16.1CVJun 20, 2023
Lipschitz Singularities in Diffusion ModelsZhantao Yang, Ruili Feng, Han Zhang et al. · tsinghua
Diffusion models, which employ stochastic differential equations to sample images through integrals, have emerged as a dominant class of generative models. However, the rationality of the diffusion process itself receives limited attention, leaving the question of whether the problem is well-posed and well-conditioned. In this paper, we explore a perplexing tendency of diffusion models: they often display the infinite Lipschitz property of the network with respect to time variable near the zero point. We provide theoretical proofs to illustrate the presence of infinite Lipschitz constants and empirical results to confirm it. The Lipschitz singularities pose a threat to the stability and accuracy during both the training and inference processes of diffusion models. Therefore, the mitigation of Lipschitz singularities holds great potential for enhancing the performance of diffusion models. To address this challenge, we propose a novel approach, dubbed E-TSDM, which alleviates the Lipschitz singularities of the diffusion model near the zero point of timesteps. Remarkably, our technique yields a substantial improvement in performance. Moreover, as a byproduct of our method, we achieve a dramatic reduction in the Fréchet Inception Distance of acceleration methods relying on network Lipschitz, including DDIM and DPM-Solver, by over 33%. Extensive experiments on diverse datasets validate our theory and method. Our work may advance the understanding of the general diffusion process, and also provide insights for the design of diffusion models.
AutoMat: Enabling Automated Crystal Structure Reconstruction from Microscopy via Agentic Tool UseYaotian Yang, Yiwen Tang, Yizhe Chen et al.
Machine learning-based interatomic potentials and force fields depend critically on accurate atomic structures, yet such data are scarce due to the limited availability of experimentally resolved crystals. Although atomic-resolution electron microscopy offers a potential source of structural data, converting these images into simulation-ready formats remains labor-intensive and error-prone, creating a bottleneck for model training and validation. We introduce AutoMat, an end-to-end, agent-assisted pipeline that automatically transforms scanning transmission electron microscopy (STEM) images into atomic crystal structures and predicts their physical properties. AutoMat combines pattern-adaptive denoising, physics-guided template retrieval, symmetry-aware atomic reconstruction, fast relaxation and property prediction via MatterSim, and coordinated orchestration across all stages. We propose the first dedicated STEM2Mat-Bench for this task and evaluate performance using lattice RMSD, formation energy MAE, and structure-matching success rate. By orchestrating external tool calls, AutoMat enables a text-only LLM to outperform vision-language models in this domain, achieving closed-loop reasoning throughout the pipeline. In large-scale experiments over 450 structure samples, AutoMat substantially outperforms existing multimodal large language models and tools. These results validate both AutoMat and STEM2Mat-Bench, marking a key step toward bridging microscopy and atomistic simulation in materials science.The code and dataset are publicly available at https://github.com/yyt-2378/AutoMat and https://huggingface.co/datasets/yaotianvector/STEM2Mat.
10.9ROSep 23, 2018
Augmented Reality Predictive Displays to Help Mitigate the Effects of Delayed TelesurgeryFlorian Richter, Yifei Zhang, Yuheng Zhi et al.
Surgical robots offer the exciting potential for remote telesurgery, but advances are needed to make this technology efficient and accurate to ensure patient safety. Achieving these goals is hindered by the deleterious effects of latency between the remote operator and the bedside robot. Predictive displays have found success in overcoming these effects by giving the operator immediate visual feedback. However, previously developed predictive displays can not be directly applied to telesurgery due to the unique challenges in tracking the 3D geometry of the surgical environment. In this paper, we present the first predictive display for teleoperated surgical robots. The predicted display is stereoscopic, utilizes Augmented Reality (AR) to show the predicted motions alongside the complex tissue found in-situ within surgical environments, and overcomes the challenges in accurately tracking slave-tools in real-time. We call this a Stereoscopic AR Predictive Display (SARPD). To test the SARPD's performance, we conducted a user study with ten participants on the da Vinci\textregistered{} Surgical System. The results showed with statistical significance that using SARPD decreased time to complete task while having no effect on error rates when operating under delay.