Related papers: Neural Network Matrix Product Operator: A Multi-Di…

Accurate potential energy surfaces (PESs) have been determined for the $^3$A$'$ and $^3$A$''$ states of N$_2$O using electronic structure calculations at the multireference configuration interaction level with Davidson correction (MRCI+Q)…

Hyperparameter optimization (HPO) is of paramount importance in the development of high-performance, specialized artificial intelligence (AI) models, ranging from well-established machine learning (ML) solutions to the deep learning (DL)…

Physics-informed neural networks (PINNs) have been proven as a promising way for solving various partial differential equations, especially high-dimensional ones and those with irregular boundaries. However, their capabilities in real…

Neural operators have emerged as an efficient paradigm for solving PDEs, overcoming the limitations of traditional numerical methods and significantly improving computational efficiency. However, due to the diversity and complexity of PDE…

Machine learned interatomic potentials, particularly equivariant message-passing (MP) models, have demonstrated high fidelity in representing first-principles data, revolutionizing computational studies in materials science, biophysics, and…

3D pose estimation is a challenging but important task in computer vision. In this work, we show that standard deep learning approaches to 3D pose estimation are not robust when objects are partially occluded or viewed from a previously…

The adoption of intelligent systems with Artificial Neural Networks (ANNs) embedded in hardware for real-time applications currently faces a growing demand in fields like the Internet of Things (IoT) and Machine to Machine (M2M). However,…

In this paper, we propose and study neural network based methods for solutions of high-dimensional quadratic porous medium equation (QPME). Three variational formulations of this nonlinear PDE are presented: a strong formulation and two…

Predicting the microstructural and morphological evolution of materials through phase-field modelling is computationally intensive, particularly for high-throughput parametric studies. While neural operators such as the Fourier neural…

Although physics-informed neural networks (PINNs) have shown great potential in dealing with nonlinear partial differential equations (PDEs), it is common that PINNs will suffer from the problem of insufficient precision or obtaining…

Oxide-water interfaces govern a wide range of physical and chemical processes fundamental to many fields like catalysis, geochemistry, corrosion, electrochemistry, and sensor technology. Near solid oxide surfaces, water behaves differently…

Machine-learned interatomic potentials can offer near first-principles accuracy but are computationally expensive, limiting their application to large-scale molecular dynamics simulations. Inspired by quantum mechanics/molecular mechanics…

The goals of this paper are two-fold. The first goal is to serve as an expository tutorial on the working of deep learning models which emphasizes geometrical intuition about the reasons for success of deep learning. The second goal is to…

In neural combinatorial optimization (CO), reinforcement learning (RL) can turn a deep neural net into a fast, powerful heuristic solver of NP-hard problems. This approach has a great potential in practical applications because it allows…

Maximum Inner Product Search (MIPS) for high-dimensional vectors is pivotal across databases, information retrieval, and artificial intelligence. Existing methods either reduce MIPS to Nearest Neighbor Search (NNS) while suffering from…

Deep learning has been extensively employed as a powerful function approximator for modeling physics-based problems described by partial differential equations (PDEs). Despite their popularity, standard deep learning models often demand…

We introduce a sampling based machine learning approach, Monte Carlo physics informed neural networks (MC-PINNs), for solving forward and inverse fractional partial differential equations (FPDEs). As a generalization of physics informed…

Machine learned interatomic potentials (MLIPs) are becoming a standard method for DFT-level accurate molecular dynamics simulation and large-scale studies of crystal energetics. Increasingly popular are universal pre-trained potentials,…

We show that any matrix product state (MPS) can be exactly represented by a recurrent neural network (RNN) with a linear memory update. We generalize this RNN architecture to 2D lattices using a multilinear memory update. It supports…

This paper explores the potential of aerial reconfigurable intelligent surfaces (ARIS) to enhance coordinated multi-point non-orthogonal multiple access (CoMP-NOMA) networks. We consider a system model where a UAV-mounted RIS assists in…