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Deep learning plays a more and more important role in our daily life due to its competitive performance in multiple industrial application domains. As the core of DL-enabled systems, deep neural networks automatically learn knowledge from carefully collected and organized training data to gain the ability to predict the label of unseen data. Similar to the traditional software systems that need to be comprehensively tested, DNNs also need to be carefully evaluated to make sure the quality of the trained model meets the demand. In practice, the de facto standard to assess the quality of DNNs in 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 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 13 types of data transformation methods. The results demonstrate the usefulness of our technique that the estimated accuracy by Aries is only 0.03% -- 2.60% (on average 0.61%) off the true accuracy. Besides, Aries also outperforms the state-of-the-art selection-labeling-based methods in most (96 out of 128) cases.

Early action prediction aims to successfully predict the class label of an action before it is completely performed. This is a challenging task because the beginning stages of different actions can be very similar, with only minor subtle differences for discrimination. In this paper, we propose a novel Expert Retrieval and Assembly (ERA) module that retrieves and assembles a set of experts most specialized at using discriminative subtle differences, to distinguish an input sample from other highly similar samples. To encourage our model to effectively use subtle differences for early action prediction, we push experts to discriminate exclusively between samples that are highly similar, forcing these experts to learn to use subtle differences that exist between those samples. Additionally, we design an effective Expert Learning Rate Optimization method that balances the experts' optimization and leads to better performance. We evaluate our ERA module on four public action datasets and achieve state-of-the-art performance.

We introduce a neural implicit framework that exploits the differentiable properties of neural networks and the discrete geometry of point-sampled surfaces to approximate them as the level sets of neural implicit functions. To train a neural implicit function, we propose a loss functional that approximates a signed distance function, and allows terms with high-order derivatives, such as the alignment between the principal directions of curvature, to learn more geometric details. During training, we consider a non-uniform sampling strategy based on the curvatures of the point-sampled surface to prioritize points with more geometric details. This sampling implies faster learning while preserving geometric accuracy when compared with previous approaches. We also present the analytical differential geometry formulas for neural surfaces, such as normal vectors and curvatures.

Vision Transformer (ViT), as a powerful alternative to Convolutional Neural Network (CNN), has received much attention. Recent work showed that ViTs are also vulnerable to adversarial examples like CNNs. To build robust ViTs, an intuitive way is to apply adversarial training since it has been shown as one of the most effective ways to accomplish robust CNNs. However, one major limitation of adversarial training is its heavy computational cost. The self-attention mechanism adopted by ViTs is a computationally intense operation whose expense increases quadratically with the number of input patches, making adversarial training on ViTs even more time-consuming. In this work, we first comprehensively study fast adversarial training on a variety of vision transformers and illustrate the relationship between the efficiency and robustness. Then, to expediate adversarial training on ViTs, we propose an efficient Attention Guided Adversarial Training mechanism. Specifically, relying on the specialty of self-attention, we actively remove certain patch embeddings of each layer with an attention-guided dropping strategy during adversarial training. The slimmed self-attention modules accelerate the adversarial training on ViTs significantly. With only 65\% of the fast adversarial training time, we match the state-of-the-art results on the challenging ImageNet benchmark.

Physics-informed neural networks (PINNs) have shown to be an effective tool for solving forward and inverse problems of partial differential equations (PDEs). PINNs embed the PDEs into the loss of the neural network, and this PDE loss is evaluated at a set of scattered residual points. The distribution of these points are highly important to the performance of PINNs. However, in the existing studies on PINNs, only a few simple residual point sampling methods have mainly been used. Here, we present a comprehensive study of two categories of sampling: non-adaptive uniform sampling and adaptive nonuniform sampling. We consider six uniform sampling, including (1) equispaced uniform grid, (2) uniformly random sampling, (3) Latin hypercube sampling, (4) Halton sequence, (5) Hammersley sequence, and (6) Sobol sequence. We also consider a resampling strategy for uniform sampling. To improve the sampling efficiency and the accuracy of PINNs, we propose two new residual-based adaptive sampling methods: residual-based adaptive distribution (RAD) and residual-based adaptive refinement with distribution (RAR-D), which dynamically improve the distribution of residual points based on the PDE residuals during training. Hence, we have considered a total of 10 different sampling methods, including six non-adaptive uniform sampling, uniform sampling with resampling, two proposed adaptive sampling, and an existing adaptive sampling. We extensively tested the performance of these sampling methods for four forward problems and two inverse problems in many setups. Our numerical results presented in this study are summarized from more than 6000 simulations of PINNs. We show that the proposed adaptive sampling methods of RAD and RAR-D significantly improve the accuracy of PINNs with fewer residual points. The results obtained in this study can also be used as a practical guideline in choosing sampling methods.

While the Vision Transformer (VT) architecture is becoming trendy in computer vision, pure VT models perform poorly on tiny datasets. To address this issue, this paper proposes the locality guidance for improving the performance of VTs on tiny datasets. We first analyze that the local information, which is of great importance for understanding images, is hard to be learned with limited data due to the high flexibility and intrinsic globality of the self-attention mechanism in VTs. To facilitate local information, we realize the locality guidance for VTs by imitating the features of an already trained convolutional neural network (CNN), inspired by the built-in local-to-global hierarchy of CNN. Under our dual-task learning paradigm, the locality guidance provided by a lightweight CNN trained on low-resolution images is adequate to accelerate the convergence and improve the performance of VTs to a large extent. Therefore, our locality guidance approach is very simple and efficient, and can serve as a basic performance enhancement method for VTs on tiny datasets. Extensive experiments demonstrate that our method can significantly improve VTs when training from scratch on tiny datasets and is compatible with different kinds of VTs and datasets. For example, our proposed method can boost the performance of various VTs on tiny datasets (e.g., 13.07% for DeiT, 8.98% for T2T and 7.85% for PVT), and enhance even stronger baseline PVTv2 by 1.86% to 79.30%, showing the potential of VTs on tiny datasets. The code is available at //github.com/lkhl/tiny-transformers.

The dominating NLP paradigm of training a strong neural predictor to perform one task on a specific dataset has led to state-of-the-art performance in a variety of applications (eg. sentiment classification, span-prediction based question answering or machine translation). However, it builds upon the assumption that the data distribution is stationary, ie. that the data is sampled from a fixed distribution both at training and test time. This way of training is inconsistent with how we as humans are able to learn from and operate within a constantly changing stream of information. Moreover, it is ill-adapted to real-world use cases where the data distribution is expected to shift over the course of a model's lifetime. The first goal of this thesis is to characterize the different forms this shift can take in the context of natural language processing, and propose benchmarks and evaluation metrics to measure its effect on current deep learning architectures. We then proceed to take steps to mitigate the effect of distributional shift on NLP models. To this end, we develop methods based on parametric reformulations of the distributionally robust optimization framework. Empirically, we demonstrate that these approaches yield more robust models as demonstrated on a selection of realistic problems. In the third and final part of this thesis, we explore ways of efficiently adapting existing models to new domains or tasks. Our contribution to this topic takes inspiration from information geometry to derive a new gradient update rule which alleviate catastrophic forgetting issues during adaptation.

The time and effort involved in hand-designing deep neural networks is immense. This has prompted the development of Neural Architecture Search (NAS) techniques to automate this design. However, NAS algorithms tend to be slow and expensive; they need to train vast numbers of candidate networks to inform the search process. This could be alleviated if we could partially predict a network's trained accuracy from its initial state. In this work, we examine the overlap of activations between datapoints in untrained networks and motivate how this can give a measure which is usefully indicative of a network's trained performance. We incorporate this measure into a simple algorithm that allows us to search for powerful networks without any training in a matter of seconds on a single GPU, and verify its effectiveness on NAS-Bench-101, NAS-Bench-201, NATS-Bench, and Network Design Spaces. Our approach can be readily combined with more expensive search methods; we examine a simple adaptation of regularised evolutionary search. Code for reproducing our experiments is available at //github.com/BayesWatch/nas-without-training.

The Bayesian paradigm has the potential to solve core issues of deep neural networks such as poor calibration and data inefficiency. Alas, scaling Bayesian inference to large weight spaces often requires restrictive approximations. In this work, we show that it suffices to perform inference over a small subset of model weights in order to obtain accurate predictive posteriors. The other weights are kept as point estimates. This subnetwork inference framework enables us to use expressive, otherwise intractable, posterior approximations over such subsets. In particular, we implement subnetwork linearized Laplace: We first obtain a MAP estimate of all weights and then infer a full-covariance Gaussian posterior over a subnetwork. We propose a subnetwork selection strategy that aims to maximally preserve the model's predictive uncertainty. Empirically, our approach is effective compared to ensembles and less expressive posterior approximations over full networks.

While existing work in robust deep learning has focused on small pixel-level $\ell_p$ norm-based perturbations, this may not account for perturbations encountered in several real world settings. In many such cases although test data might not be available, broad specifications about the types of perturbations (such as an unknown degree of rotation) may be known. We consider a setup where robustness is expected over an unseen test domain that is not i.i.d. but deviates from the training domain. While this deviation may not be exactly known, its broad characterization is specified a priori, in terms of attributes. We propose an adversarial training approach which learns to generate new samples so as to maximize exposure of the classifier to the attributes-space, without having access to the data from the test domain. Our adversarial training solves a min-max optimization problem, with the inner maximization generating adversarial perturbations, and the outer minimization finding model parameters by optimizing the loss on adversarial perturbations generated from the inner maximization. We demonstrate the applicability of our approach on three types of naturally occurring perturbations -- object-related shifts, geometric transformations, and common image corruptions. Our approach enables deep neural networks to be robust against a wide range of naturally occurring perturbations. We demonstrate the usefulness of the proposed approach by showing the robustness gains of deep neural networks trained using our adversarial training on MNIST, CIFAR-10, and a new variant of the CLEVR dataset.