Wenjuan Cui

Xu Ye, Meng Xiao, Zhiyuan Ning et al.

With the development of natural language processing techniques(NLP), automatic diagnosis of eye diseases using ophthalmology electronic medical records (OEMR) has become possible. It aims to evaluate the condition of both eyes of a patient respectively, and we formulate it as a particular multi-label classification task in this paper. Although there are a few related studies in other diseases, automatic diagnosis of eye diseases exhibits unique characteristics. First, descriptions of both eyes are mixed up in OEMR documents, with both free text and templated asymptomatic descriptions, resulting in sparsity and clutter of information. Second, OEMR documents contain multiple parts of descriptions and have long document lengths. Third, it is critical to provide explainability to the disease diagnosis model. To overcome those challenges, we present an effective automatic eye disease diagnosis framework, NEEDED. In this framework, a preprocessing module is integrated to improve the density and quality of information. Then, we design a hierarchical transformer structure for learning the contextualized representations of each sentence in the OEMR document. For the diagnosis part, we propose an attention-based predictor that enables traceable diagnosis by obtaining disease-specific information. Experiments on the real dataset and comparison with several baseline models show the advantage and explainability of our framework.

Chenghao Zhang, Qingqing Long, Ludi Wang et al.

Heterogeneous graphs have attracted increasing attention for modeling multi-typed entities and relations in complex real-world systems. Multi-label node classification on heterogeneous graphs is challenging due to structural heterogeneity and the need to learn shared representations across multiple labels. Existing methods typically adopt either flexible attention mechanisms or meta-path constrained anchoring, but in heterogeneous multi-label prediction they often suffer from semantic dilution or coverage constraint. Both issues are further amplified under multi-label supervision. We present a theoretical analysis showing that as heterogeneous neighborhoods expand, the attention mass allocated to task-critical (primary) neighborhoods diminishes, and that meta-path constrained aggregation exhibits a dilemma: too few meta-paths intensify coverage constraint, while too many re-introduce dilution. To resolve this coverage-anchoring conflict, we propose FOCAL: Fusion Of Coverage and Anchoring Learning, with two components: coverage-oriented attention (COA) for flexible, unconstrained heterogeneous context aggregation, and anchoring-oriented attention (AOA) that restricts aggregation to meta-path-induced primary semantics. Our theoretical analysis and experimental results further indicates that FOCAL has a better performance than other state-of-the-art methods.

Ludi Wang, Xueqing Chen, Yi Du et al.

The field of catalysis holds paramount importance in shaping the trajectory of sustainable development, prompting intensive research efforts to leverage artificial intelligence (AI) in catalyst design. Presently, the fine-tuning of open-source large language models (LLMs) has yielded significant breakthroughs across various domains such as biology and healthcare. Drawing inspiration from these advancements, we introduce CataLM Cata}lytic Language Model), a large language model tailored to the domain of electrocatalytic materials. Our findings demonstrate that CataLM exhibits remarkable potential for facilitating human-AI collaboration in catalyst knowledge exploration and design. To the best of our knowledge, CataLM stands as the pioneering LLM dedicated to the catalyst domain, offering novel avenues for catalyst discovery and development.

Chenghao Zhang, Qingqing Long, Ludi Wang et al.

Text-attributed graphs(TAGs) are pervasive in real-world systems,where each node carries its own textual features. In many cases these graphs are inherently heterogeneous, containing multiple node types and diverse edge types. Despite the ubiquity of such heterogeneous TAGs, there remains a lack of large-scale benchmark datasets. This shortage has become a critical bottleneck, hindering the development and fair comparison of representation learning methods on heterogeneous text-attributed graphs. In this paper, we introduce CITE - Catalytic Information Textual Entities Graph, the first and largest heterogeneous text-attributed citation graph benchmark for catalytic materials. CITE comprises over 438K nodes and 1.2M edges, spanning four relation types. In addition, we establish standardized evaluation procedures and conduct extensive benchmarking on the node classification task, as well as ablation experiments on the heterogeneous and textual properties of CITE. We compare four classes of learning paradigms, including homogeneous graph models, heterogeneous graph models, LLM(Large Language Model)-centric models, and LLM+Graph models. In a nutshell, we provide (i) an overview of the CITE dataset, (ii) standardized evaluation protocols, and (iii) baseline and ablation experiments across diverse modeling paradigms.