Hongyi Lin

Shang Zhu, Bharath Ramsundar, Emil Annevelink et al.

Electrolytes play a critical role in designing next-generation battery systems, by allowing efficient ion transfer, preventing charge transfer, and stabilizing electrode-electrolyte interfaces. In this work, we develop a differentiable geometric deep learning (GDL) model for chemical mixtures, DiffMix, which is applied in guiding robotic experimentation and optimization towards fast-charging battery electrolytes. In particular, we extend mixture thermodynamic and transport laws by creating GDL-learnable physical coefficients. We evaluate our model with mixture thermodynamics and ion transport properties, where we show improved prediction accuracy and model robustness of DiffMix than its purely data-driven variants. Furthermore, with a robotic experimentation setup, Clio, we improve ionic conductivity of electrolytes by over 18.8% within 10 experimental steps, via differentiable optimization built on DiffMix gradients. By combining GDL, mixture physics laws, and robotic experimentation, DiffMix expands the predictive modeling methods for chemical mixtures and enables efficient optimization in large chemical spaces.

Hongyi Lin, Wenxiu Shi, Heye Huang et al.

Generating safety-critical driving scenarios is crucial for evaluating and improving autonomous driving systems, but long-tail risky situations are rarely observed in real-world data and difficult to specify through manual scenario design. Existing generative approaches typically treat risk as an after-the-fact label and struggle to maintain geometric consistency in multi-view driving scenes. We present RiskMV-DPO, a general and systematic pipeline for physically-informed, risk-controllable multi-view scenario generation. By integrating target risk levels with physically-grounded risk modeling, we autonomously synthesize diverse and high-stakes dynamic trajectories that serve as explicit geometric anchors for a diffusion-based video generator. To ensure spatial-temporal coherence and geometric fidelity, we introduce a geometry-appearance alignment module and a region-aware direct preference optimization (RA-DPO) strategy with motion-aware masking to focus learning on localized dynamic regions.Experiments on the nuScenes dataset show that RiskMV-DPO can freely generate a wide spectrum of diverse long-tail scenarios while maintaining state-of-the-art visual quality, improving 3D detection mAP from 18.17 to 30.50 and reducing FID to 15.70. Our work shifts the role of world models from passive environment prediction to proactive, risk-controllable synthesis, providing a scalable toolchain for the safety-oriented development of embodied intelligence.

Hongyi Lin, Yang Liu, Jinhua Zhao et al.

Foundation models are increasingly integrated into embodied intelligence systems, but directly assigning them structured prediction tasks requires precise geometric and numerical estimation, where specialized models often remain stronger. This capability mismatch raises a key question: should foundation models replace task-specific predictors, or should they collaborate through tasks better aligned with their strengths? We propose FAT, a foundation-model-augmented task-specific reasoning framework that treats collaboration as task decomposition rather than model replacement. FAT decomposes structured prediction into specialist prediction, information-space reconstruction, and foundation-model proxy reasoning. The specialist generates geometrically and physically valid hypotheses in the native output space, while the foundation model performs a bounded proxy task, such as selection or verification, over reconstructed multimodal candidates. We instantiate this principle as ProxySelect with a vision--language model. Across 2D object detection, 3D object detection, trajectory prediction, and semantic segmentation, ProxySelect consistently improves specialized baselines and substantially outperforms direct foundation-model regression at lower computational cost. These results suggest a general collaboration principle: specialized models preserve task-specific structure, while foundation models refine their hypotheses through contextual proxy reasoning.

Emil Annevelink, Rachel Kurchin, Eric Muckley et al.

Large-scale electrification is vital to addressing the climate crisis, but several scientific and technological challenges remain to fully electrify both the chemical industry and transportation. In both of these areas, new electrochemical materials will be critical, but their development currently relies heavily on human-time-intensive experimental trial and error and computationally expensive first-principles, meso-scale and continuum simulations. We present an automated workflow, AutoMat, that accelerates these computational steps by introducing both automated input generation and management of simulations across scales from first principles to continuum device modeling. Furthermore, we show how to seamlessly integrate multi-fidelity predictions such as machine learning surrogates or automated robotic experiments "in-the-loop". The automated framework is implemented with design space search techniques to dramatically accelerate the overall materials discovery pipeline by implicitly learning design features that optimize device performance across several metrics. We discuss the benefits of AutoMat using examples in electrocatalysis and energy storage and highlight lessons learned.