Yi Du

Meng Xiao, Ziyue Qiao, Yanjie Fu et al.

The peer merit review of research proposals has been the major mechanism for deciding grant awards. However, research proposals have become increasingly interdisciplinary. It has been a longstanding challenge to assign interdisciplinary proposals to appropriate reviewers, so proposals are fairly evaluated. One of the critical steps in reviewer assignment is to generate accurate interdisciplinary topic labels for proposal-reviewer matching. Existing systems mainly collect topic labels manually generated by principal investigators. However, such human-reported labels can be non-accurate, incomplete, labor intensive, and time costly. What role can AI play in developing a fair and precise proposal reviewer assignment system? In this study, we collaborate with the National Science Foundation of China to address the task of automated interdisciplinary topic path detection. For this purpose, we develop a deep Hierarchical Interdisciplinary Research Proposal Classification Network (HIRPCN). Specifically, we first propose a hierarchical transformer to extract the textual semantic information of proposals. We then design an interdisciplinary graph and leverage GNNs for learning representations of each discipline in order to extract interdisciplinary knowledge. After extracting the semantic and interdisciplinary knowledge, we design a level-wise prediction component to fuse the two types of knowledge representations and detect interdisciplinary topic paths for each proposal. We conduct extensive experiments and expert evaluations on three real-world datasets to demonstrate the effectiveness of our proposed model.

Meng Xiao, Ziyue Qiao, Yanjie Fu et al.

The peer merit review of research proposals has been the major mechanism to decide grant awards. Nowadays, research proposals have become increasingly interdisciplinary. It has been a longstanding challenge to assign proposals to appropriate reviewers. One of the critical steps in reviewer assignment is to generate accurate interdisciplinary topic labels for proposals. Existing systems mainly collect topic labels manually reported by discipline investigators. However, such human-reported labels can be non-accurate and incomplete. What role can AI play in developing a fair and precise proposal review system? In this evidential study, we collaborate with the National Science Foundation of China to address the task of automated interdisciplinary topic path detection. For this purpose, we develop a deep Hierarchical Interdisciplinary Research Proposal Classification Network (HIRPCN). We first propose a hierarchical transformer to extract the textual semantic information of proposals. We then design an interdisciplinary graph and leverage GNNs to learn representations of each discipline in order to extract interdisciplinary knowledge. After extracting the semantic and interdisciplinary knowledge, we design a level-wise prediction component to fuse the two types of knowledge representations and detect interdisciplinary topic paths for each proposal. We conduct extensive experiments and expert evaluations on three real-world datasets to demonstrate the effectiveness of our proposed model.

Meng Xiao, Min Wu, Ziyue Qiao et al.

Funding agencies are largely relied on a topic matching between domain experts and research proposals to assign proposal reviewers. As proposals are increasingly interdisciplinary, it is challenging to profile the interdisciplinary nature of a proposal, and, thereafter, find expert reviewers with an appropriate set of expertise. An essential step in solving this challenge is to accurately model and classify the interdisciplinary labels of a proposal. Existing methodological and application-related literature, such as textual classification and proposal classification, are insufficient in jointly addressing the three key unique issues introduced by interdisciplinary proposal data: 1) the hierarchical structure of discipline labels of a proposal from coarse-grain to fine-grain, e.g., from information science to AI to fundamentals of AI. 2) the heterogeneous semantics of various main textual parts that play different roles in a proposal; 3) the number of proposals is imbalanced between non-interdisciplinary and interdisciplinary research. Can we simultaneously address the three issues in understanding the proposal's interdisciplinary nature? In response to this question, we propose a hierarchical mixup multiple-label classification framework, which we called H-MixUp. H-MixUp leverages a transformer-based semantic information extractor and a GCN-based interdisciplinary knowledge extractor for the first and second issues. H-MixUp develops a fused training method of Wold-level MixUp, Word-level CutMix, Manifold MixUp, and Document-level MixUp to address the third issue.

Zhiyuan Ning, Pengfei Wang, Pengyang Wang et al.

Graph Contrastive Learning (GCL) has emerged as a promising approach in the realm of graph self-supervised learning. Prevailing GCL methods mainly derive from the principles of contrastive learning in the field of computer vision: modeling invariance by specifying absolutely similar pairs. However, when applied to graph data, this paradigm encounters two significant limitations: (1) the validity of the generated views cannot be guaranteed: graph perturbation may produce invalid views against semantics and intrinsic topology of graph data; (2) specifying absolutely similar pairs in the graph views is unreliable: for abstract and non-Euclidean graph data, it is difficult for humans to decide the absolute similarity and dissimilarity intuitively. Despite the notable performance of current GCL methods, these challenges necessitate a reevaluation: Could GCL be more effectively tailored to the intrinsic properties of graphs, rather than merely adopting principles from computer vision? In response to this query, we propose a novel paradigm, Graph Soft-Contrastive Learning (GSCL). This approach facilitates GCL via neighborhood ranking, avoiding the need to specify absolutely similar pairs. GSCL leverages the underlying graph characteristic of diminishing label consistency, asserting that nodes that are closer in the graph are overall more similar than far-distant nodes. Within the GSCL framework, we introduce pairwise and listwise gated ranking InfoNCE loss functions to effectively preserve the relative similarity ranking within neighborhoods. Moreover, as the neighborhood size exponentially expands with more hops considered, we propose neighborhood sampling strategies to improve learning efficiency. Our extensive empirical results across 11 commonly used graph datasets-including 8 homophily graphs and 3 heterophily graphs-demonstrate GSCL's superior performance compared to 20 SOTA GCL methods.

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.

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.

Yi Du, Zhipeng Zhao, Shaoshu Su et al.

Point cloud (PC) processing tasks-such as completion, upsampling, denoising, and colorization-are crucial in applications like autonomous driving and 3D reconstruction. Despite substantial advancements, prior approaches often address each of these tasks independently, with separate models focused on individual issues. However, this isolated approach fails to account for the fact that defects like incompleteness, low resolution, noise, and lack of color frequently coexist, with each defect influencing and correlating with the others. Simply applying these models sequentially can lead to error accumulation from each model, along with increased computational costs. To address these challenges, we introduce SuperPC, the first unified diffusion model capable of concurrently handling all four tasks. Our approach employs a three-level-conditioned diffusion framework, enhanced by a novel spatial-mix-fusion strategy, to leverage the correlations among these four defects for simultaneous, efficient processing. We show that SuperPC outperforms the state-of-the-art specialized models as well as their combination on all four individual tasks.

Hao Dong, Ziyue Qiao, Zhiyuan Ning et al.

Temporal Knowledge Graphs (TKGs), as an extension of static Knowledge Graphs (KGs), incorporate the temporal feature to express the transience of knowledge by describing when facts occur. TKG extrapolation aims to infer possible future facts based on known history, which has garnered significant attention in recent years. Some existing methods treat TKG as a sequence of independent subgraphs to model temporal evolution patterns, demonstrating impressive reasoning performance. However, they still have limitations: 1) In modeling subgraph semantic evolution, they usually neglect the internal structural interactions between subgraphs, which are actually crucial for encoding TKGs. 2) They overlook the potential smooth features that do not lead to semantic changes, which should be distinguished from the semantic evolution process. Therefore, we propose a novel Disentangled Multi-span Evolutionary Network (DiMNet) for TKG reasoning. Specifically, we design a multi-span evolution strategy that captures local neighbor features while perceiving historical neighbor semantic information, thus enabling internal interactions between subgraphs during the evolution process. To maximize the capture of semantic change patterns, we design a disentangle component that adaptively separates nodes' active and stable features, used to dynamically control the influence of historical semantics on future evolution. Extensive experiments conducted on four real-world TKG datasets show that DiMNet demonstrates substantial performance in TKG reasoning, and outperforms the state-of-the-art up to 22.7% in MRR.