Ran Xu

Ran Xu, Yue Yu, Joyce C. Ho et al.

Scientific document classification is a critical task for a wide range of applications, but the cost of obtaining massive amounts of human-labeled data can be prohibitive. To address this challenge, we propose a weakly-supervised approach for scientific document classification using label names only. In scientific domains, label names often include domain-specific concepts that may not appear in the document corpus, making it difficult to match labels and documents precisely. To tackle this issue, we propose WANDER, which leverages dense retrieval to perform matching in the embedding space to capture the semantics of label names. We further design the label name expansion module to enrich the label name representations. Lastly, a self-training step is used to refine the predictions. The experiments on three datasets show that WANDER outperforms the best baseline by 11.9% on average. Our code will be published at https://github.com/ritaranx/wander.

Xuan Kan, Zimu Li, Hejie Cui et al.

Biological networks are commonly used in biomedical and healthcare domains to effectively model the structure of complex biological systems with interactions linking biological entities. However, due to their characteristics of high dimensionality and low sample size, directly applying deep learning models on biological networks usually faces severe overfitting. In this work, we propose R-MIXUP, a Mixup-based data augmentation technique that suits the symmetric positive definite (SPD) property of adjacency matrices from biological networks with optimized training efficiency. The interpolation process in R-MIXUP leverages the log-Euclidean distance metrics from the Riemannian manifold, effectively addressing the swelling effect and arbitrarily incorrect label issues of vanilla Mixup. We demonstrate the effectiveness of R-MIXUP with five real-world biological network datasets on both regression and classification tasks. Besides, we derive a commonly ignored necessary condition for identifying the SPD matrices of biological networks and empirically study its influence on the model performance. The code implementation can be found in Appendix E.

Hejie Cui, Xinyu Fang, Zihan Zhang et al.

Images contain rich relational knowledge that can help machines understand the world. Existing methods on visual knowledge extraction often rely on the pre-defined format (e.g., sub-verb-obj tuples) or vocabulary (e.g., relation types), restricting the expressiveness of the extracted knowledge. In this work, we take a first exploration to a new paradigm of open visual knowledge extraction. To achieve this, we present OpenVik which consists of an open relational region detector to detect regions potentially containing relational knowledge and a visual knowledge generator that generates format-free knowledge by prompting the large multimodality model with the detected region of interest. We also explore two data enhancement techniques for diversifying the generated format-free visual knowledge. Extensive knowledge quality evaluations highlight the correctness and uniqueness of the extracted open visual knowledge by OpenVik. Moreover, integrating our extracted knowledge across various visual reasoning applications shows consistent improvements, indicating the real-world applicability of OpenVik.

Ziyang Zhang, Hejie Cui, Ran Xu et al.

The growing availability of well-organized Electronic Health Records (EHR) data has enabled the development of various machine learning models towards disease risk prediction. However, existing risk prediction methods overlook the heterogeneity of complex diseases, failing to model the potential disease subtypes regarding their corresponding patient visits and clinical concept subgroups. In this work, we introduce TACCO, a novel framework that jointly discovers clusters of clinical concepts and patient visits based on a hypergraph modeling of EHR data. Specifically, we develop a novel self-supervised co-clustering framework that can be guided by the risk prediction task of specific diseases. Furthermore, we enhance the hypergraph model of EHR data with textual embeddings and enforce the alignment between the clusters of clinical concepts and patient visits through a contrastive objective. Comprehensive experiments conducted on the public MIMIC-III dataset and Emory internal CRADLE dataset over the downstream clinical tasks of phenotype classification and cardiovascular risk prediction demonstrate an average 31.25% performance improvement compared to traditional ML baselines and a 5.26% improvement on top of the vanilla hypergraph model without our co-clustering mechanism. In-depth model analysis, clustering results analysis, and clinical case studies further validate the improved utilities and insightful interpretations delivered by TACCO. Code is available at https://github.com/PericlesHat/TACCO.

Ran Xu, Yupeng Qi, Jingsen Feng et al.

In modern engineering practice, human engineers collaborate in specialized teams to design complex products, with each expert completing their respective tasks while communicating and exchanging results and data with one another. While this division of expertise is essential for managing multidisciplinary complexity, it demands substantial development time and cost. Recently, we introduced OpenFOAMGPT (1.0, 2.0), which functions as an autonomous AI engineer for computational fluid dynamics, and turbulence.ai, which can conduct end-to-end research in fluid mechanics draft publications and PhD theses. Building upon these foundations, we present Engineering.ai, a platform for teams of AI engineers in computational design. The framework employs a hierarchical multi-agent architecture where a Chief Engineer coordinates specialized agents consisting of Aerodynamics, Structural, Acoustic, and Optimization Engineers, each powered by LLM with domain-specific knowledge. Agent-agent collaboration is achieved through file-mediated communication for data provenance and reproducibility, while a comprehensive memory system maintains project context, execution history, and retrieval-augmented domain knowledge to ensure reliable decision-making across the workflow. The system integrates FreeCAD, Gmsh, OpenFOAM, CalculiX, and BPM acoustic analysis, enabling parallel multidisciplinary simulations while maintaining computational accuracy. The framework is validated through UAV wing optimization. This work demonstrates that agentic-AI-enabled AI engineers has the potential to perform complex engineering tasks autonomously. Remarkably, the automated workflow achieved a 100% success rate across over 400 parametric configurations, with zero mesh generation failures, solver convergence issues, or manual interventions required, validating that the framework is trustworthy.

Yuzhang Xie, Xu Han, Ran Xu et al.

Knowledge graphs (KGs) are important products of the semantic web, which are widely used in various application domains. Healthcare is one of such domains where KGs are intensively used, due to the high requirement for knowledge accuracy and interconnected nature of healthcare data. However, KGs storing general factual information often lack the ability to account for important contexts of the knowledge such as the status of specific patients, which are crucial in precision healthcare. Meanwhile, electronic health records (EHRs) provide rich personal data, including various diagnoses and medications, which provide natural contexts for general KGs. In this paper, we propose HypKG, a framework that integrates patient information from EHRs into KGs to generate contextualized knowledge representations for accurate healthcare predictions. Using advanced entity-linking techniques, we connect relevant knowledge from general KGs with patient information from EHRs, and then utilize a hypergraph model to "contextualize" the knowledge with the patient information. Finally, we employ hypergraph transformers guided by downstream prediction tasks to jointly learn proper contextualized representations for both KGs and patients, fully leveraging existing knowledge in KGs and patient contexts in EHRs. In experiments using a large biomedical KG and two real-world EHR datasets, HypKG demonstrates significant improvements in healthcare prediction tasks across multiple evaluation metrics. Additionally, by integrating external contexts, HypKG can learn to adjust the representations of entities and relations in KG, potentially improving the quality and real-world utility of knowledge.