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Deep learning-based approaches, particularly graph neural networks (GNNs), have gained prominence in simulating flexible deformations and contacts of solids, due to their ability to handle unstructured physical fields and nonlinear…

The early prediction of battery life (EPBL) is vital for enhancing the efficiency and extending the lifespan of lithium batteries. Traditional models with fixed architectures often encounter underfitting or overfitting issues due to the…

This paper outlines a new approach to designing tunable electromagnetic (EM) graphene-based metasurfaces using convolutional neural networks (CNNs). EM metasurfaces have previously been used to manipulate EM waves by adjusting the local…

Learning distributions over graph-structured data is a challenging task with many applications in biology and chemistry. In this work we use an energy-based model (EBM) based on multi-channel graph neural networks (GNN) to learn permutation…

Multi-frequency Electrical Impedance Tomography (mfEIT) represents a promising biomedical imaging modality that enables the estimation of tissue conductivities across a range of frequencies. Addressing this challenge, we present a novel…

Facial beauty prediction (FBP) is an important and challenging problem in the fields of computer vision and machine learning. Not only it is easily prone to overfitting due to the lack of large-scale and effective data, but also difficult…

We show how machine learning techniques based on Bayesian inference can be used to reach new levels of realism in the computer simulation of molecular materials, focusing here on water. We train our machine-learning algorithm using…

Modeling gas flow through fractures of subsurface rock is a particularly challenging problem because of the heterogeneous nature of the material. High-fidelity simulations using discrete fracture network (DFN) models are one methodology for…

Physics-Informed Neural Networks (PINNs) offer a promising approach to solving differential equations and, more generally, to applying deep learning to problems in the physical sciences. We adopt a recently developed transfer learning…

Energy-based models (EBMs) are a simple yet powerful framework for generative modeling. They are based on a trainable energy function which defines an associated Gibbs measure, and they can be trained and sampled from via well-established…

Recently, the superior performance of Transformers has made them a more robust and scalable solution for sequence modeling than traditional recurrent neural networks (RNNs). However, the effectiveness of Transformer in capturing long-term…

Graph Neural Networks (GNNs) have been widely employed for feature representation learning in molecular graphs. Therefore, it is crucial to enhance the expressiveness of feature representation to ensure the effectiveness of GNNs. However, a…

Deep learning models for brain tumor analysis require large and diverse datasets that are often siloed across healthcare institutions due to privacy regulations. We present a federated learning framework for brain tumor localization that…

Solving the Schr\"odinger equation is key to many quantum mechanical properties. However, an analytical solution is only tractable for single-electron systems. Recently, neural networks succeeded at modeling wave functions of many-electron…

An innovative physics-guided learning algorithm for predicting the mechanical response of materials and structures is proposed in this paper. The key concept of the proposed study is based on the fact that physics models are governed by…

Physics-based deep learning frameworks have shown to be effective in accurately modeling the dynamics of complex physical systems with generalization capability across problem inputs. However, time-independent problems pose the challenge of…

This study introduces simple yet effective continuous- and discrete-variable quantum neural network (QNN) models as a transfer-learning approach for forecasting tasks. The CV-QNN features a single quantum layer with two qubits to establish…

Despite their widespread use, purely data-driven methods often suffer from overfitting, lack of physical consistency, and high data dependency, particularly when physical constraints are not incorporated. This study introduces a novel data…

Molecular adsorption on surfaces plays a central role in catalysis, corrosion, desalination, and many other processes of relevance to industry and the natural world. Few adsorption systems are more ubiquitous or of more widespread…

Quantum Graph Neural Networks (QGNNs) offer a promising approach to combining quantum computing with graph-structured data processing. While classical Graph Neural Networks (GNNs) are scalable and robust, existing QGNNs often lack…