing model that predicts the…

A key task in the emerging field of materials informatics is to use machine learning to predict a material's properties and functions. A fast and accurate predictive model allows researchers to more efficiently identify or construct a…

Databases compiled using ab-initio and symmetry-based calculations now contain tens of thousands of topological insulators and topological semimetals. This makes the application of modern machine learning methods to topological materials…

We examine the optical properties of a system of nano and micro particles of varying size, shape, and material (including metals and dielectrics, and sub-wavelength and super-wavelength regimes). Training data is generated by numerically…

Machine Learning (ML) has impacted numerous areas of materials science, most prominently improving molecular simulations, where force fields were trained on previously relaxed structures. One natural next step is to predict material…

Effective properties of materials with random heterogeneous structures are typically determined by homogenising the mechanical quantity of interest in a window of observation. The entire problem setting encompasses the solution of a local…

This paper explores learning emulators for parameter estimation with uncertainty estimation of high-dimensional dynamical systems. We assume access to a computationally complex simulator that inputs a candidate parameter and outputs a…

This paper provides a short overview of how to use machine learning to build data-driven models in fluid mechanics. The process of machine learning is broken down into five stages: (1) formulating a problem to model, (2) collecting and…

Conventional wisdom of materials modelling stipulates that both chemical composition and crystal structure are integral in the prediction of physical properties. However, recent developments challenge this by reporting accurate…

Many machine learning models have important structural tuning parameters that cannot be directly estimated from the data. The common tactic for setting these parameters is to use resampling methods, such as cross--validation or the…

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Foundational Machine Learning Potentials can resolve the accuracy and transferability limitations of classical force fields. They enable microscopic insights into material behavior through Molecular Dynamics simulations, which can crucially…

The detection of phase transitions is a fundamental challenge in condensed matter physics, traditionally addressed through analytical methods and direct numerical simulations. In recent years, machine learning techniques have emerged as…

The parameters of a machine learning model are typically learned by minimizing a loss function on a set of training data. However, this can come with the risk of overtraining; in order for the model to generalize well, it is of great…

The choice of the parameter value for regularized inverse problems is critical to the results and remains a topic of interest. This article explores a criterion for selecting a good parameter value by maximizing the probability of the data,…

We describe DeepMachining, a deep learning-based AI system for online prediction of machining errors of lathe machine operations. We have built and evaluated DeepMachining based on manufacturing data from factories. Specifically, we first…

Machine Learning (ML) is of increasing interest for modeling parametric effects in manufacturing processes. But this approach is limited to established processes for which a deep physics-based understanding has been developed over time,…

We propose and show the efficacy of a new method to address generic inverse problems. Inverse modeling is the task whereby one seeks to determine the control parameters of a natural system that produce a given set of observed measurements.…