Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static relationships. We propose the Graph Learning Network (GLN), a simple yet effective process to learn node embeddings and structure prediction functions. Our model uses graph convolutions to propose expected node features, and predict the best structure based on them. We repeat these steps recursively to enhance the prediction and the embeddings.

In this paper, we define and apply representational stability analysis (ReStA), an intuitive way of analyzing neural language models. ReStA is a variant of the popular representational similarity analysis (RSA) in cognitive neuroscience. While RSA can be used to compare representations in models, model components, and human brains, ReStA compares instances of the same model, while systematically varying single model parameter. Using ReStA, we study four recent and successful neural language models, and evaluate how sensitive their internal representations are to the amount of prior context. Using RSA, we perform a systematic study of how similar the representational spaces in the first and second (or higher) layers of these models are to each other and to patterns of activation in the human brain. Our results reveal surprisingly strong differences between language models, and give insights into where the deep linguistic processing, that integrates information over multiple sentences, is happening in these models. The combination of ReStA and RSA on models and brains allows us to start addressing the important question of what kind of linguistic processes we can hope to observe in fMRI brain imaging data. In particular, our results suggest that the data on story reading from Wehbe et al. (2014) contains a signal of shallow linguistic processing, but show no evidence on the more interesting deep linguistic processing.

Analysis methods which enable us to better understand the representations and functioning of neural models of language are increasingly needed as deep learning becomes the dominant approach in NLP. Here we present two methods based on Representational Similarity Analysis (RSA) and Tree Kernels (TK) which allow us to directly quantify how strongly the information encoded in neural activation patterns corresponds to information represented by symbolic structures such as syntax trees. We first validate our methods on the case of a simple synthetic language for arithmetic expressions with clearly defined syntax and semantics, and show that they exhibit the expected pattern of results. We then apply our methods to correlate neural representations of English sentences with their constituency parse trees.

A widespread approach to processing spoken language is to first automatically transcribe it into text. An alternative is to use an end-to-end approach: recent works have proposed to learn semantic embeddings of spoken language from images with spoken captions, without an intermediate transcription step. We propose to use multitask learning to exploit existing transcribed speech within the end-to-end setting. We describe a three-task architecture which combines the objectives of matching spoken captions with corresponding images, speech with text, and text with images. We show that the addition of the speech/text task leads to substantial performance improvements on image retrieval when compared to training the speech/image task in isolation. We conjecture that this is due to a strong inductive bias transcribed speech provides to the model, and offer supporting evidence for this.

The idea of Artificial Intelligence (AI) has a long history. It turned out, however, that reaching intelligence at human levels is more complicated than originally anticipated. Currently we are experiencing a renewed interest in AI, fueled by an enormous increase in computing power and an even larger increase in data, in combination with improved AI technologies like deep learning. Healthcare is considered the next domain to be revolutionized by Artificial Intelligence. While AI approaches are excellently suited to develop certain algorithms, for biomedical applications there are specific challenges. We propose recommendations to improve AI projects in the biomedical space and especially clinical healthcare.

In current clinical practice, electroencephalograms (EEG) are reviewed and analyzed by well-trained neurologists to provide supports for therapeutic decisions. The way of manual reviewing is labor-intensive and error prone. Automatic and accurate seizure/nonseizure classification methods are needed. One major problem is that the EEG signals for seizure state and nonseizure state exhibit considerable variations. In order to capture essential seizure features, this paper integrates an emerging deep learning model, the independently recurrent neural network (IndRNN), with a dense structure and an attention mechanism to exploit temporal and spatial discriminating features and overcome seizure variabilities. The dense structure is to ensure maximum information flow between layers. The attention mechanism is to capture spatial features. Evaluations are performed in cross-validation experiments over the noisy CHB-MIT data set. The obtained average sensitivity, specificity and precision of 88.80%, 88.60% and 88.69% are better than using the current state-of-the-art methods. In addition, we explore how the segment length affects the classification performance. Thirteen different segment lengths are assessed, showing that the classification performance varies over the segment lengths, and the maximal fluctuating margin is more than 4%. Thus, the segment length is an important factor influencing the classification performance.

We propose a Bayesian approach to spectral graph convolutional networks (GCNs) where the graph parameters are considered as random variables. We develop an inference algorithm to estimate the posterior over these parameters and use it to incorporate prior information that is not naturally considered by standard GCN. The key to our approach is to define a smooth posterior parameterization over the adjacency matrix characterizing the graph, which we estimate via stochastic variational inference. Our experiments show that we can outperform standard GCN methods in the task of semi-supervised classification in noisy-graph regimes.

Using machine learning in high-stakes applications often requires predictions to be accompanied by explanations comprehensible to the domain user, who has ultimate responsibility for decisions and outcomes. Recently, a new framework for providing explanations, called TED, has been proposed to provide meaningful explanations for predictions. This framework augments training data to include explanations elicited from domain users, in addition to features and labels. This approach ensures that explanations for predictions are tailored to the complexity expectations and domain knowledge of the consumer. In this paper, we build on this foundational work, by exploring more sophisticated instantiations of the TED framework and empirically evaluate their effectiveness in two diverse domains, chemical odor and skin cancer prediction. Results demonstrate that meaningful explanations can be reliably taught to machine learning algorithms, and in some cases, improving modeling accuracy.

We present an approach to make molecular optimization more efficient. We infer a hypergraph replacement grammar from the ChEMBL database, count the frequencies of particular rules being used to expand particular nonterminals in other rules, and use these as conditional priors for the policy model. Simulating random molecules from the resulting probabilistic grammar, we show that conditional priors result in a molecular distribution closer to the training set than using equal rule probabilities or unconditional priors. We then treat molecular optimization as a reinforcement learning problem, using a novel modification of the policy gradient algorithm - batch-advantage: using individual rewards minus the batch average reward to weight the log probability loss. The reinforcement learning agent is tasked with building molecules using this grammar, with the goal of maximizing benchmark scores available from the literature. To do so, the agent has policies both to choose the next node in the graph to expand and to select the next grammar rule to apply. The policies are implemented using the Transformer architecture with the partially expanded graph as the input at each step. We show that using the empirical priors as the starting point for a policy eliminates the need for pre-training, and allows us to reach optima faster. We achieve competitive performance on common benchmarks from the literature, such as penalized logP and QED, with only hundreds of training steps on a budget GPU instance.

We present a syntax-infused variational autoencoder (SIVAE), that integrates sentences with their syntactic trees to improve the grammar of generated sentences. Distinct from existing VAE-based text generative models, SIVAE contains two separate latent spaces, for sentences and syntactic trees. The evidence lower bound objective is redesigned correspondingly, by optimizing a joint distribution that accommodates two encoders and two decoders. SIVAE works with long short-term memory architectures to simultaneously generate sentences and syntactic trees. Two versions of SIVAE are proposed: one captures the dependencies between the latent variables through a conditional prior network, and the other treats the latent variables independently such that syntactically-controlled sentence generation can be performed. Experimental results demonstrate the generative superiority of SIVAE on both reconstruction and targeted syntactic evaluations. Finally, we show that the proposed models can be used for unsupervised paraphrasing given different syntactic tree templates.