论文标题
通过图形神经网络通过轨迹预测来学习异质互动强度
Learning Heterogeneous Interaction Strengths by Trajectory Prediction with Graph Neural Network
论文作者
论文摘要
具有相互作用剂的动力学系统本质上是普遍的，通常由其成分之间的关系图建模。最近，已经提出了各种工作，以解决通过深层神经网络从系统轨迹中推断这些关系的问题，但是大多数研究都假设二进制或离散类型的相互作用类型为简单。在现实世界中，相互作用内核通常涉及连续的相互作用强度，而离散关系不能准确地近似。在这项工作中，我们提出关系专注的推理网络（RAIN），以推断出无需任何地面相互作用强度的连续加权相互作用图。我们的模型采用新型的成对注意（PA）机制来完善轨迹表示形式和图形变压器来为每对药物提取异质相互作用权重。我们表明，使用PA机制的雨模型准确地以无监督的方式为模拟物理系统的连续相互作用强度。此外，带有PA的降雨成功地通过可解释的交互图预测了运动捕获数据的轨迹，证明了用连续权重对未知动力学进行建模的优点。
Dynamical systems with interacting agents are universal in nature, commonly modeled by a graph of relationships between their constituents. Recently, various works have been presented to tackle the problem of inferring those relationships from the system trajectories via deep neural networks, but most of the studies assume binary or discrete types of interactions for simplicity. In the real world, the interaction kernels often involve continuous interaction strengths, which cannot be accurately approximated by discrete relations. In this work, we propose the relational attentive inference network (RAIN) to infer continuously weighted interaction graphs without any ground-truth interaction strengths. Our model employs a novel pairwise attention (PA) mechanism to refine the trajectory representations and a graph transformer to extract heterogeneous interaction weights for each pair of agents. We show that our RAIN model with the PA mechanism accurately infers continuous interaction strengths for simulated physical systems in an unsupervised manner. Further, RAIN with PA successfully predicts trajectories from motion capture data with an interpretable interaction graph, demonstrating the virtue of modeling unknown dynamics with continuous weights.
