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This research studies graph-based approaches for Answer Sentence Selection (AS2), an essential component for retrieval-based Question Answering (QA) systems. During offline learning, our model constructs a small-scale relevant training graph per question in an unsupervised manner, and integrates with Graph Neural Networks. Graph nodes are question sentence to answer sentence pairs. We train and integrate state-of-the-art (SOTA) models for computing scores between question-question, question-answer, and answer-answer pairs, and use thresholding on relevance scores for creating graph edges. Online inference is then performed to solve the AS2 task on unseen queries. Experiments on two well-known academic benchmarks and a real-world dataset show that our approach consistently outperforms SOTA QA baseline models.more » « less
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Guo, Zhichun; Guo, Kehan; Nan, Bozhao; Tian, Yijun; Iyer, Roshni G.; Ma, Yihong; Wiest, Olaf; Zhang, Xiangliang; Wang, Wei; Zhang, Chuxu; et al (, International Joint Conferences on Artificial Intelligence Organization)Molecular representation learning (MRL) is a key step to build the connection between machine learning and chemical science. In particular, it encodes molecules as numerical vectors preserving the molecular structures and features, on top of which the downstream tasks (e.g., property prediction) can be performed. Recently, MRL has achieved considerable progress, especially in methods based on deep molecular graph learning. In this survey, we systematically review these graph-based molecular representation techniques, especially the methods incorporating chemical domain knowledge. Specifically, we first introduce the features of 2D and 3D molecular graphs. Then we summarize and categorize MRL methods into three groups based on their input. Furthermore, we discuss some typical chemical applications supported by MRL. To facilitate studies in this fast-developing area, we also list the benchmarks and commonly used datasets in the paper. Finally, we share our thoughts on future research directions.more » « less
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Iyer, Roshni G.; Bai, Yunsheng; Wang, Wei; Sun, Yizhou (, KDD '22: Proceedings of the 28th ACM SIGKDD Conference on Knowledge Discovery and Data Mining)
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Iyer, Roshni G.; Wang, Wei; Sun, Yizhou (, Proc. 2021 IEEE Int. Conf. on Data Mining (ICDM'21))
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