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Much research in recent years has focused on using empirical machine learning approaches to extract useful insights on the structure-property relationships of superconductor material. Notably, these approaches are bringing extreme benefits…
Predicting structural and energetic properties of a molecular system is one of the fundamental tasks in molecular simulations, and it has use cases in chemistry, biology, and medicine. In the past decade, the advent of machine learning…
The melting temperature is important for materials design because of its relationship with thermal stability, synthesis, and processing conditions. Current empirical and computational melting point estimation techniques are limited in…
Ensembles of climate models are commonly used to improve climate predictions and assess the uncertainties associated with them. Weighting the models according to their performances holds the promise of further improving their predictions.…
The length and time scales of atomistic simulations are limited by the computational cost of the methods used to predict material properties. In recent years there has been great progress in the use of machine learning algorithms to develop…
Accurately modeling the friction torque in robotic joints has long been challenging due to the request for a robust mathematical description. Traditional model-based approaches are often labor-intensive, requiring extensive experiments and…
Click-through rate (CTR) prediction plays an important role in online advertising systems. On the one hand, traditional CTR prediction models capture the collaborative signals in tabular data via feature interaction modeling, but they lose…
Recently, machine-learning approaches have accelerated computational materials design and the search for advanced solid electrolytes. However, the predictors are currently limited to static structural parameters, which may not fully account…
In this work, deep neural networks made up of multiple hidden Long Short-Term Memory (LSTM) and Feedforward layers are trained to predict the thermal behavior of the joint motors of robot manipulators. A model-free and scalable approach is…
Superconductors, which are crucial for modern advanced technologies due to their zero-resistance properties, are limited by low Tc and the difficulty of accurate prediction. This article made the initial endeavor to apply machine learning…
Polymers, integral to advancements in high-tech fields, necessitate the study of their thermal conductivity (TC) to enhance material attributes and energy efficiency. The TC of polymers obtained by molecular dynamics (MD) calculations and…
Symbolic regression is a technique that can automatically derive analytic models from data. Traditionally, symbolic regression has been implemented primarily through genetic programming that evolves populations of candidate solutions…
Efficient and precise calculations of thermal transport properties and figure of merit, alongside a deep comprehension of thermal transport mechanisms, are essential for the practical utilization of advanced thermoelectric materials. In…
Computer Algebra Systems (e.g. Maple) are used in research, education, and industrial settings. One of their key functionalities is symbolic integration, where there are many sub-algorithms to choose from that can affect the form of the…
Although significant progress achieved, multi-label classification is still challenging due to the complexity of correlations among different labels. Furthermore, modeling the relationships between input and some (dull) classes further…
A better understanding of dispersion in natural streams requires knowledge of longitudinal dispersion coefficient(LDC). Various methods have been proposed for predictions of LDC. Those studies can be grouped into three types: analytical,…
The typical way for relation extraction is fine-tuning large pre-trained language models on task-specific datasets, then selecting the label with the highest probability of the output distribution as the final prediction. However, the usage…
Multi-Task Learning (MTL) involves the concurrent training of multiple tasks, offering notable advantages for dense prediction tasks in computer vision. MTL not only reduces training and inference time as opposed to having multiple…
Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…
Symbolic regression is the task of identifying a mathematical expression that best fits a provided dataset of input and output values. Due to the richness of the space of mathematical expressions, symbolic regression is generally a…