Although data may be abundant, complete data is less so, due to missing columns or rows. This missingness undermines the performance of downstream data products that either omit incomplete cases or create derived completed data for subsequent processing. Appropriately managing missing data is required in order to fully exploit and correctly use data. We propose a Multiple Imputation model using Denoising Autoencoders to learn the internal representation of data. Furthermore, we use the novel mechanisms of Metamorphic Truth and Imputation Feedback to maintain statistical integrity of attributes and eliminate bias in the learning process. Our approach explores the effects of imputation on various missingness mechanisms and patterns of missing data, outperforming other methods in many standard test cases.

We introduce a new regularization method for Artificial Neural Networks (ANNs) based on Kernel Flows (KFs). The proposed method simply consists in aggregating (as a weighted sum) a subset of these KF losses with a classical output loss (e.g. We test the proposed method on Convolutional Neural Networks (CNNs) and Wide Residual Networks (WRNs) without alteration of their structure nor their output classifier and report reduced test errors, decreased generalization gaps, and increased robustness to distribution shift without significant increase in computational complexity relative to standard CNN and WRN training (with Drop Out and Batch Normalization). We suspect that these results might be explained by the fact that while conventional training only employs a linear functional (a generalized moment) of the empirical distribution defined by the dataset and can be prone to trapping in the Neural Tangent Kernel regime (under over-parameterizations), the proposed loss function (defined as a nonlinear functional of the empirical distribution) effectively trains the underlying kernel defined by the CNN beyond regressing the data with that kernel. Kernel Flows were introduced in [8] as a method for kernel selection/design in Kriging/Gaussian Process Regression (GPR). Any non-degenerate kernel Kpx, x 1 q can be used to approximate u: with the interpolant upxq " Kpx, XqKpX, Xq 1 Y, (1.1) writing Y:" py 1,..., y N q T, X:" px 1,..., x N q, KpX, Xq for the N ˆ N Gram matrix Kpx i, x i q and Kpx, Xq for the N dimensional vector with entries Kpx, x i q.

Today's proliferation of powerful facial recognition models poses a real threat to personal privacy. As Clearview.ai demonstrated, anyone can canvas the Internet for data, and train highly accurate facial recognition models of us without our knowledge. We need tools to protect ourselves from unauthorized facial recognition systems and their numerous potential misuses. Unfortunately, work in related areas are limited in practicality and effectiveness. In this paper, we propose Fawkes, a system that allow individuals to inoculate themselves against unauthorized facial recognition models. Fawkes achieves this by helping users adding imperceptible pixel-level changes (we call them "cloaks") to their own photos before publishing them online. When collected by a third-party "tracker" and used to train facial recognition models, these "cloaked" images produce functional models that consistently misidentify the user. We experimentally prove that Fawkes provides 95+% protection against user recognition regardless of how trackers train their models. Even when clean, uncloaked images are "leaked" to the tracker and used for training, Fawkes can still maintain a 80+% protection success rate. In fact, we perform real experiments against today's state-of-the-art facial recognition services and achieve 100% success. Finally, we show that Fawkes is robust against a variety of countermeasures that try to detect or disrupt cloaks.

We propose a novel approach for comparing distributions whose supports do not necessarily lie on the same metric space. Unlike Gromov-Wasserstein (GW) distance that compares pairwise distance of elements from each distribution, we consider a method that embeds the metric measure spaces in a common Euclidean space and computes an optimal transport (OT) on the embedded distributions. This leads to what we call a sub-embedding robust Wasserstein(SERW). Under some conditions, SERW is a distance that considers an OT distance of the (low-distorted) embedded distributions using a common metric. In addition to this novel proposal that generalizes several recent OT works, our contributions stand on several theoretical analyses: i) we characterize the embedding spaces to define SERW distance for distribution alignment; ii) we prove that SERW mimics almost the same properties of GW distance, and we give a cost relation between GW and SERW. The paper also provides some numerical experiments illustrating how SERW behaves on matching problems in real-world.

Networks with large receptive field (RF) have shown advanced fitting ability in recent years. In this work, we utilize the short-term residual learning method to improve the performance and robustness of networks for image denoising tasks. Here, we choose a multi-wavelet convolutional neural network (MWCNN), one of the state-of-art networks with large RF, as the backbone, and insert residual dense blocks (RDBs) in its each layer. We call this scheme multi-wavelet residual dense convolutional neural network (MWRDCNN). Compared with other RDB-based networks, it can extract more features of the object from adjacent layers, preserve the large RF, and boost the computing efficiency. Meanwhile, this approach also provides a possibility of absorbing advantages of multiple architectures in a single network without conflicts. The performance of the proposed method has been demonstrated in extensive experiments with a comparison with existing techniques.

Machine Learning (ML) and Deep Learning (DL) innovations are being introduced at such a rapid pace that researchers are hard-pressed to analyze and study them. The complicated procedures for evaluating innovations, along with the lack of standard and efficient ways of specifying and provisioning ML/DL evaluation, is a major "pain point" for the community. This paper proposes MLModelScope, an open-source, framework/hardware agnostic, extensible and customizable design that enables repeatable, fair, and scalable model evaluation and benchmarking. We implement the distributed design with support for all major frameworks and hardware, and equip it with web, command-line, and library interfaces. To demonstrate MLModelScope's capabilities we perform parallel evaluation and show how subtle changes to model evaluation pipeline affects the accuracy and HW/SW stack choices affect performance.

Optimal Transport (OT) framework allows defining similarity between probability distributions and provides metrics such as the Wasserstein and Gromov-Wasserstein discrepancies. Classical OT problem seeks a transportation map that preserves the total mass, requiring the mass of the source and target distributions to be the same. This may be too restrictive in certain applications such as color or shape matching, since the distributions may have arbitrary masses or that only a fraction of the total mass has to be transported. Several algorithms have been devised for computing unbalanced Wasserstein metrics but when it comes with the Gromov-Wasserstein problem, no partial formulation is available yet. This precludes from working with distributions that do not lie in the same metric space or when invariance to rotation or translation is needed. In this paper, we address the partial Gromov-Wasserstein problem and propose an algorithm to solve it. We showcase the new formulation in a positive-unlabeled (PU) learning application. To the best of our knowledge, this is the first application of optimal transport in this context and we first highlight that partial Wasserstein-based metrics prove effective in usual PU learning settings. We then demonstrate that partial Gromov-Wasserstein metrics is efficient in scenario where point clouds come from different domains or have different features.

Graph neural networks aggregate features in vertex neighborhoods to learn vector representations of all vertices, using supervision from some labeled vertices during training. The predictor is then a function of the vector representation, and predictions are made independently on unlabeled nodes. This widely-adopted approach implicitly assumes that vertex labels are independent after conditioning on their neighborhoods. We show that this strong assumption is far from true on many real-world graph datasets and severely limits predictive power on a number of regression tasks. Given that traditional graph-based semi-supervised learning methods operate in the opposite manner by explicitly modeling the correlation in predicted outcomes, this limitation may not be all that surprising. Here, we address this issue with a simple and interpretable framework that can improve any graph neural network architecture by modeling correlation structure in regression outcome residuals. Specifically, we model the joint distribution of outcome residuals on vertices with a parameterized multivariate Gaussian, where the parameters are estimated by maximizing the marginal likelihood of the observed labels. Our model achieves substantially boosts the performance of graph neural networks, and the learned parameters can also be interpreted as the strength of correlation among connected vertices. To allow us to scale to large networks, we design linear time algorithms for low-variance, unbiased model parameter estimates based on stochastic trace estimation. We also provide a simplified version of our method that makes stronger assumptions on correlation structure but is extremely easy to implement and provides great practical performance in several cases.

Designing a single neural network architecture that performs competitively across a range of molecule property prediction tasks remains largely an open challenge, and its solution may unlock a widespread use of deep learning in the drug discovery industry. To move towards this goal, we propose Molecule Attention Transformer (MAT). Our key innovation is to augment the attention mechanism in Transformer using inter-atomic distances and the molecular graph structure. Experiments show that MAT performs competitively on a diverse set of molecular prediction tasks. Most importantly, with a simple self-supervised pretraining, MAT requires tuning of only a few hyperparameter values to achieve state-of-the-art performance on downstream tasks. Finally, we show that attention weights learned by MAT are interpretable from the chemical point of view.

Domain adaptation algorithms are designed to minimize the misclassification risk of a discriminative model for a target domain with little training data by adapting a model from a source domain with a large amount of training data. Standard approaches measure the adaptation discrepancy based on distance measures between the empirical probability distributions in the source and target domain. In this setting, we address the problem of deriving learning bounds under practice-oriented general conditions on the underlying probability distributions. As a result, we obtain learning bounds for domain adaptation based on finitely many moments and smoothness conditions.