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There is intense interest in uncovering design rules that govern the formation of various structural phases as a function of chemical composition in multi-principal element alloys (MPEAs). In this paper, we develop a machine learning (ML)…

Laser machining is a highly flexible non-contact manufacturing technique that has been employed widely across academia and industry. Due to nonlinear interactions between light and matter, simulation methods are extremely crucial, as they…

Machine learning (ML) is widely used to explore crystal materials and predict their properties. However, the training is time-consuming for deep-learning models, and the regression process is a black box that is hard to interpret. Also, the…

We study the theoretical and practical runtime limits of k-means and k-median clustering on large datasets. Since effectively all clustering methods are slower than the time it takes to read the dataset, the fastest approach is to quickly…

Clustering is a fundamental unsupervised learning approach. Many clustering algorithms -- such as $k$-means -- rely on the euclidean distance as a similarity measure, which is often not the most relevant metric for high dimensional data…

Clustering is one of the main tasks in exploratory data analysis and descriptive statistics where the main objective is partitioning observations in groups. Clustering has a broad range of application in varied domains like climate,…

K-means is one of the most widely used clustering algorithms in various disciplines, especially for large datasets. However the method is known to be highly sensitive to initial seed selection of cluster centers. K-means++ has been proposed…

k-means has recently been recognized as one of the best algorithms for clustering unsupervised data. Since k-means depends mainly on distance calculation between all data points and the centers, the time cost will be high when the size of…

Hydrogen diffusion in metals and alloys plays an important role in the discovery of new materials for fuel cell and energy storage technology. While analytic models use hand-selected features that have clear physical ties to hydrogen…

The present study proposes clustering techniques for designing demand response (DR) programs for commercial and residential prosumers. The goal is to alter the consumption behavior of the prosumers within a distributed energy community in…

Cluster analysis which focuses on the grouping and categorization of similar elements is widely used in various fields of research. Inspired by the phenomenon of atomic fission, a novel density-based clustering algorithm is proposed in this…

K-means (MacQueen, 1967) [1] is one of the simplest unsupervised learning algorithms that solve the well-known clustering problem. The procedure follows a simple and easy way to classify a given data set to a predefined, say K number of…

We use a random forest model to predict the critical cooling rate (RC) for glass formation of various alloys from features of their constituent elements. The random forest model was trained on a database that integrates multiple sources of…

Nowadays, manufacturing sectors harness the power of machine learning and data science algorithms to make predictions for the optimization of mechanical and microstructure properties of fabricated mechanical components. The application of…

We study supervised learning problems using clustering constraints to impose structure on either features or samples, seeking to help both prediction and interpretation. The problem of clustering features arises naturally in text…

We propose a clustering-based iterative algorithm to solve certain optimization problems in machine learning, where we start the algorithm by aggregating the original data, solving the problem on aggregated data, and then in subsequent…

We present a proof of concept that machine learning techniques can be used to predict the properties of CNOHF energetic molecules from their molecular structures. We focus on a small but diverse dataset consisting of 109 molecular…

Identifying anomalies in the fuel consumption of the vehicles of a fleet is a crucial aspect for optimizing consumption and reduce costs. However, this information alone is insufficient, since fleet operators need to know the causes behind…

This research investigates how Machine Learning (ML) algorithms can assist in workload allocation strategies by detecting tasks with node affinity operators (referred to as constraint operators), which constrain their execution to a limited…

Among ensemble clustering methods, Evidence Accumulation Clustering is one of the simplest technics. In this approach, a co-association (CA) matrix representing the co-clustering frequency is built and then clustered to extract consensus…