相关论文: Hamiltonian Graph Networks with ODE Integrators

Machine learning surrogate models of Kohn-Sham Density Functional Theory Hamiltonians provide a powerful tool for accelerating the prediction of electronic properties of materials, such as electronic band structures and density of states.…

State-space models effectively model multivariate time series by updating over time a representation of the system state from which predictions are made. The state representation is usually a vector without any explicit structure.…

Low-dimensional embeddings of nodes in large graphs have proved extremely useful in a variety of prediction tasks, from content recommendation to identifying protein functions. However, most existing approaches require that all nodes in the…

In real-world robotics applications, accurate models of robot dynamics are critical for safe and stable control in rapidly changing operational conditions. This motivates the use of machine learning techniques to approximate robot dynamics…

We introduce a simple initial working system in which relations (such as part-whole) are directly represented via an architecture with operating and learning rules fundamentally distinct from standard artificial neural network methods.…

Learning models of dynamical systems with external inputs, which may be, for example, nonsmooth or piecewise, is crucial for studying complex phenomena and predicting future state evolution, which is essential for applications such as…

Graph neural networks use relational information as an inductive bias to enhance prediction performance. Not rarely, task-relevant relations are unknown and graph structure learning approaches have been proposed to learn them from data.…

An inductive probabilistic classification rule must generally obey the principles of Bayesian predictive inference, such that all observed and unobserved stochastic quantities are jointly modeled and the parameter uncertainty is fully…

Although reinforcement learning has been successfully applied in many domains in recent years, we still lack agents that can systematically generalize. While relational inductive biases that fit a task can improve generalization of RL…

This work studies networked agents cooperating to track a dynamical state of nature under partial information. The proposed algorithm is a distributed Bayesian filtering algorithm for finite-state hidden Markov models (HMMs). It can be used…

Can general-purpose AI architectures go beyond prediction to discover the physical laws governing the universe? True intelligence relies on "world models" -- causal abstractions that allow an agent to not only predict future states but…

The Hamiltonian formalism plays a central role in classical and quantum physics. Hamiltonians are the main tool for modelling the continuous time evolution of systems with conserved quantities, and they come equipped with many useful…

Enabling robots to perform complex dynamic tasks such as picking up an object in one sweeping motion or pushing off a wall to quickly turn a corner is a challenging problem. The dynamic interactions implicit in these tasks are critical…

A semi-parametric, non-linear regression model in the presence of latent variables is applied towards learning network graph structure. These latent variables can correspond to unmodeled phenomena or unmeasured agents in a complex system of…

Motivated by the need to study the molecular mechanism underlying Type 1 Diabetes (T1D) with the gene expression data collected from both the patients and healthy controls at multiple time points, we propose an innovative method for jointly…

Often, deep network models are purely inductive during training and while performing inference on unseen data. Thus, when such models are used for predictions, it is well known that they often fail to capture the semantic information and…

Robust heteroclinic networks are invariant sets that can appear as attractors in symmetrically coupled or otherwise constrained dynamical systems. These networks may have a very complicated structure that is poorly understood and determined…

Machine learning provides algorithms that can learn from data and make inferences or predictions on data. Bayesian networks are a class of graphical models that allow to represent a collection of random variables and their condititional…

Representing graphs as sets of node embeddings in certain curved Riemannian manifolds has recently gained momentum in machine learning due to their desirable geometric inductive biases, e.g., hierarchical structures benefit from hyperbolic…

World models have recently re-emerged as a central paradigm for embodied intelligence, robotics, autonomous driving, and model-based reinforcement learning. However, current world model research is often dominated by three partially…