Though black-box predictors are state-of-the-art for many complex tasks, they often fail to properly quantify predictive uncertainty and may provide inappropriate predictions for unfamiliar data. Instead, we can learn more reliable models by letting them either output a prediction set or abstain when the uncertainty is high. We propose training these selective prediction-set models using an uncertainty-aware loss minimization framework, which unifies ideas from decision theory and robust maximum likelihood. Moreover, since black-box methods are not guaranteed to output well-calibrated prediction sets, we show how to calculate point estimates and confidence intervals for the true coverage of any selective prediction-set model, as well as a uniform mixture of K set models obtained from K-fold sample-splitting. When applied to predicting in-hospital mortality and length-of-stay for ICU patients, our model outperforms existing approaches on both in-sample and out-of-sample age groups, and our recalibration method provides accurate inference for prediction set coverage.

Swarm-based optimizers like Particle Swarm Optimization or Imperialistic Competitive Algorithm that act under influences of cooperation or competition among groups, are unable to search in multiple volumes of locality or globality and do not have nested localities. As hybrid optimizers, they may not give satisfactory results as initializers in Gradient Descent approximators used in plenty of multimodal problems like nonlinear subspace learning and neural network training, which have hierarchies of convex spaces due to nonlinearity and multi-layer nature of these models. To search in various levels of scale in a homogenous way, a framework is proposed to equip PSO and ICA a multi-scale search capability. Then, the resulted optimizers are evaluated in single and GD-hybridized mode. Hybrid evaluation as GD randomizer is implemented with the help of a nonlinear subspace filtering objective function over EEG data and optimization loss and validation data accuracy is compared with other hybrids containing GD. A single evaluation is also taken place between the proposed ones, PSO, ICA, CLPSO, and CICA, which are used more in hybrid learning-based approaches. Evaluations were with respect to solution error. Before concluding the paper, it is shown and analyzed that proposed optimizers outperform algorithms of related context both in single and hybrid-GD mode.

Fuzzing has played an important role in improving software development and testing over the course of several decades. Recent research in fuzzing has focused on applications of machine learning (ML), offering useful tools to overcome challenges in the fuzzing process. This review surveys the current research in applying ML to fuzzing. Specifically, this review discusses successful applications of ML to fuzzing, briefly explores challenges encountered, and motivates future research to address fuzzing bottlenecks.

The recent application of Deep Learning in various areas of medical image analysis has brought excellent performance gain. The application of deep learning technologies in medical image registration successfully outperformed traditional optimization based registration algorithms both in registration time and accuracy. In this paper, we present a densely connected convolutional architecture for deformable image registration. The training of the network is unsupervised and does not require ground-truth deformation or any synthetic deformation as a label. The proposed architecture is trained and tested on two different version of tissue cleared data, 10\% and 25\% resolution of high resolution dataset respectively and demonstrated comparable registration performance with the state-of-the-art ANTS registration method. The proposed method is also compared with the deep-learning based Voxelmorph registration method. Due to the memory limitation, original voxelmorph can work at most 15\% resolution of Tissue cleared data. For rigorous experimental comparison we developed a patch-based version of Voxelmorph network, and trained it on 10\% and 25\% resolution. In both resolution, proposed DenseDeformation network outperformed Voxelmorph in registration accuracy.

In this study, we consider an empirical Bayes method for Boltzmann machines and propose an algorithm for it. The empirical Bayes method allows estimation of the values of the hyperparameters of the Boltzmann machine by maximizing a specific likelihood function referred to as the empirical Bayes likelihood function in this study. However, the maximization is computationally hard because the empirical Bayes likelihood function involves intractable integrations of the partition function. The proposed algorithm avoids this computational problem by using the replica method and the Plefka expansion. Our method does not require any iterative procedures and is quite simple and fast, though it introduces a bias to the estimate, which exhibits an unnatural behavior with respect to the size of the dataset. This peculiar behavior is supposed to be due to the approximate treatment by the Plefka expansion. A possible extension to overcome this behavior is also discussed.

In this paper, a neural architecture search (NAS) framework is proposed for 3D medical image segmentation, to automatically optimize a neural architecture from a large design space. Our NAS framework searches the structure of each layer including neural connectivities and operation types in both of the encoder and decoder. Since optimizing over a large discrete architecture space is difficult due to high-resolution 3D medical images, a novel stochastic sampling algorithm based on a continuous relaxation is also proposed for scalable gradient based optimization. On the 3D medical image segmentation tasks with a benchmark dataset, an automatically designed architecture by the proposed NAS framework outperforms the human-designed 3D U-Net, and moreover this optimized architecture is well suited to be transferred for different tasks.

We consider differentiable games: multi-objective minimization problems, where the goal is to find a Nash equilibrium. The machine learning community has recently started using extrapolation-based variants of the gradient method. A prime example is the extragradient, which yields linear convergence in cases like bilinear games, where the standard gradient method fails. The full benefits of extrapolation-based methods are not known: i) there is no unified analysis for a large class of games that includes both strongly monotone and bilinear games; ii) it is not known whether the rate achieved by extragradient can be improved, e.g. by considering multiple extrapolation steps. We answer these questions through new analysis of the extragradient's local and global convergence properties. Our analysis covers the whole range of settings between purely bilinear and strongly monotone games. It reveals that extragradient converges via different mechanisms at these extremes; in between, it exploits the most favorable mechanism for the given problem. We then present lower bounds on the rate of convergence for a wide class of algorithms with any number of extrapolations. Our bounds prove that the extragradient achieves the optimal rate in this class, and that our upper bounds are tight. Our precise characterization of the extragradient's convergence behavior in games shows that, unlike in convex optimization, the extragradient method may be much faster than the gradient method.

While likelihood-based inference and its variants provide a statistically efficient and widely applicable approach to parametric inference, their application to models involving intractable likelihoods poses challenges. In this work, we study a class of minimum distance estimators for intractable generative models, that is, statistical models for which the likelihood is intractable, but simulation is cheap. The distance considered, maximum mean discrepancy (MMD), is defined through the embedding of probability measures into a reproducing kernel Hilbert space. We study the theoretical properties of these estimators, showing that they are consistent, asymptotically normal and robust to model misspecification. A main advantage of these estimators is the flexibility offered by the choice of kernel, which can be used to trade-off statistical efficiency and robustness. On the algorithmic side, we study the geometry induced by MMD on the parameter space and use this to introduce a novel natural gradient descent-like algorithm for efficient implementation of these estimators. We illustrate the relevance of our theoretical results on several classes of models including a discrete-time latent Markov process and two multivariate stochastic differential equation models.

Learning node embeddings that capture a node's position within the broader graph structure is crucial for many prediction tasks on graphs. However, existing Graph Neural Network (GNN) architectures have limited power in capturing the position/location of a given node with respect to all other nodes of the graph. Here we propose Position-aware Graph Neural Networks (P-GNNs), a new class of GNNs for computing position-aware node embeddings. P-GNN first samples sets of anchor nodes, computes the distance of a given target node to each anchor-set,and then learns a non-linear distance-weighted aggregation scheme over the anchor-sets. This way P-GNNs can capture positions/locations of nodes with respect to the anchor nodes. P-GNNs have several advantages: they are inductive, scalable,and can incorporate node feature information. We apply P-GNNs to multiple prediction tasks including link prediction and community detection. We show that P-GNNs consistently outperform state of the art GNNs, with up to 66% improvement in terms of the ROC AUC score.

Image compression is an essential approach for decreasing the size in bytes of the image without deteriorating the quality of it. Typically, classic algorithms are used but recently deep-learning has been successfully applied. In this work, is presented a deep super-resolution work-flow for image compression that maps low-resolution JPEG image to the high-resolution. The pipeline consists of two components: first, an encoder-decoder neural network learns how to transform the downsampling JPEG images to high resolution. Second, a combination between Generative Adversarial Networks (GANs) and reinforcement learning Actor-Critic (A3C) loss pushes the encoder-decoder to indirectly maximize High Peak Signal-to-Noise Ratio (PSNR). Although PSNR is a fully differentiable metric, this work opens the doors to new solutions for maximizing non-differential metrics through an end-to-end approach between encoder-decoder networks and reinforcement learning policy gradient methods.