Li Liu

Li Liu, Penggang Chen, Xin Li et al.

Aligning users across networks using graph representation learning has been found effective where the alignment is accomplished in a low-dimensional embedding space. Yet, achieving highly precise alignment is still challenging, especially when nodes with long-range connectivity to the labeled anchors are encountered. To alleviate this limitation, we purposefully designed WL-Align which adopts a regularized representation learning framework to learn distinctive node representations. It extends the Weisfeiler-Lehman Isormorphism Test and learns the alignment in alternating phases of "across-network Weisfeiler-Lehman relabeling" and "proximity-preserving representation learning". The across-network Weisfeiler-Lehman relabeling is achieved through iterating the anchor-based label propagation and a similarity-based hashing to exploit the known anchors' connectivity to different nodes in an efficient and robust manner. The representation learning module preserves the second-order proximity within individual networks and is regularized by the across-network Weisfeiler-Lehman hash labels. Extensive experiments on real-world and synthetic datasets have demonstrated that our proposed WL-Align outperforms the state-of-the-art methods, achieving significant performance improvements in the "exact matching" scenario. Data and code of WL-Align are available at https://github.com/ChenPengGang/WLAlignCode.

Yuli Sun, Lin Lei, Dongdong Guan et al.

This paper provides a new strategy for the Heterogeneous Change Detection (HCD) problem: solving HCD from the perspective of Graph Signal Processing (GSP). We construct a graph for each image to capture the structure information, and treat each image as the graph signal. In this way, we convert the HCD into a GSP problem: a comparison of the responses of the two signals on different systems defined on the two graphs, which attempts to find structural differences (Part I) and signal differences (Part II) due to the changes between heterogeneous images. In this first part, we analyze the HCD with GSP from the vertex domain. We first show that for the unchanged images, their structures are consistent, and then the outputs of the same signal on systems defined on the two graphs are similar. However, once a region has changed, the local structure of the image changes, i.e., the connectivity of the vertex containing this region changes. Then, we can compare the output signals of the same input graph signal passing through filters defined on the two graphs to detect changes. We design different filters from the vertex domain, which can flexibly explore the high-order neighborhood information hidden in original graphs. We also analyze the detrimental effects of changing regions on the change detection results from the viewpoint of signal propagation. Experiments conducted on seven real data sets show the effectiveness of the vertex domain filtering based HCD method.

Ye Wang, Jingbo Liao, Hong Yu et al.

Currently end-to-end deep learning based open-domain dialogue systems remain black box models, making it easy to generate irrelevant contents with data-driven models. Specifically, latent variables are highly entangled with different semantics in the latent space due to the lack of priori knowledge to guide the training. To address this problem, this paper proposes to harness the generative model with a priori knowledge through a cognitive approach involving mesoscopic scale feature disentanglement. Particularly, the model integrates the macro-level guided-category knowledge and micro-level open-domain dialogue data for the training, leveraging the priori knowledge into the latent space, which enables the model to disentangle the latent variables within the mesoscopic scale. Besides, we propose a new metric for open-domain dialogues, which can objectively evaluate the interpretability of the latent space distribution. Finally, we validate our model on different datasets and experimentally demonstrate that our model is able to generate higher quality and more interpretable dialogues than other models.

Yuli Sun, Lin Lei, Dongdong Guan et al.

This is the second part of the paper that provides a new strategy for the heterogeneous change detection (HCD) problem, that is, solving HCD from the perspective of graph signal processing (GSP). We construct a graph to represent the structure of each image, and treat each image as a graph signal defined on the graph. In this way, we can convert the HCD problem into a comparison of responses of signals on systems defined on the graphs. In the part I, the changes are measured by comparing the structure difference between the graphs from the vertex domain. In this part II, we analyze the GSP for HCD from the spectral domain. We first analyze the spectral properties of the different images on the same graph, and show that their spectra exhibit commonalities and dissimilarities. Specially, it is the change that leads to the dissimilarities of their spectra. Then, we propose a regression model for the HCD, which decomposes the source signal into the regressed signal and changed signal, and requires the regressed signal have the same spectral property as the target signal on the same graph. With the help of graph spectral analysis, the proposed regression model is flexible and scalable. Experiments conducted on seven real data sets show the effectiveness of the proposed method.

Yuan Li, Li Liu, Penggang Chen et al.

Graph data widely exists in real life, with large amounts of data and complex structures. It is necessary to map graph data to low-dimensional embedding. Graph classification, a critical graph task, mainly relies on identifying the important substructures within the graph. At present, some graph classification methods do not combine the multi-granularity characteristics of graph data. This lack of granularity distinction in modeling leads to a conflation of key information and false correlations within the model. So, achieving the desired goal of a credible and interpretable model becomes challenging. This paper proposes a causal disentangled multi-granularity graph representation learning method (CDM-GNN) to solve this challenge. The CDM-GNN model disentangles the important substructures and bias parts within the graph from a multi-granularity perspective. The disentanglement of the CDM-GNN model reveals important and bias parts, forming the foundation for its classification task, specifically, model interpretations. The CDM-GNN model exhibits strong classification performance and generates explanatory outcomes aligning with human cognitive patterns. In order to verify the effectiveness of the model, this paper compares the three real-world datasets MUTAG, PTC, and IMDM-M. Six state-of-the-art models, namely GCN, GAT, Top-k, ASAPool, SUGAR, and SAT are employed for comparison purposes. Additionally, a qualitative analysis of the interpretation results is conducted.

Li Liu, Mengge He, Guanghui Xu et al.

Reading and writing research papers is one of the most privileged abilities that a qualified researcher should master. However, it is difficult for new researchers (\eg{students}) to fully {grasp} this ability. It would be fascinating if we could train an intelligent agent to help people read and summarize papers, and perhaps even discover and exploit the potential knowledge clues to write novel papers. Although there have been existing works focusing on summarizing (\emph{i.e.}, reading) the knowledge in a given text or generating (\emph{i.e.}, writing) a text based on the given knowledge, the ability of simultaneously reading and writing is still under development. Typically, this requires an agent to fully understand the knowledge from the given text materials and generate correct and fluent novel paragraphs, which is very challenging in practice. In this paper, we propose a Deep ReAder-Writer (DRAW) network, which consists of a \textit{Reader} that can extract knowledge graphs (KGs) from input paragraphs and discover potential knowledge, a graph-to-text \textit{Writer} that generates a novel paragraph, and a \textit{Reviewer} that reviews the generated paragraph from three different aspects. Extensive experiments show that our DRAW network outperforms considered baselines and several state-of-the-art methods on AGENDA and M-AGENDA datasets. Our code and supplementary are released at https://github.com/menggehe/DRAW.

Han Zhang, Fengji Ma, Jiamin Su et al.

Prediction for ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) plays a crucial role in drug discovery and development, accelerating the screening and optimization of new drugs. Existing methods primarily rely on single-task learning (STL), which often fails to fully exploit the complementarities between tasks. Besides, it requires more computational resources while training and inference of each task independently. To address these issues, we propose a new unified Quantum-enhanced and task-Weighted Multi-Task Learning (QW-MTL) framework, specifically designed for ADMET classification tasks. Built upon the Chemprop-RDKit backbone, QW-MTL adopts quantum chemical descriptors to enrich molecular representations with additional information about the electronic structure and interactions. Meanwhile, it introduces a novel exponential task weighting scheme that combines dataset-scale priors with learnable parameters to achieve dynamic loss balancing across tasks. To the best of our knowledge, this is the first work to systematically conduct joint multi-task training across all 13 Therapeutics Data Commons (TDC) classification benchmarks, using leaderboard-style data splits to ensure a standardized and realistic evaluation setting. Extensive experimental results show that QW-MTL significantly outperforms single-task baselines on 12 out of 13 tasks, achieving high predictive performance with minimal model complexity and fast inference, demonstrating the effectiveness and efficiency of multi-task molecular learning enhanced by quantum-informed features and adaptive task weighting.

Ying Shen, Yang Deng, Kaiqi Yuan et al.

Ontology can be used for the interpretation of natural language. To construct an anti-infective drug ontology, one needs to design and deploy a methodological step to carry out the entity discovery and linking. Medical synonym resources have been an important part of medical natural language processing (NLP). However, there are problems such as low precision and low recall rate. In this study, an NLP approach is adopted to generate candidate entities. Open ontology is analyzed to extract semantic relations. Six-word vector features and word-level features are selected to perform the entity linking. The extraction results of synonyms with a single feature and different combinations of features are studied. Experiments show that our selected features have achieved a precision rate of 86.77%, a recall rate of 89.03% and an F1 score of 87.89%. This paper finally presents the structure of the proposed ontology and its relevant statistical data.