Ye Yuan

Davis Rempe, Zhengyi Luo, Xue Bin Peng et al. · cmu

We introduce a method for generating realistic pedestrian trajectories and full-body animations that can be controlled to meet user-defined goals. We draw on recent advances in guided diffusion modeling to achieve test-time controllability of trajectories, which is normally only associated with rule-based systems. Our guided diffusion model allows users to constrain trajectories through target waypoints, speed, and specified social groups while accounting for the surrounding environment context. This trajectory diffusion model is integrated with a novel physics-based humanoid controller to form a closed-loop, full-body pedestrian animation system capable of placing large crowds in a simulated environment with varying terrains. We further propose utilizing the value function learned during RL training of the animation controller to guide diffusion to produce trajectories better suited for particular scenarios such as collision avoidance and traversing uneven terrain. Video results are available on the project page at https://nv-tlabs.github.io/trace-pace .

Zhengyi Luo, Ye Yuan, Kris M. Kitani · cmu

Automatically designing virtual humans and humanoids holds great potential in aiding the character creation process in games, movies, and robots. In some cases, a character creator may wish to design a humanoid body customized for certain motions such as karate kicks and parkour jumps. In this work, we propose a humanoid design framework to automatically generate physically valid humanoid bodies conditioned on sequence(s) of pre-specified human motions. First, we learn a generalized humanoid controller trained on a large-scale human motion dataset that features diverse human motion and body shapes. Second, we use a design-and-control framework to optimize a humanoid's physical attributes to find body designs that can better imitate the pre-specified human motion sequence(s). Leveraging the pre-trained humanoid controller and physics simulation as guidance, our method is able to discover new humanoid designs that are customized to perform pre-specified human motions.

Yang Zhang, Zhewei Wei, Ye Yuan et al.

Predicting the binding sites of target proteins plays a fundamental role in drug discovery. Most existing deep-learning methods consider a protein as a 3D image by spatially clustering its atoms into voxels and then feed the voxelized protein into a 3D CNN for prediction. However, the CNN-based methods encounter several critical issues: 1) defective in representing irregular protein structures; 2) sensitive to rotations; 3) insufficient to characterize the protein surface; 4) unaware of protein size shift. To address the above issues, this work proposes EquiPocket, an E(3)-equivariant Graph Neural Network (GNN) for binding site prediction, which comprises three modules: the first one to extract local geometric information for each surface atom, the second one to model both the chemical and spatial structure of protein and the last one to capture the geometry of the surface via equivariant message passing over the surface atoms. We further propose a dense attention output layer to alleviate the effect incurred by variable protein size. Extensive experiments on several representative benchmarks demonstrate the superiority of our framework to the state-of-the-art methods.

Yuda Song, Ye Yuan, Wen Sun et al. · cmu

The interaction between a vehicle navigation system and the driver of the vehicle can be formulated as a model-based reinforcement learning problem, where the navigation systems (agent) must quickly adapt to the characteristics of the driver (environmental dynamics) to provide the best sequence of turn-by-turn driving instructions. Most modern day navigation systems (e.g, Google maps, Waze, Garmin) are not designed to personalize their low-level interactions for individual users across a wide range of driving styles (e.g., vehicle type, reaction time, level of expertise). Towards the development of personalized navigation systems that adapt to a variety of driving styles, we propose an online no-regret model-based RL method that quickly conforms to the dynamics of the current user. As the user interacts with it, the navigation system quickly builds a user-specific model, from which navigation commands are optimized using model predictive control. By personalizing the policy in this way, our method is able to give well-timed driving instructions that match the user's dynamics. Our theoretical analysis shows that our method is a no-regret algorithm and we provide the convergence rate in the agnostic setting. Our empirical analysis with 60+ hours of real-world user data using a driving simulator shows that our method can reduce the number of collisions by more than 60%.

Roel Dobbe, Stephan Liu, Ye Yuan et al.

Discrete-time linear time-varying (LTV) systems form a powerful class of models to approximate complex dynamical systems with nonlinear dynamics for the purpose of analysis, design and control. Motivated by inference of spatio-temporal dynamics in breast cancer research, we propose a method to efficiently solve an identification problem for a specific class of discrete-time LTV systems, in which the states are fully observed and there is no access to system inputs. In addition, it is assumed that we do not know on which states the inputs act, which can change between time steps, and that the total number of inputs is sparse over all states and over time. The problem is formulated as a compressive sensing problem, which incorporates the effect of measurement noise and which has a solution with a partially sparse support. We derive sufficient conditions for the unique recovery of the system model and input values, which lead to practical conditions on the number of experiments and rank conditions on system outputs. Synthetic experiments analyze the method's sensitivity to noise for randomly generated models.

Rongqing Li, Jiaqi Yu, Changsheng Li et al.

Deep learning models are usually black boxes when deployed on machine learning platforms. Prior works have shown that the attributes ($e.g.$, the number of convolutional layers) of a target black-box neural network can be exposed through a sequence of queries. There is a crucial limitation: these works assume the dataset used for training the target model to be known beforehand and leverage this dataset for model attribute attack. However, it is difficult to access the training dataset of the target black-box model in reality. Therefore, whether the attributes of a target black-box model could be still revealed in this case is doubtful. In this paper, we investigate a new problem of Domain-agnostic Reverse Engineering the Attributes of a black-box target Model, called DREAM, without requiring the availability of the target model's training dataset, and put forward a general and principled framework by casting this problem as an out of distribution (OOD) generalization problem. In this way, we can learn a domain-agnostic model to inversely infer the attributes of a target black-box model with unknown training data. This makes our method one of the kinds that can gracefully apply to an arbitrary domain for model attribute reverse engineering with strong generalization ability. Extensive experimental studies are conducted and the results validate the superiority of our proposed method over the baselines.