Molecular Graph Representation Learning via Structural Similarity InformationChengyu Yao, Hong Huang, Hang Gao et al.
Graph Neural Networks (GNNs) have been widely employed for feature representation learning in molecular graphs. Therefore, it is crucial to enhance the expressiveness of feature representation to ensure the effectiveness of GNNs. However, a significant portion of current research primarily focuses on the structural features within individual molecules, often overlooking the structural similarity between molecules, which is a crucial aspect encapsulating rich information on the relationship between molecular properties and structural characteristics. Thus, these approaches fail to capture the rich semantic information at the molecular structure level. To bridge this gap, we introduce the \textbf{Molecular Structural Similarity Motif GNN (MSSM-GNN)}, a novel molecular graph representation learning method that can capture structural similarity information among molecules from a global perspective. In particular, we propose a specially designed graph that leverages graph kernel algorithms to represent the similarity between molecules quantitatively. Subsequently, we employ GNNs to learn feature representations from molecular graphs, aiming to enhance the accuracy of property prediction by incorporating additional molecular representation information. Finally, through a series of experiments conducted on both small-scale and large-scale molecular datasets, we demonstrate that our model consistently outperforms eleven state-of-the-art baselines. The codes are available at https://github.com/yaoyao-yaoyao-cell/MSSM-GNN.
Show Me the Whole World: Towards Entire Item Space Exploration for Interactive Personalized RecommendationsYu Song, Jianxun Lian, Shuai Sun et al.
User interest exploration is an important and challenging topic in recommender systems, which alleviates the closed-loop effects between recommendation models and user-item interactions. Contextual bandit (CB) algorithms strive to make a good trade-off between exploration and exploitation so that users' potential interests have chances to expose. However, classical CB algorithms can only be applied to a small, sampled item set (usually hundreds), which forces the typical applications in recommender systems limited to candidate post-ranking, homepage top item ranking, ad creative selection, or online model selection (A/B test). In this paper, we introduce two simple but effective hierarchical CB algorithms to make a classical CB model (such as LinUCB and Thompson Sampling) capable to explore users' interest in the entire item space without limiting it to a small item set. We first construct a hierarchy item tree via a bottom-up clustering algorithm to organize items in a coarse-to-fine manner. Then we propose a hierarchical CB (HCB) algorithm to explore users' interest in the hierarchy tree. HCB takes the exploration problem as a series of decision-making processes, where the goal is to find a path from the root to a leaf node, and the feedback will be back-propagated to all the nodes in the path. We further propose a progressive hierarchical CB (pHCB) algorithm, which progressively extends visible nodes which reach a confidence level for exploration, to avoid misleading actions on upper-level nodes in the sequential decision-making process. Extensive experiments on two public recommendation datasets demonstrate the effectiveness and flexibility of our methods.
31.6CLJun 7, 2021
Semantic and Syntactic Enhanced Aspect Sentiment Triplet ExtractionZhexue Chen, Hong Huang, Bang Liu et al.
Aspect Sentiment Triplet Extraction (ASTE) aims to extract triplets from sentences, where each triplet includes an entity, its associated sentiment, and the opinion span explaining the reason for the sentiment. Most existing research addresses this problem in a multi-stage pipeline manner, which neglects the mutual information between such three elements and has the problem of error propagation. In this paper, we propose a Semantic and Syntactic Enhanced aspect Sentiment triplet Extraction model (S3E2) to fully exploit the syntactic and semantic relationships between the triplet elements and jointly extract them. Specifically, we design a Graph-Sequence duel representation and modeling paradigm for the task of ASTE: we represent the semantic and syntactic relationships between word pairs in a sentence by graph and encode it by Graph Neural Networks (GNNs), as well as modeling the original sentence by LSTM to preserve the sequential information. Under this setting, we further apply a more efficient inference strategy for the extraction of triplets. Extensive evaluations on four benchmark datasets show that S3E2 significantly outperforms existing approaches, which proves our S3E2's superiority and flexibility in an end-to-end fashion.
Outlier-Resilient Web Service QoS PredictionFanghua Ye, Zhiwei Lin, Chuan Chen et al.
The proliferation of Web services makes it difficult for users to select the most appropriate one among numerous functionally identical or similar service candidates. Quality-of-Service (QoS) describes the non-functional characteristics of Web services, and it has become the key differentiator for service selection. However, users cannot invoke all Web services to obtain the corresponding QoS values due to high time cost and huge resource overhead. Thus, it is essential to predict unknown QoS values. Although various QoS prediction methods have been proposed, few of them have taken outliers into consideration, which may dramatically degrade the prediction performance. To overcome this limitation, we propose an outlier-resilient QoS prediction method in this paper. Our method utilizes Cauchy loss to measure the discrepancy between the observed QoS values and the predicted ones. Owing to the robustness of Cauchy loss, our method is resilient to outliers. We further extend our method to provide time-aware QoS prediction results by taking the temporal information into consideration. Finally, we conduct extensive experiments on both static and dynamic datasets. The results demonstrate that our method is able to achieve better performance than state-of-the-art baseline methods.