Leveraging new data sources is a key step in accelerating the pace of materials design and discovery. To complement the strides in synthesis planning driven by historical, experimental, and computed data, we present an automated method for connecting scientific literature to synthesis insights. Starting from natural language text, we apply word embeddings from language models, which are fed into a named entity recognition model, upon which a conditional variational autoencoder is trained to generate syntheses for arbitrary materials. We show the potential of this technique by predicting precursors for two perovskite materials, using only training data published over a decade prior to their first reported syntheses. We demonstrate that the model learns representations of materials corresponding to synthesis-related properties, and that the model's behavior complements existing thermodynamic knowledge. Finally, we apply the model to perform synthesizability screening for proposed novel perovskite compounds.
Materials science literature contains millions of materials synthesis procedures described in unstructured natural language text. Largescale analysis of these synthesis procedures would facilitate deeper scientific understanding of materials synthesis and enable automated synthesis planning. Such analysis requires extracting structured representations of synthesis procedures from the raw text as a first step. To facilitate the training and evaluation of synthesis extraction models, we introduce a dataset of 230 synthesis procedures annotated by domain experts with labeled graphs that express the semantics of the synthesis sentences. The nodes in this graph are synthesis operations and their typed arguments, and labeled edges specify relations between the nodes. We describe this new resource in detail and highlight some specific challenges to annotating scientific text with shallow semantic structure. We make the corpus available to the community to promote further research and development of scientific information extraction systems.
Abstract-This paper presents a saliency-based video object extraction (VOE) framework. The proposed framework aims to automatically extract foreground objects of interest without any user interaction or the use of any training data (i.e., not limited to any particular type of object). To separate foreground and background regions within and across video frames, the proposed method utilizes visual and motion saliency information extracted from the input video. A conditional random field is applied to effectively combine the saliency induced features, which allows us to deal with unknown pose and scale variations of the foreground object (and its articulated parts). Based on the ability to preserve both spatial continuity and temporal consistency in the proposed VOE framework, experiments on a variety of videos verify that our method is able to produce quantitatively and qualitatively satisfactory VOE results.Index Terms-Conditional random field (CRF), video object extraction (VOE), visual saliency.
Modeling hypernymy, such as poodle is-a dog, is an important generalization aid to many NLP tasks, such as entailment, coreference, relation extraction, and question answering. Supervised learning from labeled hypernym sources, such as WordNet, limits the coverage of these models, which can be addressed by learning hypernyms from unlabeled text. Existing unsupervised methods either do not scale to large vocabularies or yield unacceptably poor accuracy. This paper introduces distributional inclusion vector embedding (DIVE), a simple-to-implement unsupervised method of hypernym discovery via per-word non-negative vector embeddings which preserve the inclusion property of word contexts in a low-dimensional and interpretable space. In experimental evaluations more comprehensive than any previous literature of which we are aware-evaluating on 11 datasets using multiple existing as well as newly proposed scoring functions-we find that our method provides up to double the precision of previous unsupervised embeddings, and the highest average performance, using a much more compact word representation, and yielding many new state-of-the-art results.
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