Interpretability allows the domain-expert to directly evaluate the model's relevance and reliability, a practice that offers assurance and builds trust. In the healthcare setting, interpretable models should implicate relevant biological mechanisms independent of technical factors like data pre-processing. We define personalized interpretability as a measure of sample-specific feature attribution, and view it as a minimum requirement for a precision health model to justify its conclusions. Some health data, especially those generated by high-throughput sequencing experiments, have nuances that compromise precision health models and their interpretation. These data are compositional, meaning that each feature is conditionally dependent on all other features. We propose the Deep Compositional Data Analysis (DeepCoDA) framework to extend precision health modelling to high-dimensional compositional data, and to provide personalized interpretability through patient-specific weights. Our architecture maintains state-of-the-art performance across 25 real-world data sets, all while producing interpretations that are both personalized and fully coherent for compositional data.

We present Wasserstein Embedding for Graph Learning (WEGL), a novel and fast framework for embedding entire graphs in a vector space, in which various machine learning models are applicable for graph-level prediction tasks. We leverage new insights on defining similarity between graphs as a function of the similarity between their node embedding distributions. Specifically, we use the Wasserstein distance to measure the dissimilarity between node embeddings of different graphs. Different from prior work, we avoid pairwise calculation of distances between graphs and reduce the computational complexity from quadratic to linear in the number of graphs. WEGL calculates Monge maps from a reference distribution to each node embedding and, based on these maps, creates a fixed-sized vector representation of the graph. We evaluate our new graph embedding approach on various benchmark graph-property prediction tasks, showing state-of-the-art classification performance, while having superior computational efficiency.

Various existing approaches to formalize machine learning (ML) problem are discussed. The concept of Intelligent Learning (IL) as a context of ML is introduced. IL is described following traditions of Hegel's logic. A general formalization of classification as Optimal Class Separation problem is proposed. The formalization includes two criteria, direct and proximity loss, introduced here. It is demonstrated that $k$-NN, Naive Bayes, decision trees, linear SVM solve Optimal Class Separation problem.

Building machine learning models from decentralized datasets located in different centers with federated learning (FL) is a promising approach to circumvent local data scarcity while preserving privacy. However, the prominent Cox proportional hazards (PH) model, used for survival analysis, does not fit the FL framework, as its loss function is non-separable with respect to the samples. The na\"ive method to bypass this non-separability consists in calculating the losses per center, and minimizing their sum as an approximation of the true loss. We show that the resulting model may suffer from important performance loss in some adverse settings. Instead, we leverage the discrete-time extension of the Cox PH model to formulate survival analysis as a classification problem with a separable loss function. Using this approach, we train survival models using standard FL techniques on synthetic data, as well as real-world datasets from The Cancer Genome Atlas (TCGA), showing similar performance to a Cox PH model trained on aggregated data. Compared to previous works, the proposed method is more communication-efficient, more generic, and more amenable to using privacy-preserving techniques.

For the more than 300 million surgeries performed worldwide every year, managing post-surgical pain is critical for successful surgical outcomes. Pain is the most prominent post-surgical concern, with an estimated 86% of surgical patients in the United States experiencing pain after surgery, with 75% of these patients reporting at least moderate to extreme pain [1]. Higher postoperative pain is associated with more postoperative complications [2], indicating the importance of pain management. Furthermore, the use of opioid analgesics is a powerful tool for managing pain but can pose risks of adverse drug events (experienced by 10% of surgical patients), leading to prolonged length of stay, high hospitalization costs, and potentially addiction [3]. Thus, regular and careful pain assessment is important for balancing between pain relief and potential side effects of powerful opioid analgesics [4]. However, one of the challenges of pain management is accurately assessing the pain level of patients. Pain is inherently subjective, and the personal experience of pain is difficult to observe and measure objectively by those not experiencing it [5] (e.g., care providers). The standard practice used in clinical care requires patients to self-report their pain intensity level using a numeric or visual scale, such as the popular Numerical Pain Rating Scale [6].

In this paper, we consider large-scale finite-sum nonconvex problems arising from machine learning. Since the Hessian is often a summation of a relative cheap and accessible part and an expensive or even inaccessible part, a stochastic quasi-Newton matrix is constructed using partial Hessian information as much as possible. By further exploiting the low-rank structures based on the Nystr\"om approximation, the computation of the quasi-Newton direction is affordable. To make full use of the gradient estimation, we also develop an extra-step strategy for this framework. Global convergence to stationary point in expectation and local suplinear convergence rate are established under some mild assumptions. Numerical experiments on logistic regression, deep autoencoder networks and deep learning problems show that the efficiency of our proposed method is at least comparable with the state-of-the-art methods.

Functional connectivity (FC) has become a primary means of understanding brain functions by identifying brain network interactions and, ultimately, how those interactions produce cognitions. A popular definition of FC is by statistical associations between measured brain regions. However, this could be problematic since the associations can only provide spatial connections but not causal interactions among regions of interests. Hence, it is necessary to study their causal relationship. Directed acyclic graph (DAG) models have been applied in recent FC studies but often encountered problems such as limited sample sizes and large number of variables (namely high-dimensional problems), which lead to both computational difficulty and convergence issues. As a result, the use of DAG models is problematic, where the identification of DAG models in general is nondeterministic polynomial time hard (NP-hard). To this end, we propose a $\psi$-learning incorporated linear non-Gaussian acyclic model ($\psi$-LiNGAM). We use the association model ($\psi$-learning) to facilitate causal inferences and the model works well especially for high-dimensional cases. Our simulation results demonstrate that the proposed method is more robust and accurate than several existing ones in detecting graph structure and direction. We then applied it to the resting state fMRI (rsfMRI) data obtained from the publicly available Philadelphia Neurodevelopmental Cohort (PNC) to study the cognitive variance, which includes 855 individuals aged 8-22 years. Therein, we have identified three types of hub structure: the in-hub, out-hub and sum-hub, which correspond to the centers of receiving, sending and relaying information, respectively. We also detected 16 most important pairs of causal flows. Several of the results have been verified to be biologically significant.

There is a wide variety of data mining methods available, and it is generally useful in exploratory data analysis to use many different methods for the same dataset. This, however, leads to the problem of whether the results found by one method are a reflection of the phenomenon shown by the results of another method, or whether the results depict in some sense unrelated properties of the data. For example, using clustering can give indication of a clear cluster structure, and computing correlations between variables can show that there are many significant correlations in the data. However, it can be the case that the correlations are actually determined by the cluster structure. In this paper, we consider the problem of randomizing data so that previously discovered patterns or models are taken into account. The randomization methods can be used in iterative data mining. At each step in the data mining process, the randomization produces random samples from the set of data matrices satisfying the already discovered patterns or models. That is, given a data set and some statistics (e.g., cluster centers or co-occurrence counts) of the data, the randomization methods sample data sets having similar values of the given statistics as the original data set. We use Metropolis sampling based on local swaps to achieve this. We describe experiments on real data that demonstrate the usefulness of our approach. Our results indicate that in many cases, the results of, e.g., clustering actually imply the results of, say, frequent pattern discovery.

The increased demand for online prediction and the growing availability of large data sets drives the need for computationally efficient models. While exact Gaussian process regression shows various favorable theoretical properties (uncertainty estimate, unlimited expressive power), the poor scaling with respect to the training set size prohibits its application in big data regimes in real-time. Therefore, this paper proposes dividing local Gaussian processes, which are a novel, computationally efficient modeling approach based on Gaussian process regression. Due to an iterative, data-driven division of the input space, they achieve a sublinear computational complexity in the total number of training points in practice, while providing excellent predictive distributions. A numerical evaluation on real-world data sets shows their advantages over other state-of-the-art methods in terms of accuracy as well as prediction and update speed.

Learning effective contextual-bandit policies from past actions of a deployed system is highly desirable in many settings (e.g. voice assistants, recommendation, search), since it enables the reuse of large amounts of log data. State-of-the-art methods for such off-policy learning, however, are based on inverse propensity score (IPS) weighting. A key theoretical requirement of IPS weighting is that the policy that logged the data has "full support", which typically translates into requiring non-zero probability for any action in any context. Unfortunately, many real-world systems produce support deficient data, especially when the action space is large, and we show how existing methods can fail catastrophically. To overcome this gap between theory and applications, we identify three approaches that provide various guarantees for IPS-based learning despite the inherent limitations of support-deficient data: restricting the action space, reward extrapolation, and restricting the policy space. We systematically analyze the statistical and computational properties of these three approaches, and we empirically evaluate their effectiveness. In addition to providing the first systematic analysis of support-deficiency in contextual-bandit learning, we conclude with recommendations that provide practical guidance.