相关论文: Hamiltonian Graph Networks with ODE Integrators

Deep learning for predicting the electronic-structure Hamiltonian of quantum systems necessitates satisfying the covariance laws, among which achieving SO(3)-equivariance without sacrificing the non-linear expressive capability of networks…

In conventional ODE modelling coefficients of an equation driving the system state forward in time are estimated. However, for many complex systems it is practically impossible to determine the equations or interactions governing the…

Graph neural ordinary differential equations (Graph ODEs) extend graph learning from discrete message-passing layers to continuous-time representation flows. While it supports adaptive long-range propagation, we show that Graph ODEs with…

Hamiltonian mechanics is an effective tool to represent many physical processes with concise yet well-generalized mathematical expressions. A well-modeled Hamiltonian makes it easy for researchers to analyze and forecast many related…

Learning system dynamics directly from observations is a promising direction in machine learning due to its potential to significantly enhance our ability to understand physical systems. However, the dynamics of many real-world systems are…

The dominant paradigm for relation prediction in knowledge graphs involves learning and operating on latent representations (i.e., embeddings) of entities and relations. However, these embedding-based methods do not explicitly capture the…

There is a recent surge in the development of spatio-temporal forecasting models in the transportation domain. Long-range traffic forecasting, however, remains a challenging task due to the intricate and extensive spatio-temporal…

This paper proposes Hamiltonian Learning, a novel unified framework for learning with neural networks "over time", i.e., from a possibly infinite stream of data, in an online manner, without having access to future information. Existing…

The improvement of traffic efficiency at urban intersections receives strong research interest in the field of automated intersection management. So far, mostly non-learning algorithms like reservation or optimization-based ones were…

Data-driven graph learning models a network by determining the strength of connections between its nodes. The data refers to a graph signal which associates a value with each graph node. Existing graph learning methods either use simplified…

This paper proposes a novel approach to Hamiltonian simulation using Decision Diagrams (DDs), which are an exact representation based on exploiting redundancies in representations of quantum states and operations. While the simulation of…

Conventional neural networks are universal function approximators, but because they are unaware of underlying symmetries or physical laws, they may need impractically many training data to approximate nonlinear dynamics. Recently introduced…

We study the benefit of modern simulation-based inference to constrain particle interactions at the LHC. We explore ways to incorporate known physics structures into likelihood estimation, specifically morphing-aware estimation and…

Graphs are ubiquitous in modelling relational structures. Recent endeavours in machine learning for graph-structured data have led to many architectures and learning algorithms. However, the graph used by these algorithms is often…

This paper studies graphical model selection, i.e., the problem of estimating a graph of statistical relationships among a collection of random variables. Conventional graphical model selection algorithms are passive, i.e., they require all…

Because of the significant increase in size and complexity of the networks, the distributed computation of eigenvalues and eigenvectors of graph matrices has become very challenging and yet it remains as important as before. In this paper…

We focus on the task of future frame prediction in video governed by underlying physical dynamics. We work with models which are object-centric, i.e., explicitly work with object representations, and propagate a loss in the latent space.…

An emerging way of tackling the dimensionality issues arising in the modeling of a multivariate process is to assume that the inherent data structure can be captured by a graph. Nevertheless, though state-of-the-art graph-based methods have…

We propose a decentralized learning algorithm over a general social network. The algorithm leaves the training data distributed on the mobile devices while utilizing a peer to peer model aggregation method. The proposed algorithm allows…

Quantum simulators have the potential to solve quantum many-body problems that are beyond the reach of classical computers, especially when they feature long-range entanglement. To fulfill their prospects, quantum simulators must be fully…