With global translation or rotation applied to a trajectory of molecular dynamics, the entire trajectory still describes the same dynamics and the generative model should estimate the same likelihood.

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static structures, neglecting the fact that physical systems are always dynamic in nature. In this work, we propose geometric trajectory diffusion models (GeoTDM), the first diffusion model for modeling the temporal distribution of 3D geometric trajectories. Modeling such distribution is challenging as it requires capturing both the complex spatial interactions with physical symmetries and temporal correspondence encapsulated in the dynamics. We theoretically justify that diffusion models with equivariant temporal kernels can lead to density with desired symmetry, and develop a novel transition kernel leveraging SE(3)-equivariant spatial convolution and temporal attention. Furthermore, to induce an expressive trajectory distribution for conditional generation, we introduce a generalized learnable geometric prior into the forward diffusion process to enhance temporal conditioning. We conduct extensive experiments on both unconditional and conditional generation in various scenarios, including physical simulation, molecular dynamics, and pedestrian motion. Empirical results on a wide suite of metrics demonstrate that GeoTDM can generate realistic geometric trajectories with significantly higher quality.

Navigating mobile robots through environments shared with humans is challenging. From the perspective of the robot, humans are dynamic obstacles that must be avoided. These obstacles make the collision-free space nonconvex, which leads to two distinct passing behaviors per obstacle (passing left or right). For local planners, such as receding-horizon trajectory optimization, each behavior presents a local optimum in which the planner can get stuck. This may result in slow or unsafe motion even when a better plan exists. In this work, we identify trajectories for multiple locally optimal driving behaviors, by considering their topology. This identification is made consistent over successive iterations by propagating the topology information. The most suitable high-level trajectory guides a local optimization-based planner, resulting in fast and safe motion plans. We validate the proposed planner on a mobile robot in simulation and real-world experiments.