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Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…
Statistical learning is the process of estimating an unknown probabilistic input-output relationship of a system using a limited number of observations. A statistical learning machine (SLM) is the algorithm, function, model, or rule, that…
Connecting multiple machine learning models into a pipeline is effective for handling complex problems. By breaking down the problem into steps, each tackled by a specific component model of the pipeline, the overall solution can be made…
Sintering, as a thermal process at elevated temperature below the melting point, is widely used to bond contacting particles into engineering products such as ceramics, metals, polymers, and cemented carbides. Modelling and simulation as…
The in vitro clonogenic assay is a technique to study the ability of a cell to form a colony in a culture dish. By optical imaging, dishes with stained colonies can be scanned and assessed digitally. Identification, segmentation and…
We describe a technique for reconstruction of the four-dimensional transverse phase space of a beam in an accelerator beamline, taking into account the presence of unknown errors on the strengths of magnets used in the data collection. Use…
We recently developed a deep learning method that can determine the critical peak stress of a material by looking at scanning electron microscope (SEM) images of the material's crystals. However, it has been somewhat unclear what kind of…
To detect and segment objects in images based on their content is one of the most active topics in the field of computer vision. Nowadays, this problem can be addressed using Deep Learning architectures such as Faster R-CNN or YOLO, among…
The development of novel materials in recent years has been accelerated greatly by the use of computational modelling techniques aimed at elucidating the complex physics controlling microstructure formation in materials, the properties of…
Phase diagrams are an invaluable tool for material synthesis and provide information on the phases of the material at any given thermodynamic condition. Conventional phase diagram generation involves experimentation to provide an initial…
Quantum machine learning (QML) is expected to offer new opportunities to process high-dimensional data efficiently by exploiting the exponentially large state space of quantum systems. In this work, we apply quantum extreme reservoir…
A first principles machine learning model has been developed aimed at studying the formation of calcium carbonate from aqueous solution using molecular dynamics simulations. The model, dubbed SCAN-ML, reproduces accurately the potential…
We explore the application of computer vision and machine learning (ML) techniques to predict material properties (e.g. compressive strength) based on SEM images. We show that it's possible to train ML models to predict materials…
Polaron defects are ubiquitous in materials and play an important role in many processes involving carrier mobility, charge transfer and surface reactivity. Determining the spatial distribution of small polarons is essential to understand…
Leveraging scanning tunneling microscopy (STM) for atomic-scale fabrication has led to many advancements such as the creation of atomic electron-spin qubit structures on surfaces. However, the time-consuming and tedious nature of this…
Understanding structure-property relationships in complex materials requires integrating complementary measurements across multiple length scales. Here we propose an interpretable "multimodal" machine learning framework that unifies…
Safety-critical infrastructures, such as bridges, are periodically inspected to check for existing damage, such as fatigue cracks and corrosion, and to guarantee the safe use of the infrastructure. Visual inspection is the most frequent…
Determining the phase diagram of systems consisting of smaller subsystems 'connected' via a tunable coupling is a challenging task relevant for a variety of physical settings. A general question is whether new phases, not present in the…
We use machine learning algorithms to detect the crystalline phase in undercooled melts in molecular dynamics simulations. Our classification method is based on local conformation and environmental fingerprints of individual monomers. In…
The area of Machine learning (ML) has seen exceptional growth in recent years. Successful implementation of ML methods in various branches of physics has led to new insights. These methods have been shown to classify phases in condensed…