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Deep learning (DL) plays a more and more important role in our daily life due to its competitive performance in industrial application domains. As the core of DL-enabled systems, deep neural networks (DNNs) need to be carefully evaluated to ensure the produced models match the expected requirements. In practice, the \emph{de facto standard} to assess the quality of DNNs in the industry is to check their performance (accuracy) on a collected set of labeled test data. However, preparing such labeled data is often not easy partly because of the huge labeling effort, i.e., data labeling is labor-intensive, especially with the massive new incoming unlabeled data every day. Recent studies show that test selection for DNN is a promising direction that tackles this issue by selecting minimal representative data to label and using these data to assess the model. However, it still requires human effort and cannot be automatic. In this paper, we propose a novel technique, named \textit{Aries}, that can estimate the performance of DNNs on new unlabeled data using only the information obtained from the original test data. The key insight behind our technique is that the model should have similar prediction accuracy on the data which have similar distances to the decision boundary. We performed a large-scale evaluation of our technique on two famous datasets, CIFAR-10 and Tiny-ImageNet, four widely studied DNN models including ResNet101 and DenseNet121, and 13 types of data transformation methods. Results show that the estimated accuracy by \textit{Aries} is only 0.03\% -- 2.60\% off the true accuracy. Besides, \textit{Aries} also outperforms the state-of-the-art labeling-free methods in 50 out of 52 cases and selection-labeling-based methods in 96 out of 128 cases.

Machine learning models are vulnerable to adversarial perturbations, and a thought-provoking paper by Bubeck and Sellke has analyzed this phenomenon through the lens of over-parameterization: interpolating smoothly the data requires significantly more parameters than simply memorizing it. However, this "universal" law provides only a necessary condition for robustness, and it is unable to discriminate between models. In this paper, we address these gaps by focusing on empirical risk minimization in two prototypical settings, namely, random features and the neural tangent kernel (NTK). We prove that, for random features, the model is not robust for any degree of over-parameterization, even when the necessary condition coming from the universal law of robustness is satisfied. In contrast, for even activations, the NTK model meets the universal lower bound, and it is robust as soon as the necessary condition on over-parameterization is fulfilled. This also addresses a conjecture in prior work by Bubeck, Li and Nagaraj. Our analysis decouples the effect of the kernel of the model from an "interaction matrix", which describes the interaction with the test data and captures the effect of the activation. Our theoretical results are corroborated by numerical evidence on both synthetic and standard datasets (MNIST, CIFAR-10).

Masked Image Modeling (MIM) has been a prevailing framework for self-supervised visual representation learning. Within the pretraining-finetuning paradigm, the MIM framework trains an encoder by reconstructing masked image patches with the help of a decoder which would be abandoned when the encoder is used for finetuning. Despite its state-of-the-art performance on clean images, MIM models are vulnerable to adversarial attacks, limiting its real-world application, and few studies have focused on this issue. In this paper, we have discovered that noisy image modeling (NIM), a variant of MIM that uses denoising as the pre-text task, provides not only good pretrained visual features, but also effective adversarial defense for downstream models. To achieve a better accuracy-robustness trade-off, we further propose to sample the hyperparameter that controls the reconstruction difficulty from random distributions instead of setting it globally, and fine-tune downstream networks with denoised images. Experimental results demonstrate that our pre-trained denoising autoencoders are effective against different white-box, gray-box, and black-box attacks without being trained with adversarial images, while not harming the clean accuracy of fine-tuned models. Source code and models will be made available.

Many real-world systems can be described by mathematical formulas that are human-comprehensible, easy to analyze and can be helpful in explaining the system's behaviour. Symbolic regression is a method that generates nonlinear models from data in the form of analytic expressions. Historically, symbolic regression has been predominantly realized using genetic programming, a method that iteratively evolves a population of candidate solutions that are sampled by genetic operators crossover and mutation. This gradient-free evolutionary approach suffers from several deficiencies: it does not scale well with the number of variables and samples in the training data, models tend to grow in size and complexity without an adequate accuracy gain, and it is hard to fine-tune the inner model coefficients using just genetic operators. Recently, neural networks have been applied to learn the whole analytic formula, i.e., its structure as well as the coefficients, by means of gradient-based optimization algorithms. We propose a novel neural network-based symbolic regression method that constructs physically plausible models based on limited training data and prior knowledge about the system. The method employs an adaptive weighting scheme to effectively deal with multiple loss function terms and an epoch-wise learning process to reduce the chance of getting stuck in poor local optima. Furthermore, we propose a parameter-free method for choosing the model with the best interpolation and extrapolation performance out of all models generated through the whole learning process. We experimentally evaluate the approach on the TurtleBot 2 mobile robot, the magnetic manipulation system, the equivalent resistance of two resistors in parallel, and the anti-lock braking system. The results clearly show the potential of the method to find sparse and accurate models that comply with the prior knowledge provided.

We study the compression of spatial and temporal features in fluid flow data using multimedia compression techniques. The efficacy of spatial compression techniques, including JPEG and JPEG2000 (JP2), and spatio-temporal video compression techniques, namely H.264, H.265, and AV1, in limiting the introduction of compression artifacts and preserving underlying flow physics are considered for laminar periodic wake around a cylinder, two-dimensional turbulence, and turbulent channel flow. These compression techniques significantly compress flow data while maintaining dominant flow features with negligible error. AV1 and H.265 compressions present the best performance across a variety of canonical flow regimes and outperform traditional techniques such as proper orthogonal decomposition in some cases. These image and video compression algorithms are flexible, scalable, and generalizable holding potential for a wide range of applications in fluid dynamics in the context of data storage and transfer.

The Lov\'{a}sz Local Lemma (LLL) is a keystone principle in probability theory, guaranteeing the existence of configurations which avoid a collection $\mathcal B$ of "bad" events which are mostly independent and have low probability. In its simplest "symmetric" form, it asserts that whenever a bad-event has probability $p$ and affects at most $d$ bad-events, and $e p d < 1$, then a configuration avoiding all $\mathcal B$ exists. A seminal algorithm of Moser & Tardos (2010) gives nearly-automatic randomized algorithms for most constructions based on the LLL. However, deterministic algorithms have lagged behind. We address three specific shortcomings of the prior deterministic algorithms. First, our algorithm applies to the LLL criterion of Shearer (1985); this is more powerful than alternate LLL criteria and also removes a number of nuisance parameters and leads to cleaner and more legible bounds. Second, we provide parallel algorithms with much greater flexibility in the functional form of of the bad-events. Third, we provide a derandomized version of the MT-distribution, that is, the distribution of the variables at the termination of the MT algorithm. We show applications to non-repetitive vertex coloring, independent transversals, strong coloring, and other problems. These give deterministic algorithms which essentially match the best previous randomized sequential and parallel algorithms.

The Quantum Convolutional Neural Network (QCNN) is a quantum circuit model inspired by the architecture of Convolutional Neural Networks (CNNs). CNNs are successful because they do not need manual feature design and can learn high-level features from raw data. Neural Architecture Search (NAS) builds on this success by learning network architecture and achieves state-of-the-art performance. However, NAS requires the design of a search space, which is currently not possible for QCNNs as no formal framework exists to capture its design elements. In this work, we provide such a framework by using techniques from NAS to create a hierarchical representation for QCNN architectures. Using this framework, we generate a family of popular QCNNs, those resembling reverse binary trees. We then evaluate this family of models on a music genre classification dataset, GTZAN, showing that alternating architecture has a greater impact on model performance than other modelling components, such as the choice of unitary ansatz and data encoding. Our framework provides a way to improve model performance without increasing complexity and to jump around the cost landscape to avoid barren plateaus. Finally, we implement the framework as an open-source Python package to enable dynamic QCNN creation and facilitate QCNN search space design for NAS.

This manuscript considers the problem of learning a random Gaussian network function using a fully connected network with frozen intermediate layers and trainable readout layer. This problem can be seen as a natural generalization of the widely studied random features model to deeper architectures. First, we prove Gaussian universality of the test error in a ridge regression setting where the learner and target networks share the same intermediate layers, and provide a sharp asymptotic formula for it. Establishing this result requires proving a deterministic equivalent for traces of the deep random features sample covariance matrices which can be of independent interest. Second, we conjecture the asymptotic Gaussian universality of the test error in the more general setting of arbitrary convex losses and generic learner/target architectures. We provide extensive numerical evidence for this conjecture, which requires the derivation of closed-form expressions for the layer-wise post-activation population covariances. In light of our results, we investigate the interplay between architecture design and implicit regularization.

Deep neural network architectures have traditionally been designed and explored with human expertise in a long-lasting trial-and-error process. This process requires huge amount of time, expertise, and resources. To address this tedious problem, we propose a novel algorithm to optimally find hyperparameters of a deep network architecture automatically. We specifically focus on designing neural architectures for medical image segmentation task. Our proposed method is based on a policy gradient reinforcement learning for which the reward function is assigned a segmentation evaluation utility (i.e., dice index). We show the efficacy of the proposed method with its low computational cost in comparison with the state-of-the-art medical image segmentation networks. We also present a new architecture design, a densely connected encoder-decoder CNN, as a strong baseline architecture to apply the proposed hyperparameter search algorithm. We apply the proposed algorithm to each layer of the baseline architectures. As an application, we train the proposed system on cine cardiac MR images from Automated Cardiac Diagnosis Challenge (ACDC) MICCAI 2017. Starting from a baseline segmentation architecture, the resulting network architecture obtains the state-of-the-art results in accuracy without performing any trial-and-error based architecture design approaches or close supervision of the hyperparameters changes.