RIVA: Efficient relational inference with variate attention.

Abstract

Interactive systems are omnipresent across various domains, ranging from dynamic systems in physics to intricate societal dynamics. Relational inference aims to uncover implicit interactions between components based on observed system trajectories. Existing neural relational inference methods rely on fully connected graphs for message passing, leading to computational inefficiency and redundant message passing. While Transformer-based models excel in multivariate time series forecasting, their contextual attention mechanism disrupts the integrity and independence of dynamics in time-invariant relational inference. Besides, the implicit interactions should have non-trivial correlations with the attention coefficients, yet how to read out an explicit interaction graph from Transformer also still needs to be explored. In this study, we propose RIVA, a novel relational inference model with a variate attention mechanism. Unlike contextual attention in vanilla Transformer, which encodes multiple variables at the same time point as a single token, RIVA encodes entire dynamics. Furthermore, we incorporate the inferred graph structure as a mask in the causal attention, allowing each variable to effectively aggregate features from its neighbors and greatly enhancing the model's ability to capture complex interactions. Through extensive experimental evaluations, RIVA demonstrates superior performance in time-invariant continuous interaction inference and future state prediction, outperforming existing methods and providing highly accurate predictions in dynamic environments.