Computational synthesis planning approaches have achieved recent success in organic chemistry, where tabulated synthesis procedures are readily available for supervised learning. The syntheses of inorganic materials, however, exist primarily as natural language narratives contained within scientific journal articles. This synthesis information must first be extracted from the text in order to enable analogous synthesis planning methods for inorganic materials. In this work, we present a system for automatically extracting structured representations of synthesis procedures from the texts of materials science journal articles that describe explicit, experimental syntheses of inorganic compounds. We define the structured representation as a set of linked events made up of extracted scientific entities and evaluate two unsupervised approaches for extracting these structures on expert-annotated articles: a strong heuristic baseline and a generative model of procedural text. We also evaluate a variety of supervised models for extracting scientific entities. Our results provide insight into the nature of the data and directions for further work in this exciting new area of research.
We introduce RelNet: a new model for relational reasoning. RelNet is a memory augmented neural network which models entities as abstract memory slots and is equipped with an additional relational memory which models relations between all memory pairs. The model thus builds an abstract knowledge graph on the entities and relations present in a document which can then be used to answer questions about the document. It is trained end-to-end: only supervision to the model is in the form of correct answers to the questions. We test the model on the 20 bAbI question-answering tasks with 10k examples per task and find that it solves all the tasks with a mean error of 0.3%, achieving 0% error on 11 of the 20 tasks.
Knowledge bases (KB), both automatically and manually constructed, are often incomplete --- many valid facts can be inferred from the KB by synthesizing existing information. A popular approach to KB completion is to infer new relations by combinatory reasoning over the information found along other paths connecting a pair of entities. Given the enormous size of KBs and the exponential number of paths, previous path-based models have considered only the problem of predicting a missing relation given two entities or evaluating the truth of a proposed triple. Additionally, these methods have traditionally used random paths between fixed entity pairs or more recently learned to pick paths between them. We propose a new algorithm MINERVA, which addresses the much more difficult and practical task of answering questions where the relation is known, but only one entity. Since random walks are impractical in a setting with combinatorially many destinations from a start node, we present a neural reinforcement learning approach which learns how to navigate the graph conditioned on the input query to find predictive paths. Empirically, this approach obtains state-of-the-art results on several datasets, significantly outperforming prior methods.
We consider the challenging problem of entity typing over an extremely fine grained set of types, wherein a single mention or entity can have many simultaneous and often hierarchically-structured types. Despite the importance of the problem, there is a relative lack of resources in the form of fine-grained, deep type hierarchies aligned to existing knowledge bases. In response, we introduce TypeNet, a dataset of entity types consisting of over 1941 types organized in a hierarchy, obtained by manually annotating a mapping from 1081 Freebase types to WordNet. We also experiment with several models comparable to state-of-the-art systems and explore techniques to incorporate a structure loss on the hierarchy with the standard mention typing loss, as a first step towards future research on this dataset.
Most work in relation extraction forms a prediction by looking at a short span of text within a single sentence containing a single entity pair mention. However, many relation types, particularly in biomedical text, are expressed across sentences or require a large context to disambiguate. We propose a model to consider all mention and entity pairs simultaneously in order to make a prediction. We encode full paper abstracts using an efficient self-attention encoder and form pairwise predictions between all mentions with a bi-affine operation. An entity-pair wise pooling aggregates mention pair scores to make a final prediction while alleviating training noise by performing within document multi-instance learning. We improve our model's performance by jointly training the model to predict named entities and adding an additional corpus of weakly labeled data. We demonstrate our model's effectiveness by achieving the state of the art on the Biocreative V Chemical Disease Relation dataset for models without KB resources, outperforming ensembles of models which use hand-crafted features and additional linguistic resources.
In textual information extraction and other sequence labeling tasks it is now common to use recurrent neural networks (such as LSTM) to form rich embedded representations of long-term input co-occurrence patterns. Representation of output co-occurrence patterns is typically limited to a hand-designed graphical model, such as a linear-chain CRF representing short-term Markov dependencies among successive labels. This paper presents a method that learns embedded representations of latent output structure in sequence data. Our model takes the form of a finite-state machine with a large number of latent states per label (a latent variable CRF), where the state-transition matrix is factorized---effectively forming an embedded representation of state-transitions capable of enforcing long-term label dependencies, while supporting exact Viterbi inference over output labels. We demonstrate accuracy improvements and interpretable latent structure in a synthetic but complex task based on CoNLL named entity recognition.
Recent work in learning ontologies (hierarchical and partially-ordered structures) has leveraged the intrinsic geometry of spaces of learned representations to make predictions that automatically obey complex structural constraints. We explore two extensions of one such model, the order-embedding model for hierarchical relation learning, with an aim towards improved performance on text data for commonsense knowledge representation. Our first model jointly learns ordering relations and non-hierarchical knowledge in the form of raw text. Our second extension exploits the partial order structure of the training data to find long-distance triplet constraints among embeddings which are poorly enforced by the pairwise training procedure. We find that both incorporating free text and augmented training constraints improve over the original order-embedding model and other strong baselines.
Today when many practitioners run basic NLP on the entire web and large-volume traffic, faster methods are paramount to saving time and energy costs. Recent advances in GPU hardware have led to the emergence of bi-directional LSTMs as a standard method for obtaining per-token vector representations serving as input to labeling tasks such as NER (often followed by prediction in a linear-chain CRF). Though expressive and accurate, these models fail to fully exploit GPU parallelism, limiting their computational efficiency. This paper proposes a faster alternative to Bi-LSTMs for NER: Iterated Dilated Convolutional Neural Networks (ID-CNNs), which have better capacity than traditional CNNs for large context and structured prediction. Unlike LSTMs whose sequential processing on sentences of length N requires O(N) time even in the face of parallelism, ID-CNNs permit fixed-depth convolutions to run in parallel across entire documents. We describe a distinct combination of network structure, parameter sharing and training procedures that enable dramatic 14-20x test-time speedups while retaining accuracy comparable to the Bi-LSTM-CRF. Moreover, ID-CNNs trained to aggregate context from the entire document are even more accurate while maintaining 8x faster test time speeds.
Dependency parses are an effective way to inject linguistic knowledge into many downstream tasks, and many practitioners wish to efficiently parse sentences at scale. Recent advances in GPU hardware have enabled neural networks to achieve significant gains over the previous best models, these models still fail to leverage GPUs' capability for massive parallelism due to their requirement of sequential processing of the sentence. In response, we propose Dilated Iterated Graph Convolutional Neural Networks (DIG-CNNs) for graph-based dependency parsing, a graph convolutional architecture that allows for efficient end-to-end GPU parsing. In experiments on the English Penn TreeBank benchmark, we show that DIG-CNNs perform on par with some of the best neural network parsers.
Structured Prediction Energy Networks (SPENs) are a simple, yet expressive family of structured prediction models (Belanger and McCallum, 2016). An energy function over candidate structured outputs is given by a deep network, and predictions are formed by gradient-based optimization. This paper presents end-to-end learning for SPENs, where the energy function is discriminatively trained by back-propagating through gradient-based prediction. In our experience, the approach is substantially more accurate than the structured SVM method of Belanger and McCallum (2016), as it allows us to use more sophisticated non-convex energies. We provide a collection of techniques for improving the speed, accuracy, and memory requirements of end-to-end SPENs, and demonstrate the power of our method on 7-Scenes image denoising and CoNLL-2005 semantic role labeling tasks. In both, inexact minimization of non-convex SPEN energies is superior to baseline methods that use simplistic energy functions that can be minimized exactly.