ChemBART: A Pre-trained BART Model Assisting Organic Chemistry Analysis

Recent advances in large language models (LLMs) have demonstrated transformative potential across diverse fields. While LLMs have been applied to molecular simplified molecular input line entry system (SMILES) in computer-aided synthesis planning (CASP), existing methodologies typically address single tasks, such as precursor prediction. We introduce ChemBART, a SMILES-based LLM pre-trained on chemical reactions, which enables a unified model for multiple downstream chemical tasks--achieving the paradigm of "one model, one pre-training, multiple tasks." By leveraging outputs from a mask-filling pre-training task on reaction expressions, ChemBART effectively solves a variety of chemical problems, including precursor/reagent generation, temperature-yield regression, molecular property classification, and optimizing the policy and value functions within a reinforcement learning framework, integrated with Monte Carlo tree search for multi-step synthesis route design. Unlike single-molecule pre-trained LLMs constrained to specific applications, ChemBART addresses broader chemical challenges and integrates them for comprehensive synthesis planning. Crucially, ChemBART-designed multi-step synthesis routes and reaction conditions directly inspired wet-lab validation, which confirmed shorter pathways with ~30% yield improvement over literature benchmarks. Our work validates the power of reaction-focused pre-training and showcases the broad utility of ChemBART in advancing the complete synthesis planning cycle.

TrackOcc: Camera-based 4D Panoptic Occupancy Tracking

Comprehensive and consistent dynamic scene understanding from camera input is essential for advanced autonomous systems. Traditional camera-based perception tasks like 3D object tracking and semantic occupancy prediction lack either spatial comprehensiveness or temporal consistency. In this work, we introduce a brand-new task, Camera-based 4D Panoptic Occupancy Tracking, which simultaneously addresses panoptic occupancy segmentation and object tracking from camera-only input. Furthermore, we propose TrackOcc, a cutting-edge approach that processes image inputs in a streaming, end-to-end manner with 4D panoptic queries to address the proposed task. Leveraging the localization-aware loss, TrackOcc enhances the accuracy of 4D panoptic occupancy tracking without bells and whistles. Experimental results demonstrate that our method achieves state-of-the-art performance on the Waymo dataset. The source code will be released at https://github.com/Tsinghua-MARS-Lab/TrackOcc.

SSCBench: A Large-Scale 3D Semantic Scene Completion Benchmark for Autonomous Driving

Semantic scene completion (SSC) is crucial for holistic 3D scene understanding by jointly estimating semantics and geometry from sparse observations. However, progress in SSC, particularly in autonomous driving scenarios, is hindered by the scarcity of high-quality datasets. To overcome this challenge, we introduce SSCBench, a comprehensive benchmark that integrates scenes from widely-used automotive datasets (e.g., KITTI-360, nuScenes, and Waymo). SSCBench follows an established setup and format in the community, facilitating the easy exploration of the camera- and LiDAR-based SSC across various real-world scenarios. We present quantitative and qualitative evaluations of state-of-the-art algorithms on SSCBench and commit to continuously incorporating novel automotive datasets and SSC algorithms to drive further advancements in this field. Our resources are released on https://github.com/ai4ce/SSCBench.