Related papers: RxnScribe: A Sequence Generation Model for Reactio…

Modeling the structure of coherent texts is a key NLP problem. The task of coherently organizing a given set of sentences has been commonly used to build and evaluate models that understand such structure. We propose an end-to-end…

I introduce a formalism for representing the syntax of recursively structured graph-like patterns. It does not use production rules, like a conventional graph grammar, but represents the syntactic structure in a more direct and declarative…

Sequence-to-sequence models have been applied to the conversation response generation problem where the source sequence is the conversation history and the target sequence is the response. Unlike translation, conversation responding is…

Graph transformation formalisms have proven to be suitable tools for the modelling of chemical reactions. They are well established in theoretical studies and increasingly also in practical applications in chemistry. The latter is made…

We introduce a mathematical framework for retrosynthetic analysis, an important research method in synthetic chemistry. Our approach represents molecules and their interaction using string diagrams in layered props - a recently introduced…

Rhetorical structure trees have been shown to be useful for several document-level tasks including summarization and document classification. Previous approaches to RST parsing have used discriminative models; however, these are less sample…

Expressive text encoders such as RNNs and Transformer Networks have been at the center of NLP models in recent work. Most of the effort has focused on sentence-level tasks, capturing the dependencies between words in a single sentence, or…

Transforming dense, detailed, unstructured text into an interpretable and summarised table, also colloquially known as Text-to-Table generation, is an essential task for information retrieval. Current methods, however, miss out on how and…

Generating facial reactions in a human-human dyadic interaction is complex and highly dependent on the context since more than one facial reactions can be appropriate for the speaker's behaviour. This has challenged existing machine…

This paper proposes a novel Recurrent Neural Network (RNN) language model that takes advantage of character information. We focus on character n-grams based on research in the field of word embedding construction (Wieting et al. 2016). Our…

Recurrent Neural Networks can be trained to produce sequences of tokens given some input, as exemplified by recent results in machine translation and image captioning. The current approach to training them consists of maximizing the…

Motivation: The design of enzymes is as challenging as it is consequential for making chemical synthesis in medical and industrial applications more efficient, cost-effective and environmentally friendly. While several aspects of this…

Deep generative models are able to suggest new organic molecules by generating strings, trees, and graphs representing their structure. While such models allow one to generate molecules with desirable properties, they give no guarantees…

Recent deep learning based approaches have achieved great success on handwriting recognition. Chinese characters are among the most widely adopted writing systems in the world. Previous research has mainly focused on recognizing handwritten…

Explainable Graph Neural Networks (GNNs) have been developed and applied to drug-protein binding prediction to identify the key chemical structures in a drug that have active interactions with the target proteins. However, the key…

Several previous studies on explanation for recurrent neural networks focus on approaches that find the most important input segments for a network as its explanations. In that case, the manner in which these input segments combine with…

A fundamental problem in computational chemistry is to find a set of reactants to synthesize a target molecule, a.k.a. retrosynthesis prediction. Existing state-of-the-art methods rely on matching the target molecule with a large set of…

We investigate response selection for multi-turn conversation in retrieval-based chatbots. Existing studies pay more attention to the matching between utterances and responses by calculating the matching score based on learned features,…

A booming amount of information is continuously added to the Internet as structured and unstructured data, feeding knowledge bases such as DBpedia and Wikidata with billions of statements describing millions of entities. The aim of Question…

Many real-world prediction tasks, particularly those involving entities such as customers or patients, involve both {sequential} and {relational} data. Each entity maintains its own sequence of events while simultaneously engaging in…