Xiaowen Hu

Ziyu Fan, Zhijian Huang, Yahan Li et al.

Property-constrained molecular generation and editing are crucial in AI-driven drug discovery but remain hindered by two factors: (i) capturing the complex relationships between molecular structures and multiple properties remains challenging, and (ii) the narrow coverage and incomplete annotations of molecular properties weaken the effectiveness of property-based models. To tackle these limitations, we propose HSPAG, a data-efficient framework featuring hierarchical structure-property alignment. By treating SMILES and molecular properties as complementary modalities, the model learns their relationships at atom, substructure, and whole-molecule levels. Moreover, we select representative samples through scaffold clustering and hard samples via an auxiliary variational auto-encoder (VAE), substantially reducing the required pre-training data. In addition, we incorporate a property relevance-aware masking mechanism and diversified perturbation strategies to enhance generation quality under sparse annotations. Experiments demonstrate that HSPAG captures fine-grained structure-property relationships and supports controllable generation under multiple property constraints. Two real-world case studies further validate the editing capabilities of HSPAG.

Linqi Ye, Rankun Li, Xiaowen Hu et al.

This paper introduces Unity RL Playground, an open-source reinforcement learning framework built on top of Unity ML-Agents. Unity RL Playground automates the process of training mobile robots to perform various locomotion tasks such as walking, running, and jumping in simulation, with the potential for seamless transfer to real hardware. Key features include one-click training for imported robot models, universal compatibility with diverse robot configurations, multi-mode motion learning capabilities, and extreme performance testing to aid in robot design optimization and morphological evolution. The attached video can be found at https://linqi-ye.github.io/video/iros25.mp4 and the code is coming soon.

Haoqing Li, Jun Shi, Xianmeng Chen et al.

Deep learning methods face dual challenges of limited clinical samples and low inter-class differentiation among Diffuse Cystic Lung Diseases (DCLDs) in advancing Birt-Hogg-Dube syndrome (BHD) diagnosis via Computed Tomography (CT) imaging. While Multimodal Large Language Models (MLLMs) demonstrate diagnostic potential fo such rare diseases, the absence of domain-specific knowledge and referable radiological features intensify hallucination risks. To address this problem, we propose BHD-RAG, a multimodal retrieval-augmented generation framework that integrates DCLD-specific expertise and clinical precedents with MLLMs to improve BHD diagnostic accuracy. BHDRAG employs: (1) a specialized agent generating imaging manifestation descriptions of CT images to construct a multimodal corpus of DCLDs cases. (2) a cosine similarity-based retriever pinpointing relevant imagedescription pairs for query images, and (3) an MLLM synthesizing retrieved evidence with imaging data for diagnosis. BHD-RAG is validated on the dataset involving four types of DCLDs, achieving superior accuracy and generating evidence-based descriptions closely aligned with expert insights.