Related papers: Learning local equivariant representations for qua…

Biologically inspired algorithms for simultaneous localization and mapping (SLAM) such as RatSLAM have been shown to yield effective and robust robot navigation in both indoor and outdoor environments. One drawback however is the…

Multisite local orbitals, which are formed from linear combinations of pseudo-atomic orbitals from a target atom and its neighbor atoms, have been introduced in the large-scale density functional theory calculation code CONQUEST. Multisite…

Multiview Self-Supervised Learning (MSSL) is based on learning invariances with respect to a set of input transformations. However, invariance partially or totally removes transformation-related information from the representations, which…

Cross-platform verification, a critical undertaking in the realm of early-stage quantum computing, endeavors to characterize the similarity of two imperfect quantum devices executing identical algorithms, utilizing minimal measurements.…

The marriage of density functional theory (DFT) and deep learning methods has the potential to revolutionize modern computational materials science. Here we develop a deep neural network approach to represent DFT Hamiltonian (DeepH) of…

The Matrix-Element Method (MEM) has long been a cornerstone of data analysis in high-energy physics. It leverages theoretical knowledge of parton-level processes and symmetries to evaluate the likelihood of observed events. In parallel, the…

We propose a new, more actionable view of neural network interpretability and data analysis by leveraging the remarkable matching effectiveness of representations derived from deep networks, guided by an approach for class-conditional…

Structure-informed protein representation learning is essential for effective protein function annotation and \textit{de novo} design. However, the presence of inherent noise in both crystal and AlphaFold-predicted structures poses…

Deep neural networks have demonstrated promising potential for the field of medical image reconstruction. In this work, an MRI reconstruction algorithm, which is referred to as quantitative susceptibility mapping (QSM), has been developed…

In this paper, we propose an artificial intelligence (AI)-enhanced hybrid simultaneous localization and mapping (SLAM) method that performs Bayesian inference directly on raw radio-frequency (RF) signals while learning an environment model…

As the foundation of driverless vehicle and intelligent robots, Simultaneous Localization and Mapping(SLAM) has attracted much attention these days. However, non-geometric modules of traditional SLAM algorithms are limited by data…

Coupled multiphysics simulations for high-dimensional, large-scale problems can be prohibitively expensive due to their computational demands. This article presents a novel framework integrating a deep operator network (DeepONet) with the…

Supervised deep learning models depend on massive labeled data. Unfortunately, it is time-consuming and labor-intensive to collect and annotate bitemporal samples containing desired changes. Transfer learning from pre-trained models is…

We consider the prediction of the Hamiltonian matrix, which finds use in quantum chemistry and condensed matter physics. Efficiency and equivariance are two important, but conflicting factors. In this work, we propose a SE(3)-equivariant…

The Semantic Layered Embedding Diffusion (SLED) mechanism redefines the representation of hierarchical semantics within transformer-based architectures, enabling enhanced contextual consistency across a wide array of linguistic tasks. By…

Deep neural network (DNN)-based policy models, such as vision-language-action (VLA) models, excel at automating complex decision-making from multi-modal inputs. However, scaling these models greatly increases computational overhead,…

Recent research on Simultaneous Localization and Mapping (SLAM) based on implicit representation has shown promising results in indoor environments. However, there are still some challenges: the limited scene representation capability of…

In this paper, we introduce a novel self-supervised learning (SSL) loss for image representation learning. There is a growing belief that generalization in deep neural networks is linked to their ability to discriminate object shapes. Since…

Density functional theory (DFT) calculations determine the relaxed atomic positions and lattice parameters that minimize the formation energy of a structure. We present an equivariant graph neural network (EGNN) model to predict the outcome…

The non-equilibrium Green's function method combined with density functional theory (NEGF-DFT) provides a rigorous framework for simulating nanoscale electronic transport, but its computational cost scales steeply with system size. Recent…