This paper focuses on using natural language descriptions to enhance predictive models in the chemistry field. Conventionally, chemoinformatics models are trained with extensive structured data manually extracted from the literature. In this paper, we introduce TextReact, a novel method that directly augments predictive chemistry with texts retrieved from the literature. TextReact retrieves text descriptions relevant for a given chemical reaction, and then aligns them with the molecular representation of the reaction. This alignment is enhanced via an auxiliary masked LM objective incorporated in the predictor training. We empirically validate the framework on two chemistry tasks: reaction condition recommendation and one-step retrosynthesis. By leveraging text retrieval, TextReact significantly outperforms state-of-the-art chemoinformatics models trained solely on molecular data.

There have been various types of pretraining architectures including autoencoding models (e.g., BERT), autoregressive models (e.g., GPT), and encoder-decoder models (e.g., T5). However, none of the pretraining frameworks performs the best for all tasks of three main categories including natural language understanding (NLU), unconditional generation, and conditional generation. We propose a General Language Model (GLM) based on autoregressive blank infilling to address this challenge. GLM improves blank filling pretraining by adding 2D positional encodings and allowing an arbitrary order to predict spans, which results in performance gains over BERT and T5 on NLU tasks. Meanwhile, GLM can be pretrained for different types of tasks by varying the number and lengths of blanks. On a wide range of tasks across NLU, conditional and unconditional generation, GLM outperforms BERT, T5, and GPT given the same model sizes and data, and achieves the best performance from a single pretrained model with 1.25× parameters of BERT Large , demonstrating its generalizability to different downstream tasks.

The few-shot natural language understanding (NLU) task has attracted much recent attention. However, prior methods have been evaluated under a disparate set of protocols, which hinders fair comparison and measuring the progress of the field. To address this issue, we introduce an evaluation framework that improves previous evaluation procedures in three key aspects, i.e., test performance, dev-test correlation, and stability. Under this new evaluation framework, we re-evaluate several state-of-the-art few-shot methods for NLU tasks. Our framework reveals new insights: (1) both the absolute performance and relative gap of the methods were not accurately estimated in prior literature; (2) no single method dominates most tasks with consistent performance; (3) improvements of some methods diminish with a larger pretrained model; and (4) gains from different methods are often complementary and the best combined model performs close to a strong fully-supervised baseline. We open-source our toolkit, FewNLU, that implements our evaluation framework along with a number of state-of-the-art methods.

Most modern Information Extraction (IE) systems are implemented as sequential taggers and only model local dependencies. Non-local and non-sequential context is, however, a valuable source of information to improve predictions. In this paper, we introduce GraphIE, a framework that operates over a graph representing a broad set of dependencies between textual units (i.e. words or sentences). The algorithm propagates information between connected nodes through graph convolutions, generating a richer representation that can be exploited to improve word-level predictions. Evaluation on three different tasks — namely textual, social media and visual information extraction — shows that GraphIE consistently outperforms the state-of-the-art sequence tagging model by a significant margin.