A pharmacological effect of a drug on cells, organs and systems refers to the specific biochemical interaction produced by a drug substance, which is called its mechanism of action. Drug repositioning (or drug repurposing) is a fundamental problem for the identification of new opportunities for the use of already approved or failed drugs. In this paper, we present a method based on a multi-relation unsupervised graph embedding model that learns latent representations for drugs and diseases so that the distance between these representations reveals repositioning opportunities. Once representations for drugs and diseases are obtained we learn the likelihood of new links (that is, new indications) between drugs and diseases. Known drug indications are used for learning a model that predicts potential indications. Compared with existing unsupervised graph embedding methods our method shows superior prediction performance in terms of area under the ROC curve, and we present examples of repositioning opportunities found on recent biomedical literature that were also predicted by our method.

We introduce Bayesian Bits, a practical method for joint mixed precision quantization and pruning through gradient based optimization. Bayesian Bits employs a novel decomposition of the quantization operation, which sequentially considers doubling the bit width. At each new bit width, the residual error between the full precision value and the previously rounded value is quantized. We then decide whether or not to add this quantized residual error for a higher effective bit width and lower quantization noise. By starting with a power-of-two bit width, this decomposition will always produce hardware-friendly configurations, and through an additional 0-bit option, serves as a unified view of pruning and quantization. Bayesian Bits then introduces learnable stochastic gates, which collectively control the bit width of the given tensor. As a result, we can obtain low bit solutions by performing approximate inference over the gates, with prior distributions that encourage most of them to be switched off. We further show that, under some assumptions, L0 regularization of the network parameters corresponds to a specific instance of the aforementioned framework. We experimentally validate our proposed method on several benchmark datasets and show that we can learn pruned, mixed precision networks that provide a better trade-off between accuracy and efficiency than their static bit width equivalents.

Online Social Networks have become an important medium for communication among people who suffer from mental disorders to share moments of hardship and to seek support. Here we analyze how Reddit discussions can help improve the health conditions of its users. Using emotional tone of user publications as a proxy for his emotional state, we uncover relationships between state changes and interactions he has in a given community. We observe that authors of negative posts often write more positive comments after engaging in discussions. Second, we build models based on state-of-the-art embedding techniques and RNNs to predict shifts in emotional tone. We show that it is possible to predict with good accuracy the reaction of users of mental disorder online communities to the interactions experienced in these platforms. Our models could assist in interventions promoted by health care professionals to provide support to people suffering from mental health illnesses.

Tensor networks (TN) have found a wide use in machine learning, and in particular, TN and deep learning bear striking similarities. In this work, we propose the quantum-classical hybrid tensor networks (HTN) which combine tensor networks with classical neural networks in a uniform deep learning framework to overcome the limitations of regular tensor networks in machine learning. We first analyze the limitations of regular tensor networks in the applications of machine learning involving the representation power and architecture scalability. We conclude that in fact the regular tensor networks are not competent to be the basic building blocks of deep learning. Then, we discuss the performance of HTN which overcome all the deficiency of regular tensor networks for machine learning. In this sense, we are able to train HTN in the deep learning way which is the standard combination of algorithms such as Back Propagation and Stochastic Gradient Descent. We finally provide two applicable cases to show the potential applications of HTN, including quantum states classification and quantum-classical autoencoder. These cases also demonstrate the great potentiality to design various HTN in deep learning way.

The brain electrical activity presents several short events during sleep that can be observed as distinctive micro-structures in the electroencephalogram (EEG), such as sleep spindles and K-complexes. These events have been associated with biological processes and neurological disorders, making them a research topic in sleep medicine. However, manual detection limits their study because it is time-consuming and affected by significant inter-expert variability, motivating automatic approaches. We propose a deep learning approach based on convolutional and recurrent neural networks for sleep EEG event detection called Recurrent Event Detector (RED). RED uses one of two input representations: a) the time-domain EEG signal, or b) a complex spectrogram of the signal obtained with the Continuous Wavelet Transform (CWT). Unlike previous approaches, a fixed time window is avoided and temporal context is integrated to better emulate the visual criteria of experts. When evaluated on the MASS dataset, our detectors outperform the state of the art in both sleep spindle and K-complex detection with a mean F1-score of at least 80.9% and 82.6%, respectively. Although the CWT-domain model obtained a similar performance than its time-domain counterpart, the former allows in principle a more interpretable input representation due to the use of a spectrogram. The proposed approach is event-agnostic and can be used directly to detect other types of sleep events.

We consider the problem of hiding wireless communications from an eavesdropper that employs a deep learning (DL) classifier to detect whether any transmission of interest is present or not. There exists one transmitter that transmits to its receiver in the presence of an eavesdropper, while a cooperative jammer (CJ) transmits carefully crafted adversarial perturbations over the air to fool the eavesdropper into classifying the received superposition of signals as noise. The CJ puts an upper bound on the strength of perturbation signal to limit its impact on the bit error rate (BER) at the receiver. We show that this adversarial perturbation causes the eavesdropper to misclassify the received signals as noise with high probability while increasing the BER only slightly. On the other hand, the CJ cannot fool the eavesdropper by simply transmitting Gaussian noise as in conventional jamming and instead needs to craft perturbation signals built by adversarial machine learning to enable covert communications. Our results show that signals with different modulation types and eventually 5G communications can be effectively hidden from an eavesdropper even if it is equipped with a DL classifier to detect transmissions.

We propose a software framework based on the ideas of the Learning-Compression (LC) algorithm, that allows a user to compress a neural network or other machine learning model using different compression schemes with minimal effort. Currently, the supported compressions include pruning, quantization, low-rank methods (including automatically learning the layer ranks), and combinations of those, and the user can choose different compression types for different parts of a neural network. The LC algorithm alternates two types of steps until convergence: a learning (L) step, which trains a model on a dataset (using an algorithm such as SGD); and a compression (C) step, which compresses the model parameters (using a compression scheme such as low-rank or quantization). This decoupling of the "machine learning" aspect from the "signal compression" aspect means that changing the model or the compression type amounts to calling the corresponding subroutine in the L or C step, respectively. The library fully supports this by design, which makes it flexible and extensible. This does not come at the expense of performance: the runtime needed to compress a model is comparable to that of training the model in the first place; and the compressed model is competitive in terms of prediction accuracy and compression ratio with other algorithms (which are often specialized for specific models or compression schemes). The library is written in Python and PyTorch and available in Github.

The training dynamics of hidden layers in deep learning are poorly understood in theory. Recently, the Information Plane (IP) was proposed to analyze them, which is based on the information-theoretic concept of mutual information (MI). The Information Bottleneck (IB) theory predicts that layers maximize relevant information and compress irrelevant information. Due to the limitations in MI estimation from samples, there is an ongoing debate about the properties of the IP for the supervised learning case. In this work, we derive a theoretical convergence for the IP of autoencoders. The theory predicts that ideal autoencoders with a large bottleneck layer size do not compress input information, whereas a small size causes compression only in the encoder layers. For the experiments, we use a Gram-matrix based MI estimator recently proposed in the literature. We propose a new rule to adjust its parameters that compensates scale and dimensionality effects. Using our proposed rule, we obtain experimental IPs closer to the theory. Our theoretical IP for autoencoders could be used as a benchmark to validate new methods to estimate MI in neural networks. In this way, experimental limitations could be recognized and corrected, helping with the ongoing debate on the supervised learning case.

Currently, the divergence in distributions of design and operational data, and large computational complexity are limiting factors in the adoption of CNNs in real-world applications. For instance, person re-identification systems typically rely on a distributed set of cameras, where each camera has different capture conditions. This can translate to a considerable shift between source (e.g. lab setting) and target (e.g. operational camera) domains. Given the cost of annotating image data captured for fine-tuning in each target domain, unsupervised domain adaptation (UDA) has become a popular approach to adapt CNNs. Moreover, state-of-the-art deep learning models that provide a high level of accuracy often rely on architectures that are too complex for real-time applications. Although several compression and UDA approaches have recently been proposed to overcome these limitations, they do not allow optimizing a CNN to simultaneously address both. In this paper, we propose an unexplored direction -- the joint optimization of CNNs to provide a compressed model that is adapted to perform well for a given target domain. In particular, the proposed approach performs unsupervised knowledge distillation (KD) from a complex teacher model to a compact student model, by leveraging both source and target data. It also improves upon existing UDA techniques by progressively teaching the student about domain-invariant features, instead of directly adapting a compact model on target domain data. Our method is compared against state-of-the-art compression and UDA techniques, using two popular classification datasets for UDA -- Office31 and ImageClef-DA. In both datasets, results indicate that our method can achieve the highest level of accuracy while requiring a comparable or lower time complexity.

Recent developments in the filed of Deep Learning have demonstrated that Deep Neural Networks(DNNs) are vulnerable to adversarial examples. Specifically, in image classification, an adversarial example can fool the well trained deep neural networks by adding barely imperceptible perturbations to clean images. Adversarial Training, one of the most direct and effective methods, minimizes the losses of perturbed-data to learn robust deep networks against adversarial attacks. It has been proven that using the fast gradient sign method (FGSM) can achieve Fast Adversarial Training. However, FGSM-based adversarial training may finally obtain a failed model because of overfitting to FGSM samples. In this paper, we proposed the Diversified Initialized Perturbations Adversarial Training (DIP-FAT) which involves seeking the initialization of the perturbation via enlarging the output distances of the target model in a random directions. Due to the diversity of random directions, the embedded fast adversarial training using FGSM increases the information from the adversary and reduces the possibility of overfitting. In addition to preventing overfitting, the extensive results show that our proposed DIP-FAT technique can also improve the accuracy of the clean data. The biggest advantage of DIP-FAT method: achieving the best banlance among clean-data, perturbed-data and efficiency.