相关论文: Complete-Graph Tensor Network States: A New Fermio…

Fully convolutional network (FCN) is a seminal work for semantic segmentation. However, due to its limited receptive field, FCN cannot effectively capture global context information which is vital for semantic segmentation. As a result, it…

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

Graphene and its multilayers have attracted considerable interest owing to the fourfold spin and valley degeneracy of their charge carriers, which enables the formation of a rich variety of broken-symmetry states and raises the prospect of…

We introduce a new class of states for bosonic quantum fields which extend tensor network states to the continuum and generalize continuous matrix product states (cMPS) to spatial dimensions $d\geq 2$. By construction, they are Euclidean…

Graph Neural Networks (GNNs) effectively learn from relational data by leveraging graph symmetries. However, many real-world systems -- such as biological or social networks -- feature multi-way interactions that GNNs fail to capture.…

This study benchmarks the GFN family of semiempirical methods (GFN1-xTB, GFN2-xTB, GFN0-xTB, and GFN-FF) against density functional theory (DFT) for the evaluation of optimized molecular geometries and electronic properties of small organic…

The irregular and multi-modal nature of numerous modern data sources poses serious challenges for traditional deep learning algorithms. To this end, recent efforts have generalized existing algorithms to irregular domains through graphs,…

We consider gradient descent and quasi-Newton algorithms to optimize the full configuration interaction (FCI) ground state wavefunction starting from an arbitrary reference state $|0 \rangle$. We show that the energies obtained along the…

We explore absolutely maximal entanglement (AME) and k-uniformity in continuous-variable (CV) quantum systems, and show that-unlike in qudit systems-such entanglement is readily realizable in both Gaussian and non-Gaussian quantum states of…

We describe a class of neuralized fermionic tensor network states (NN-fTNS) that introduce non-linearity into fermionic tensor networks through configuration-dependent neural network transformations of the local tensors. The construction…

The prediction of physicochemical properties from molecular structures is a crucial task for artificial intelligence aided molecular design. A growing number of Graph Neural Networks (GNNs) have been proposed to address this challenge.…

Recurrent Neural Networks (RNNs) are among the most successful machine learning models for sequence modelling, but tend to suffer from an exponential increase in the number of parameters when dealing with large multidimensional data. To…

Exercising direct control over the unusual electronic structures arising from quantum confinement effects in graphene nanoribbons (GNRs) - atomically defined quasi one-dimensional (1D) strips of graphene - is intimately linked to geometric…

We address a fundamental problem in chemistry known as chemical reaction product prediction. Our main insight is that the input reactant and reagent molecules can be jointly represented as a graph, and the process of generating product…

We examine the use of string diagrams and the mathematics of category theory in the description of quantum states by tensor networks. This approach lead to a unification of several ideas, as well as several results and methods that have not…

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Large, multi-dimensional clusters of entangled photons are among the most powerful resources for emerging quantum technologies, as they are predicted to enable global quantum networks or universal quantum computation. Here, we propose an…

Spectral graph convolutional neural networks (CNNs) require approximation to the convolution to alleviate the computational complexity, resulting in performance loss. This paper proposes the topology adaptive graph convolutional network…

Despite the omnipresence of tensors and tensor operations in modern deep learning, the use of tensor mathematics to formally design and describe neural networks is still under-explored within the deep learning community. To this end, we…

We devise an all-optical scheme for the generation of entangled multimode photonic states encoded in temporal modes of light. The scheme employs a nonlinear down-conversion process in an optical loop to generate one- and higher-dimensional…