In this work, we propose a method to reject out-of-distribution samples which can be adapted to any network architecture and requires no additional training data. Publicly available chest x-ray data (38,353 images) is used to train a standard ResNet-50 model to detect emphysema. Feature activations of intermediate layers are used as descriptors defining the training data distribution. A novel metric, FRODO, is measured by using the Mahalanobis distance of a new test sample to the training data distribution. The method is tested using a held-out test dataset of 21,176 chest x-rays (in-distribution) and a set of 14,821 out-of-distribution x-ray images of incorrect orientation or anatomy. In classifying test samples as in or out-of distribution, our method achieves an AUC score of 0.99.

Deep learning methods are increasingly being used with neuroimaging data like structural and function magnetic resonance imaging (MRI) to predict the diagnosis of neuropsychiatric and neurological disorders. For psychiatric disorders in particular, it is believed that one of the most promising modality is the resting-state functional MRI (rsfMRI), which captures the intrinsic connectivity between regions in the brain. Because rsfMRI data points are inherently high-dimensional (~1M), it is impossible to process the entire input in its raw form. In this paper, we propose a very simple transformation of the rsfMRI images that captures all of the temporal dynamics of the signal but sub-samples its spatial extent. As a result, we use a very simple 1-D convolutional network which is fast to train, requires minimal preprocessing and performs at par with the state-of-the-art on the classification of Autism spectrum disorders.

Many Machine Learning algorithms, such as deep neural networks, have long been criticized for being "black-boxes"-a kind of models unable to provide how it arrive at a decision without further efforts to interpret. This problem has raised concerns on model applications' trust, safety, nondiscrimination, and other ethical issues. In this paper, we discuss the machine learning interpretability of a real-world application, eXtreme Multi-label Learning (XML), which involves learning models from annotated data with many pre-defined labels. We propose a two-step XML approach that combines deep non-negative autoencoder with other multi-label classifiers to tackle different data applications with a large number of labels. Our experimental result shows that the proposed approach is able to cope with many-label problems as well as to provide interpretable label hierarchies and dependencies that helps us understand how the model recognizes the existences of objects in an image.

The application of deep learning (DL) models to the decoding of cognitive states from whole-brain functional Magnetic Resonance Imaging (fMRI) data is often hindered by the small sample size and high dimensionality of these datasets. Especially, in clinical settings, where patient data are scarce. In this work, we demonstrate that transfer learning represents a solution to this problem. Particularly, we show that a DL model, which has been previously trained on a large openly available fMRI dataset of the Human Connectome Project, outperforms a model variant with the same architecture, but which is trained from scratch, when both are applied to the data of a new, unrelated fMRI task. Even further, the pre-trained DL model variant is already able to correctly decode 67.51% of the cognitive states from a test dataset with 100 individuals, when fine-tuned on a dataset of the size of only three subjects.

Despite continuing medical advances, the rate of newborn morbidity and mortality globally remains high, with over 6 million casualties every year. The prediction of pathologies affecting newborns based on their cry is thus of significant clinical interest, as it would facilitate the development of accessible, low-cost diagnostic tools\cut{ based on wearables and smartphones}. However, the inadequacy of clinically annotated datasets of infant cries limits progress on this task. This study explores a neural transfer learning approach to developing accurate and robust models for identifying infants that have suffered from perinatal asphyxia. In particular, we explore the hypothesis that representations learned from adult speech could inform and improve performance of models developed on infant speech. Our experiments show that models based on such representation transfer are resilient to different types and degrees of noise, as well as to signal loss in time and frequency domains.

Medical image registration is one of the key processing steps for biomedical image analysis such as cancer diagnosis. Recently, deep learning based supervised and unsupervised image registration methods have been extensively studied due to its excellent performance in spite of ultra-fast computational time compared to the classical approaches. In this paper, we present a novel unsupervised medical image registration method that trains deep neural network for deformable registration of 3D volumes using a cycle-consistency. Thanks to the cycle consistency, the proposed deep neural networks can take diverse pair of image data with severe deformation for accurate registration. Experimental results using multiphase liver CT images demonstrate that our method provides very precise 3D image registration within a few seconds, resulting in more accurate cancer size estimation.

Transformer networks have lead to important progress in language modeling and machine translation. These models include two consecutive modules, a feed-forward layer and a self-attention layer. The latter allows the network to capture long term dependencies and are often regarded as the key ingredient in the success of Transformers. Building upon this intuition, we propose a new model that solely consists of attention layers. More precisely, we augment the self-attention layers with persistent memory vectors that play a similar role as the feed-forward layer. Thanks to these vectors, we can remove the feed-forward layer without degrading the performance of a transformer. Our evaluation shows the benefits brought by our model on standard character and word level language modeling benchmarks.

Materials discovery is decisive for tackling urgent challenges related to energy, the environment, health care and many others. In chemistry, conventional methodologies for innovation usually rely on expensive and incremental strategies to optimize properties from molecular structures. On the other hand, inverse approaches map properties to structures, thus expediting the design of novel useful compounds. In this chapter, we examine the way in which current deep generative models are addressing the inverse chemical discovery paradigm. We begin by revisiting early inverse design algorithms. Then, we introduce generative models for molecular systems and categorize them according to their architecture and molecular representation. Using this classification, we review the evolution and performance of important molecular generation schemes reported in the literature. Finally, we conclude highlighting the prospects and challenges of generative models as cutting edge tools in materials discovery.

Articulatory distinctive features, as well as phonetic transcription, play important role in speech-related tasks: computer-assisted pronunciation training, text-to-speech conversion (TTS), studying speech production mechanisms, speech recognition for low-resourced languages. End-to-end approaches to speech-related tasks got a lot of traction in recent years. We apply Listen, Attend and Spell~(LAS)~\cite{Chan-LAS2016} architecture to phones recognition on a small small training set, like TIMIT~\cite{TIMIT-1992}. Also, we introduce a novel decoding technique that allows to train manners and places of articulation detectors end-to-end using attention models. We also explore joint phones recognition and articulatory features detection in multitask learning setting.

Conventional sequential learning methods such as Recurrent Neural Networks (RNNs) focus on interactions between consecutive inputs, i.e. first-order Markovian dependency. However, most of sequential data, as seen with videos, have complex temporal dependencies that imply variable-length semantic flows and their compositions, and those are hard to be captured by conventional methods. Here, we propose Temporal Dependency Networks (TDNs) for learning video data by discovering these complex structures of the videos. The TDNs represent video as a graph whose nodes and edges correspond to frames of the video and their dependencies respectively. Via a parameterized kernel with graph-cut and graph convolutions, the TDNs find compositional temporal dependencies of the data in multilevel graph forms. We evaluate the proposed method on the large-scale video dataset Youtube-8M. The experimental results show that our model efficiently learns the complex semantic structure of video data.