Yulong Yang

Jiayin Liu, Yulong Yang, Vineet Bansal et al.

From metronomes to celestial bodies, mechanics underpins how the world evolves in time and space. With consideration of this, a number of recent neural network models leverage inductive biases from classical mechanics to encourage model interpretability and ensure forecasted states are physical. However, in general, these models are designed to capture the dynamics of a single system with fixed physical parameters, from state-space measurements of a known configuration space. In this paper we introduce Symplectic Phase Space GAN (SPS-GAN) which can capture the dynamics of multiple systems, and generalize to unseen physical parameters from. Moreover, SPS-GAN does not require prior knowledge of the system configuration space. In fact, SPS-GAN can discover the configuration space structure of the system from arbitrary measurement types (e.g., state-space measurements, video frames). To achieve physically plausible generation, we introduce a novel architecture which embeds a Hamiltonian neural network recurrent module in a conditional GAN backbone. To discover the structure of the configuration space, we optimize the conditional time-series GAN objective with an additional physically motivated term to encourages a sparse representation of the configuration space. We demonstrate the utility of SPS-GAN for trajectory prediction, video generation and symmetry discovery. Our approach captures multiple systems and achieves performance on par with supervised models designed for single systems.

Keqin Wang, Yulong Yang, Ishan Saha et al.

While graph neural networks (GNNs) have allowed researchers to successfully apply neural networks to non-Euclidean domains, deep GNNs often exhibit lower predictive performance than their shallow counterparts. This phenomena has been attributed in part to oversmoothing, the tendency of node representations to become increasingly similar with network depth. In this paper we introduce an analogy between oversmoothing in GNNs and consensus (i.e., perfect agreement) in the opinion dynamics literature. We show that the message passing algorithms of several GNN models are equivalent to linear opinion dynamics models which have been shown to converge to consensus for all inputs regardless of the graph structure. This new perspective on oversmoothing motivates the use of nonlinear opinion dynamics as an inductive bias in GNN models. In our Behavior-Inspired Message Passing (BIMP) GNN, we leverage the nonlinear opinion dynamics model which is more general than the linear opinion dynamics model, and can be designed to converge to dissensus for general inputs. Through extensive experiments we show that BIMP resists oversmoothing beyond 100 time steps and consistently outperforms existing architectures even when those architectures are amended with oversmoothing mitigation techniques. We also show that BIMP has several desirable properties including well behaved gradients and adaptability to homophilic and heterophilic datasets.

Yulong Yang, Bowen Feng, Keqin Wang et al.

From pedestrians to Kuramoto oscillators, interactions between agents govern how dynamical systems evolve in space and time. Discovering how these agents relate to each other has the potential to improve our understanding of the often complex dynamics that underlie these systems. Recent works learn to categorize relationships between agents based on observations of their physical behavior. These approaches model relationship categories as outcomes of a categorical distribution which is limiting and contrary to real-world systems, where relationship categories often intermingle and interact. In this work, we introduce a level of abstraction between the observable behavior of agents and the latent categories that determine their behavior. To do this, we learn a mapping from agent observations to agent preferences for a set of latent categories. The learned preferences and inter-agent proximity are integrated in a nonlinear opinion dynamics model, which allows us to naturally identify mutually exclusive categories, predict an agent's evolution in time, and control an agent's behavior. Through extensive experiments, we demonstrate the utility of our model for learning interpretable categories, and the efficacy of our model for long-horizon trajectory prediction.