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Data-driven approaches such as deep learning can result in predictive models for material properties with exceptional accuracy and efficiency. However, in many applications, data is sparse, severely limiting their accuracy and…
Power and thermal management are critical components of High-Performance-Computing (HPC) systems, due to their high power density and large total power consumption. The assessment of thermal dissipation by means of compact models directly…
The large-scale search for high-performing candidate 2D materials is limited to calculating a few simple descriptors, usually with first-principles density functional theory calculations. In this work, we alleviate this issue by extending…
Even though superconductivity has been studied intensively for more than a century, the vast majority of superconductivity research today is carried out in nearly the same manner as decades ago. That is, each study tends to focus on only a…
High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…
We present a simple deep learning-based framework commonly used in computer vision and demonstrate its effectiveness for cross-dataset transfer learning in mental imagery decoding tasks that are common in the field of Brain-Computer…
A deep neural network was developed for the purpose of predicting thermal conductivity with a case study performed on neutron irradiated nuclear fuel. Traditional thermal conductivity modeling approaches rely on existing theoretical…
Transmission electron diffraction is a powerful and versatile structural probe for the characterization of a broad range of materials, from nanocrystalline thin films to single crystals. With recent developments in fast electron detectors…
Deep learning has established the state of the art in multiple fields, including hyperspectral image analysis. However, training large-capacity learners to segment such imagery requires representative training sets. Acquiring such data is…
In this paper we present a new approach to content-based transfer learning for solving the data sparsity problem in cases when the users' preferences in the target domain are either scarce or unavailable, but the necessary information on…
This paper addresses the problem of transferring useful knowledge from a source network to predict node labels in a newly formed target network. While existing transfer learning research has primarily focused on vector-based data, in which…
Statistical learning of materials properties or functions so far starts with a largely silent, non-challenged step: the choice of the set of descriptive parameters (termed descriptor). However, when the scientific connection between the…
We investigate whether state-of-the-art classification features commonly used to distinguish electrons from jet backgrounds in collider experiments are overlooking valuable information. A deep convolutional neural network analysis of…
Advances in machine learning have led to the development of foundation models for atomistic materials chemistry, enabling quantum-accurate descriptions of interatomic forces across chemically diverse compounds at reduced computational cost.…
Based on classical statistical thermodynamics, we develop a theoretical approach that provides new insight into how macroscopic and microscopic physical properties are bridged via crystal lattice for condensed mat- ters. We find that in…
Precise load forecasting in buildings could increase the bill savings potential and facilitate optimized strategies for power generation planning. With the rapid evolution of computer science, data-driven techniques, in particular the Deep…
Recently, machine learning has emerged as an alternative, powerful approach for predicting quantum-mechanical properties of molecules and solids. Here, using kernel ridge regression and atomic fingerprints representing local environments of…
The goal of transfer learning is to improve the performance of target learning task by leveraging information (or transferring knowledge) from other related tasks. In this paper, we examine the problem of transfer distance metric learning…
Faults in HVAC systems degrade thermal comfort and energy efficiency in buildings and have received significant attention from the research community, with data driven methods gaining in popularity. Yet the lack of labeled data, such as…