Jiahuan Zhang

Yizhen Luo, Xing Yi Liu, Kai Yang et al.

In recent years, AI models that mine intrinsic patterns from molecular structures and protein sequences have shown promise in accelerating drug discovery. However, these methods partly lag behind real-world pharmaceutical approaches of human experts that additionally grasp structured knowledge from knowledge bases and unstructured knowledge from biomedical literature. To bridge this gap, we propose KEDD, a unified, end-to-end, and multimodal deep learning framework that optimally incorporates both structured and unstructured knowledge for vast AI drug discovery tasks. The framework first extracts underlying characteristics from heterogeneous inputs, and then applies multimodal fusion for accurate prediction. To mitigate the problem of missing modalities, we leverage multi-head sparse attention and a modality masking mechanism to extract relevant information robustly. Benefiting from integrated knowledge, our framework achieves a deeper understanding of molecule entities, brings significant improvements over state-of-the-art methods on a wide range of tasks and benchmarks, and reveals its promising potential in assisting real-world drug discovery.

Jiahuan Zhang, Tianheng Wang, Hanqing Wu et al.

Structured representations, exemplified by Abstract Meaning Representation (AMR), have long been pivotal in computational linguistics. However, their role remains ambiguous in the Large Language Models (LLMs) era. Initial attempts to integrate structured representation into LLMs via a zero-shot setting yielded inferior performance. We hypothesize that such a decline stems from the structure information being passed into LLMs in a code format unfamiliar to LLMs' training corpora. Consequently, we propose SR-LLM, an innovative framework with two settings to explore a superior way of integrating structured representation with LLMs from training-free and training-dependent perspectives. The former integrates structural information through natural language descriptions in LLM prompts, whereas its counterpart augments the model's inference capability through fine-tuning on linguistically described structured representations. Performance improvements were observed in widely downstream datasets, with particularly notable gains of 3.17% and 12.38% in PAWS. To the best of our knowledge, this work represents the pioneering demonstration that leveraging structural representations can substantially enhance LLMs' inference capability. We hope that our work sheds light and encourages future research to enhance the reasoning and interoperability of LLMs by structure data.

Zijia Song, Yelin Wang, Zhengyi Ma et al.

With the advancement of artificial intelligence, research on oracle bone scripts has entered a new era. However, existing methods and benchmarks remain largely confined to recognition tasks, overlooking the equally crucial aspect of oracle bone analysis. To address this gap, we propose OracleAnalyser, a reasoning framework for oracle bone analysis based on post-training techniques. Specifically, we fine-tune Qwen2.5-VL-3B-Instruct through multiple post-training stages and introduce a new preference optimization algorithm, Stable Focal Preference Optimization (SFPO), tailored to the characteristics of oracle bone datasets. In addition, we release both an oracle bone reasoning dataset and an oracle bone preference dataset, and further construct a new benchmark to evaluate models' analytical capabilities for oracle bone scripts. Extensive experiments validate the superior analytical performance of OracleAnalyser, which achieves remarkable results with only 3B parameters, surpassing models with substantially larger scales.

Enhui Ma, Lijun Zhou, Tao Tang et al.

End-to-end planning methods are the de facto standard of the current autonomous driving system, while the robustness of the data-driven approaches suffers due to the notorious long-tail problem (i.e., rare but safety-critical failure cases). In this work, we explore whether recent diffusion-based video generation methods (a.k.a. world models), paired with structured 3D layouts, can enable a fully automated pipeline to self-correct such failure cases. We first introduce an agent to simulate the role of product manager, dubbed PM-Agent, which formulates data requirements to collect data similar to the failure cases. Then, we use a generative model that can simulate both data collection and annotation. However, existing generative models struggle to generate high-fidelity data conditioned on 3D layouts. To address this, we propose DriveSora, which can generate spatiotemporally consistent videos aligned with the 3D annotations requested by PM-Agent. We integrate these components into our self-correcting agentic system, CorrectAD. Importantly, our pipeline is an end-to-end model-agnostic and can be applied to improve any end-to-end planner. Evaluated on both nuScenes and a more challenging in-house dataset across multiple end-to-end planners, CorrectAD corrects 62.5% and 49.8% of failure cases, reducing collision rates by 39% and 27%, respectively.