Yu Song

Yu Song, Donglin Wang

Graph Neural Networks (GNNs) are state-of-the-art models for performing prediction tasks on graphs. While existing GNNs have shown great performance on various tasks related to graphs, little attention has been paid to the scenario where out-of-distribution (OOD) nodes exist in the graph during training and inference. Borrowing the concept from CV and NLP, we define OOD nodes as nodes with labels unseen from the training set. Since a lot of networks are automatically constructed by programs, real-world graphs are often noisy and may contain nodes from unknown distributions. In this work, we define the problem of graph learning with out-of-distribution nodes. Specifically, we aim to accomplish two tasks: 1) detect nodes which do not belong to the known distribution and 2) classify the remaining nodes to be one of the known classes. We demonstrate that the connection patterns in graphs are informative for outlier detection, and propose Out-of-Distribution Graph Attention Network (OODGAT), a novel GNN model which explicitly models the interaction between different kinds of nodes and separate inliers from outliers during feature propagation. Extensive experiments show that OODGAT outperforms existing outlier detection methods by a large margin, while being better or comparable in terms of in-distribution classification.

Yu Song, Santiago Miret, Bang Liu

We present MatSci-NLP, a natural language benchmark for evaluating the performance of natural language processing (NLP) models on materials science text. We construct the benchmark from publicly available materials science text data to encompass seven different NLP tasks, including conventional NLP tasks like named entity recognition and relation classification, as well as NLP tasks specific to materials science, such as synthesis action retrieval which relates to creating synthesis procedures for materials. We study various BERT-based models pretrained on different scientific text corpora on MatSci-NLP to understand the impact of pretraining strategies on understanding materials science text. Given the scarcity of high-quality annotated data in the materials science domain, we perform our fine-tuning experiments with limited training data to encourage the generalize across MatSci-NLP tasks. Our experiments in this low-resource training setting show that language models pretrained on scientific text outperform BERT trained on general text. MatBERT, a model pretrained specifically on materials science journals, generally performs best for most tasks. Moreover, we propose a unified text-to-schema for multitask learning on \benchmark and compare its performance with traditional fine-tuning methods. In our analysis of different training methods, we find that our proposed text-to-schema methods inspired by question-answering consistently outperform single and multitask NLP fine-tuning methods. The code and datasets are publicly available at \url{https://github.com/BangLab-UdeM-Mila/NLP4MatSci-ACL23}.

Song Yu, Xiaofei Xu, Fangfei Xu et al.

Although large language models perform well in understanding and responding to user intent, their performance in specialized domains such as Traditional Chinese Medicine (TCM) remains limited due to lack of expertise. In addition, high-quality data related to TCM is scarce and difficult to obtain, making large language models ineffective in handling TCM tasks. In this work, we propose a framework to improve the performance of large language models for TCM tasks using only a small amount of data. First, we use medical case data for supervised fine-tuning of the large model, making it initially capable of performing TCM tasks. Subsequently, we further optimize the model's performance using reinforcement learning from AI feedback (RLAIF) to align it with the preference data. The ablation study also demonstrated the performance gain is attributed to both supervised fine-tuning and the direct policy optimization. The experimental results show that the model trained with a small amount of data achieves a significant performance improvement on a representative TCM task.