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Outlier detection (OD) is a key machine learning (ML) task for identifying abnormal objects from general samples with numerous high-stake applications including fraud detection and intrusion detection. Due to the lack of ground truth labels, practitioners often have to build a large number of unsupervised, heterogeneous models (i.e., different algorithms with varying hyperparameters) for further combination and analysis, rather than relying on a single model. How to accelerate the training and scoring on new-coming samples by outlyingness (referred as prediction throughout the paper) with a large number of unsupervised, heterogeneous OD models? In this study, we propose a modular acceleration system, called SUOD, to address it. The proposed system focuses on three complementary acceleration aspects (data reduction for high-dimensional data, approximation for costly models, and taskload imbalance optimization for distributed environment), while maintaining performance accuracy. Extensive experiments on more than 20 benchmark datasets demonstrate SUOD's effectiveness in heterogeneous OD acceleration, along with a real-world deployment case on fraudulent claim analysis at IQVIA, a leading healthcare firm. We open-source SUOD for reproducibility and accessibility., Comment: Proceedings of the 4th Conference on Machine Learning and Systems (MLSys). The code is available at see http://github.com/yzhao062/SUOD. arXiv admin note: text overlap with arXiv:2002.03222

Generating clinical reports from raw recordings such as X-rays and electroencephalogram (EEG) is an essential and routine task for doctors. However, it is often time-consuming to write accurate and detailed reports. Most existing methods try to generate the whole reports from the raw input with limited success because 1) generated reports often contain errors that need manual review and correction, 2) it does not save time when doctors want to write additional information into the report, and 3) the generated reports are not customized based on individual doctors' preference. We propose {\it CL}inic{\it A}l {\it R}eport {\it A}uto-completion (CLARA), an interactive method that generates reports in a sentence by sentence fashion based on doctors' anchor words and partially completed sentences. CLARA searches for most relevant sentences from existing reports as the template for the current report. The retrieved sentences are sequentially modified by combining with the input feature representations to create the final report. In our experimental evaluation, CLARA achieved 0.393 CIDEr and 0.248 BLEU-4 on X-ray reports and 0.482 CIDEr and 0.491 BLEU-4 for EEG reports for sentence-level generation, which is up to 35% improvement over the best baseline. Also via our qualitative evaluation, CLARA is shown to produce reports which have a significantly higher level of approval by doctors in a user study (3.74 out of 5 for CLARA vs 2.52 out of 5 for the baseline).

In recent years, significant attention has been devoted towards integrating deep learning technologies in the healthcare domain. However, to safely and practically deploy deep learning models for home health monitoring, two significant challenges must be addressed: the models should be (1) robust against noise; and (2) compact and energy-efficient. We propose REST, a new method that simultaneously tackles both issues via 1) adversarial training and controlling the Lipschitz constant of the neural network through spectral regularization while 2) enabling neural network compression through sparsity regularization. We demonstrate that REST produces highly-robust and efficient models that substantially outperform the original full-sized models in the presence of noise. For the sleep staging task over single-channel electroencephalogram (EEG), the REST model achieves a macro-F1 score of 0.67 vs. 0.39 achieved by a state-of-the-art model in the presence of Gaussian noise while obtaining 19x parameter reduction and 15x MFLOPS reduction on two large, real-world EEG datasets. By deploying these models to an Android application on a smartphone, we quantitatively observe that REST allows models to achieve up to 17x energy reduction and 9x faster inference. We open-source the code repository with this paper: https://github.com/duggalrahul/REST., Comment: Accepted to WWW 2020

Deep learning has demonstrated success in health risk prediction especially for patients with chronic and progressing conditions. Most existing works focus on learning disease Network (StageNet) model to extract disease stage information from patient data and integrate it into risk prediction. StageNet is enabled by (1) a stage-aware long short-term memory (LSTM) module that extracts health stage variations unsupervisedly; (2) a stage-adaptive convolutional module that incorporates stage-related progression patterns into risk prediction. We evaluate StageNet on two real-world datasets and show that StageNet outperforms state-of-the-art models in risk prediction task and patient subtyping task. Compared to the best baseline model, StageNet achieves up to 12% higher AUPRC for risk prediction task on two real-world patient datasets. StageNet also achieves over 58% higher Calinski-Harabasz score (a cluster quality metric) for a patient subtyping task.

Clinical trials are essential for drug development but often suffer from expensive, inaccurate and insufficient patient recruitment. The core problem of patient-trial matching is to find qualified patients for a trial, where patient information is stored in electronic health records (EHR) while trial eligibility criteria (EC) are described in text documents available on the web. How to represent longitudinal patient EHR? How to extract complex logical rules from EC? Most existing works rely on manual rule-based extraction, which is time consuming and inflexible for complex inference. To address these challenges, we proposed DeepEnroll, a cross-modal inference learning model to jointly encode enrollment criteria (text) and patients records (tabular data) into a shared latent space for matching inference. DeepEnroll applies a pre-trained Bidirectional Encoder Representations from Transformers(BERT) model to encode clinical trial information into sentence embedding. And uses a hierarchical embedding model to represent patient longitudinal EHR. In addition, DeepEnroll is augmented by a numerical information embedding and entailment module to reason over numerical information in both EC and EHR. These encoders are trained jointly to optimize patient-trial matching score. We evaluated DeepEnroll on the trial-patient matching task with demonstrated on real world datasets. DeepEnroll outperformed the best baseline by up to 12.4% in average F1., Comment: accepted by The World Wide Web Conference 2020

Background:The electrocardiogram (ECG) is one of the most commonly used diagnostic tools in medicine and healthcare. Deep learning methods have achieved promising results on predictive healthcare tasks using ECG signals. Objective:This paper presents a systematic review of deep learning methods for ECG data from both modeling and application perspectives. Methods:We extracted papers that applied deep learning (deep neural network) models to ECG data that were published between Jan. 1st of 2010 and Feb. 29th of 2020 from Google Scholar, PubMed, and the DBLP. We then analyzed each article according to three factors: tasks, models, and data. Finally, we discuss open challenges and unsolved problems in this area. Results: The total number of papers extracted was 191. Among these papers, 108 were published after 2019. Different deep learning architectures have been used in various ECG analytics tasks, such as disease detection/classification, annotation/localization, sleep staging, biometric human identification, and denoising. Conclusion: The number of works on deep learning for ECG data has grown explosively in recent years. Such works have achieved accuracy comparable to that of traditional feature-based approaches and ensembles of multiple approaches can achieve even better results. Specifically, we found that a hybrid architecture of a convolutional neural network and recurrent neural network ensemble using expert features yields the best results. However, there are some new challenges and problems related to interpretability, scalability, and efficiency that must be addressed. Furthermore, it is also worth investigating new applications from the perspectives of datasets and methods. Significance: This paper summarizes existing deep learning research using ECG data from multiple perspectives and highlights existing challenges and problems to identify potential future research directions., Comment: Accepted by Computers in Biology and Medicine

Rare diseases affect hundreds of millions of people worldwide but are hard to detect since they have extremely low prevalence rates (varying from 1/1,000 to 1/200,000 patients) and are massively underdiagnosed. How do we reliably detect rare diseases with such low prevalence rates? How to further leverage patients with possibly uncertain diagnosis to improve detection? In this paper, we propose a Complementary pattern Augmentation (CONAN) framework for rare disease detection. CONAN combines ideas from both adversarial training and max-margin classification. It first learns self-attentive and hierarchical embedding for patient pattern characterization. Then, we develop a complementary generative adversarial networks (GAN) model to generate candidate positive and negative samples from the uncertain patients by encouraging a max-margin between classes. In addition, CONAN has a disease detector that serves as the discriminator during the adversarial training for identifying rare diseases. We evaluated CONAN on two disease detection tasks. For low prevalence inflammatory bowel disease (IBD) detection, CONAN achieved .96 precision recall area under the curve (PR-AUC) and 50.1% relative improvement over best baseline. For rare disease idiopathic pulmonary fibrosis (IPF) detection, CONAN achieves .22 PR-AUC with 41.3% relative improvement over the best baseline.

Massive electronic health records (EHRs) enable the success of learning accurate patient representations to support various predictive health applications. In contrast, doctor representation was not well studied despite that doctors play pivotal roles in healthcare. How to construct the right doctor representations? How to use doctor representation to solve important health analytic problems? In this work, we study the problem on {\it clinical trial recruitment}, which is about identifying the right doctors to help conduct the trials based on the trial description and patient EHR data of those doctors. We propose doctor2vec which simultaneously learns 1) doctor representations from EHR data and 2) trial representations from the description and categorical information about the trials. In particular, doctor2vec utilizes a dynamic memory network where the doctor's experience with patients are stored in the memory bank and the network will dynamically assign weights based on the trial representation via an attention mechanism. Validated on large real-world trials and EHR data including 2,609 trials, 25K doctors and 430K patients, doctor2vec demonstrated improved performance over the best baseline by up to $8.7\%$ in PR-AUC. We also demonstrated that the doctor2vec embedding can be transferred to benefit data insufficiency settings including trial recruitment in less populated/newly explored country with $13.7\%$ improvement or for rare diseases with $8.1\%$ improvement in PR-AUC., Comment: Accepted by AAAI 2020

Molecule optimization is about generating molecule $Y$ with more desirable properties based on an input molecule $X$. The state-of-the-art approaches partition the molecules into a large set of substructures $S$ and grow the new molecule structure by iteratively predicting which substructure from $S$ to add. However, since the set of available substructures $S$ is large, such an iterative prediction task is often inaccurate especially for substructures that are infrequent in the training data. To address this challenge, we propose a new generating strategy called "Copy & Refine" (CORE), where at each step the generator first decides whether to copy an existing substructure from input $X$ or to generate a new substructure, then the most promising substructure will be added to the new molecule. Combining together with scaffolding tree generation and adversarial training, CORE can significantly improve several latest molecule optimization methods in various measures including drug likeness (QED), dopamine receptor (DRD2) and penalized LogP. We tested CORE and baselines using the ZINC database and CORE obtained up to 11% and 21% relatively improvement over the baselines on success rate on the complete test set and the subset with infrequent substructures, respectively., Comment: Accepted by AAAI 2020

We propose Cluster Pruning (CUP) for compressing and accelerating deep neural networks. Our approach prunes similar filters by clustering them based on features derived from both the incoming and outgoing weight connections. With CUP, we overcome two limitations of prior work-(1) non-uniform pruning: CUP can efficiently determine the ideal number of filters to prune in each layer of a neural network. This is in contrast to prior methods that either prune all layers uniformly or otherwise use resource-intensive methods such as manual sensitivity analysis or reinforcement learning to determine the ideal number. (2) Single-shot operation: We extend CUP to CUP-SS (for CUP single shot) whereby pruning is integrated into the initial training phase itself. This leads to large savings in training time compared to traditional pruning pipelines. Through extensive evaluation on multiple datasets (MNIST, CIFAR-10, and Imagenet) and models(VGG-16, Resnets-18/34/56) we show that CUP outperforms recent state of the art. Specifically, CUP-SS achieves 2.2x flops reduction for a Resnet-50 model trained on Imagenet while staying within 0.9% top-5 accuracy. It saves over 14 hours in training time with respect to the original Resnet-50. The code to reproduce results is available.

Adverse drug-drug interactions (DDIs) remain a leading cause of morbidity and mortality. Identifying potential DDIs during the drug design process is critical for patients and society. Although several computational models have been proposed for DDI prediction, there are still limitations: (1) specialized design of drug representation for DDI predictions is lacking; (2) predictions are based on limited labelled data and do not generalize well to unseen drugs or DDIs; and (3) models are characterized by a large number of parameters, thus are hard to interpret. In this work, we develop a ChemicAl SubstrucTurE Representation (CASTER) framework that predicts DDIs given chemical structures of drugs.CASTER aims to mitigate these limitations via (1) a sequential pattern mining module rooted in the DDI mechanism to efficiently characterize functional sub-structures of drugs; (2) an auto-encoding module that leverages both labelled and unlabelled chemical structure data to improve predictive accuracy and generalizability; and (3) a dictionary learning module that explains the prediction via a small set of coefficients which measure the relevance of each input sub-structures to the DDI outcome. We evaluated CASTER on two real-world DDI datasets and showed that it performed better than state-of-the-art baselines and provided interpretable predictions., Comment: Accepted by AAAI 2020

Sleep staging is a crucial task for diagnosing sleep disorders. It is tedious and complex as it can take a trained expert several hours to annotate just one patient's polysomnogram (PSG) from a single night. Although deep learning models have demonstrated state-of-the-art performance in automating sleep staging, interpretability which defines other desiderata, has largely remained unexplored. In this study, we propose Sleep staging via Prototypes from Expert Rules (SLEEPER), which combines deep learning models with expert defined rules using a prototype learning framework to generate simple interpretable models. In particular, SLEEPER utilizes sleep scoring rules and expert defined features to derive prototypes which are embeddings of PSG data fragments via convolutional neural networks. The final models are simple interpretable models like a shallow decision tree defined over those phenotypes. We evaluated SLEEPER using two PSG datasets collected from sleep studies and demonstrated that SLEEPER could provide accurate sleep stage classification comparable to human experts and deep neural networks with about 85% ROC-AUC and .7 kappa., Comment: Machine Learning for Healthcare Conference (MLHC) 2019. Proceedings of Machine Learning Research 106

Gaining more comprehensive knowledge about drug-drug interactions (DDIs) is one of the most important tasks in drug development and medical practice. Recently graph neural networks have achieved great success in this task by modeling drugs as nodes and drug-drug interactions as links and casting DDI predictions as link prediction problems. However, correlations between link labels (e.g., DDI types) were rarely considered in existing works. We propose the graph energy neural network (GENN) to explicitly model link type correlations. We formulate the DDI prediction task as a structure prediction problem and introduce a new energy-based model where the energy function is defined by graph neural networks. Experiments on two real-world DDI datasets demonstrated that GENN is superior to many baselines without consideration of link type correlations and achieved $13.77\%$ and $5.01\%$ PR-AUC improvement on the two datasets, respectively. We also present a case study in which \mname can better capture meaningful DDI correlations compared with baseline models.

Many computational models were proposed to extract temporal patterns from clinical time series for each patient and among patient group for predictive healthcare. However, the common relations among patients (e.g., share the same doctor) were rarely considered. In this paper, we represent patients and clinicians relations by bipartite graphs addressing for example from whom a patient get a diagnosis. We then solve for the top eigenvectors of the graph Laplacian, and include the eigenvectors as latent representations of the similarity between patient-clinician pairs into a time-sensitive prediction model. We conducted experiments using real-world data to predict the initiation of first-line treatment for Chronic Lymphocytic Leukemia (CLL) patients. Results show that relational similarity can improve prediction over multiple baselines, for example a 5% incremental over long-short term memory baseline in terms of area under precision-recall curve., Comment: 5 pages, 3 figures, accepted by ICML 2019 Time Series Workshop

Rare diseases affecting 350 million individuals are commonly associated with delay in diagnosis or misdiagnosis. To improve those patients' outcome, rare disease detection is an important task for identifying patients with rare conditions based on longitudinal medical claims. In this paper, we present a deep learning method for detecting patients with exocrine pancreatic insufficiency (EPI) (a rare disease). The contribution includes 1) a large longitudinal study using 7 years medical claims from 1.8 million patients including 29,149 EPI patients, 2) a new deep learning model using generative adversarial networks (GANs) to boost rare disease class, and also leveraging recurrent neural networks to model patient sequence data, 3) an accurate prediction with 0.56 PR-AUC which outperformed benchmark models in terms of precision and recall., Comment: International Conference on Machine Learning (ICML) 2019 time series workshop accepted paper

Medication recommendation is an important healthcare application. It is commonly formulated as a temporal prediction task. Hence, most existing works only utilize longitudinal electronic health records (EHRs) from a small number of patients with multiple visits ignoring a large number of patients with a single visit (selection bias). Moreover, important hierarchical knowledge such as diagnosis hierarchy is not leveraged in the representation learning process. To address these challenges, we propose G-BERT, a new model to combine the power of Graph Neural Networks (GNNs) and BERT (Bidirectional Encoder Representations from Transformers) for medical code representation and medication recommendation. We use GNNs to represent the internal hierarchical structures of medical codes. Then we integrate the GNN representation into a transformer-based visit encoder and pre-train it on EHR data from patients only with a single visit. The pre-trained visit encoder and representation are then fine-tuned for downstream predictive tasks on longitudinal EHRs from patients with multiple visits. G-BERT is the first to bring the language model pre-training schema into the healthcare domain and it achieved state-of-the-art performance on the medication recommendation task., Comment: IJCAI2019; fix some undefined problems; provide more intuitive figures

Electrocardiography (ECG) signals are commonly used to diagnose various cardiac abnormalities. Recently, deep learning models showed initial success on modeling ECG data, however they are mostly black-box, thus lack interpretability needed for clinical usage. In this work, we propose MultIlevel kNowledge-guided Attention networks (MINA) that predict heart diseases from ECG signals with intuitive explanation aligned with medical knowledge. By extracting multilevel (beat-, rhythm- and frequency-level) domain knowledge features separately, MINA combines the medical knowledge and ECG data via a multilevel attention model, making the learned models highly interpretable. Our experiments showed MINA achieved PR-AUC 0.9436 (outperforming the best baseline by 5.51%) in real world ECG dataset. Finally, MINA also demonstrated robust performance and strong interpretability against signal distortion and noise contamination., Comment: Published in IJCAI 2019

Deep learning models exhibit state-of-the-art performance for many predictive healthcare tasks using electronic health records (EHR) data, but these models typically require training data volume that exceeds the capacity of most healthcare systems. External resources such as medical ontologies are used to bridge the data volume constraint, but this approach is often not directly applicable or useful because of inconsistencies with terminology. To solve the data insufficiency challenge, we leverage the inherent multilevel structure of EHR data and, in particular, the encoded relationships among medical codes. We propose Multilevel Medical Embedding (MiME) which learns the multilevel embedding of EHR data while jointly performing auxiliary prediction tasks that rely on this inherent EHR structure without the need for external labels. We conducted two prediction tasks, heart failure prediction and sequential disease prediction, where MiME outperformed baseline methods in diverse evaluation settings. In particular, MiME consistently outperformed all baselines when predicting heart failure on datasets of different volumes, especially demonstrating the greatest performance improvement (15% relative gain in PR-AUC over the best baseline) on the smallest dataset, demonstrating its ability to effectively model the multilevel structure of EHR data., Comment: Accepted at NIPS 2018

Textual entailment is a fundamental task in natural language processing. It refers to the directional relation between text fragments such that the "premise" can infer "hypothesis". In recent years deep learning methods have achieved great success in this task. Many of them have considered the inter-sentence word-word interactions between the premise-hypothesis pairs, however, few of them considered the "asymmetry" of these interactions. Different from paraphrase identification or sentence similarity evaluation, textual entailment is essentially determining a directional (asymmetric) relation between the premise and the hypothesis. In this paper, we propose a simple but effective way to enhance existing textual entailment algorithms by using asymmetric word embeddings. Experimental results on SciTail and SNLI datasets show that the learned asymmetric word embeddings could significantly improve the word-word interaction based textual entailment models. It is noteworthy that the proposed AWE-DeIsTe model can get 2.1% accuracy improvement over prior state-of-the-art on SciTail.

Deep generative models have achieved remarkable success in various data domains, including images, time series, and natural languages. There remain, however, substantial challenges for combinatorial structures, including graphs. One of the key challenges lies in the difficulty of ensuring semantic validity in context. For examples, in molecular graphs, the number of bonding-electron pairs must not exceed the valence of an atom; whereas in protein interaction networks, two proteins may be connected only when they belong to the same or correlated gene ontology terms. These constraints are not easy to be incorporated into a generative model. In this work, we propose a regularization framework for variational autoencoders as a step toward semantic validity. We focus on the matrix representation of graphs and formulate penalty terms that regularize the output distribution of the decoder to encourage the satisfaction of validity constraints. Experimental results confirm a much higher likelihood of sampling valid graphs in our approach, compared with others reported in the literature., Comment: NIPS 2018

Recent progress in deep learning is revolutionizing the healthcare domain including providing solutions to medication recommendations, especially recommending medication combination for patients with complex health conditions. Existing approaches either do not customize based on patient health history, or ignore existing knowledge on drug-drug interactions (DDI) that might lead to adverse outcomes. To fill this gap, we propose the Graph Augmented Memory Networks (GAMENet), which integrates the drug-drug interactions knowledge graph by a memory module implemented as a graph convolutional networks, and models longitudinal patient records as the query. It is trained end-to-end to provide safe and personalized recommendation of medication combination. We demonstrate the effectiveness and safety of GAMENet by comparing with several state-of-the-art methods on real EHR data. GAMENet outperformed all baselines in all effectiveness measures, and also achieved 3.60% DDI rate reduction from existing EHR data., Comment: AAAI 2019; change the template and fix some typos

In many situations, we need to build and deploy separate models in related environments with different data qualities. For example, an environment with strong observation equipments (e.g., intensive care units) often provides high-quality multi-modal data, which are acquired from multiple sensory devices and have rich-feature representations. On the other hand, an environment with poor observation equipment (e.g., at home) only provides low-quality, uni-modal data with poor-feature representations. To deploy a competitive model in a poor-data environment without requiring direct access to multi-modal data acquired from a rich-data environment, this paper develops and presents a knowledge distillation (KD) method (RDPD) to enhance a predictive model trained on poor data using knowledge distilled from a high-complexity model trained on rich, private data. We evaluated RDPD on three real-world datasets and shown that its distilled model consistently outperformed all baselines across all datasets, especially achieving the greatest performance improvement over a model trained only on low-quality data by 24.56% on PR-AUC and 12.21% on ROC-AUC, and over that of a state-of-the-art KD model by 5.91% on PR-AUC and 4.44% on ROC-AUC., Comment: Published in IJCAI 2019

Drug similarity has been studied to support downstream clinical tasks such as inferring novel properties of drugs (e.g. side effects, indications, interactions) from known properties. The growing availability of new types of drug features brings the opportunity of learning a more comprehensive and accurate drug similarity that represents the full spectrum of underlying drug relations. However, it is challenging to integrate these heterogeneous, noisy, nonlinear-related information to learn accurate similarity measures especially when labels are scarce. Moreover, there is a trade-off between accuracy and interpretability. In this paper, we propose to learn accurate and interpretable similarity measures from multiple types of drug features. In particular, we model the integration using multi-view graph auto-encoders, and add attentive mechanism to determine the weights for each view with respect to corresponding tasks and features for better interpretability. Our model has flexible design for both semi-supervised and unsupervised settings. Experimental results demonstrated significant predictive accuracy improvement. Case studies also showed better model capacity (e.g. embed node features) and interpretability., Comment: IJCAI 2018

The graph convolutional networks (GCN) recently proposed by Kipf and Welling are an effective graph model for semi-supervised learning. This model, however, was originally designed to be learned with the presence of both training and test data. Moreover, the recursive neighborhood expansion across layers poses time and memory challenges for training with large, dense graphs. To relax the requirement of simultaneous availability of test data, we interpret graph convolutions as integral transforms of embedding functions under probability measures. Such an interpretation allows for the use of Monte Carlo approaches to consistently estimate the integrals, which in turn leads to a batched training scheme as we propose in this work---FastGCN. Enhanced with importance sampling, FastGCN not only is efficient for training but also generalizes well for inference. We show a comprehensive set of experiments to demonstrate its effectiveness compared with GCN and related models. In particular, training is orders of magnitude more efficient while predictions remain comparably accurate., Comment: ICLR 2018