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Numerous approaches have attempted to interpret deep neural networks (DNNs) by attributing the prediction of DNN to its input features. One of the well-studied attribution methods is Integrated Gradients (IG). Specifically, the choice of baselines for IG is a critical consideration for generating meaningful and unbiased explanations for model predictions in different scenarios. However, current practice of exploiting a single baseline fails to fulfill this ambition, thus demanding multiple baselines. Fortunately, the inherent connection between IG and Aumann-Shapley Value forms a unique perspective to rethink the design of baselines. Under certain hypothesis, we theoretically analyse that a set of baseline aligns with the coalitions in Shapley Value. Thus, we propose a novel baseline construction method called Shapley Integrated Gradients (SIG) that searches for a set of baselines by proportional sampling to partly simulate the computation path of Shapley Value. Simulations on GridWorld show that SIG approximates the proportion of Shapley Values. Furthermore, experiments conducted on various image tasks demonstrate that compared to IG using other baseline methods, SIG exhibits an improved estimation of feature's contribution, offers more consistent explanations across diverse applications, and is generic to distinct data types or instances with insignificant computational overhead.

Neural collapse provides an elegant mathematical characterization of learned last layer representations (a.k.a. features) and classifier weights in deep classification models. Such results not only provide insights but also motivate new techniques for improving practical deep models. However, most of the existing empirical and theoretical studies in neural collapse focus on the case that the number of classes is small relative to the dimension of the feature space. This paper extends neural collapse to cases where the number of classes are much larger than the dimension of feature space, which broadly occur for language models, retrieval systems, and face recognition applications. We show that the features and classifier exhibit a generalized neural collapse phenomenon, where the minimum one-vs-rest margins is maximized.We provide empirical study to verify the occurrence of generalized neural collapse in practical deep neural networks. Moreover, we provide theoretical study to show that the generalized neural collapse provably occurs under unconstrained feature model with spherical constraint, under certain technical conditions on feature dimension and number of classes.

Discrete particle simulations have become the standard in science and industrial applications exploring the properties of particulate systems. Most of such simulations rely on the concept of interacting spherical particles to describe the properties of particulates, although, the correct representation of the nonspherical particle shape is crucial for a number of applications. In this work we describe the implementation of clumps, i.e. assemblies of rigidly connected spherical particles, which can approximate given nonspherical shapes, within the \textit{MercuryDPM} particle dynamics code. \textit{MercuryDPM} contact detection algorithm is particularly efficient for polydisperse particle systems, which is essential for multilevel clumps approximating complex surfaces. We employ the existing open-source \texttt{CLUMP} library to generate clump particles. We detail the pre-processing tools providing necessary initial data, as well as the necessary adjustments of the algorithms of contact detection, collision/migration and numerical time integration. The capabilities of our implementation are illustrated for a variety of examples.

We take a random matrix theory approach to random sketching and show an asymptotic first-order equivalence of the regularized sketched pseudoinverse of a positive semidefinite matrix to a certain evaluation of the resolvent of the same matrix. We focus on real-valued regularization and extend previous results on an asymptotic equivalence of random matrices to the real setting, providing a precise characterization of the equivalence even under negative regularization, including a precise characterization of the smallest nonzero eigenvalue of the sketched matrix, which may be of independent interest. We then further characterize the second-order equivalence of the sketched pseudoinverse. We also apply our results to the analysis of the sketch-and-project method and to sketched ridge regression. Lastly, we prove that these results generalize to asymptotically free sketching matrices, obtaining the resulting equivalence for orthogonal sketching matrices and comparing our results to several common sketches used in practice.

The chain graph model admits both undirected and directed edges in one graph, where symmetric conditional dependencies are encoded via undirected edges and asymmetric causal relations are encoded via directed edges. Though frequently encountered in practice, the chain graph model has been largely under investigated in literature, possibly due to the lack of identifiability conditions between undirected and directed edges. In this paper, we first establish a set of novel identifiability conditions for the Gaussian chain graph model, exploiting a low rank plus sparse decomposition of the precision matrix. Further, an efficient learning algorithm is built upon the identifiability conditions to fully recover the chain graph structure. Theoretical analysis on the proposed method is conducted, assuring its asymptotic consistency in recovering the exact chain graph structure. The advantage of the proposed method is also supported by numerical experiments on both simulated examples and a real application on the Standard & Poor 500 index data.

Information geometry is a study of statistical manifolds, that is, spaces of probability distributions from a geometric perspective. Its classical information-theoretic applications relate to statistical concepts such as Fisher information, sufficient statistics, and efficient estimators. Today, information geometry has emerged as an interdisciplinary field that finds applications in diverse areas such as radar sensing, array signal processing, quantum physics, deep learning, and optimal transport. This article presents an overview of essential information geometry to initiate an information theorist, who may be unfamiliar with this exciting area of research. We explain the concepts of divergences on statistical manifolds, generalized notions of distances, orthogonality, and geodesics, thereby paving the way for concrete applications and novel theoretical investigations. We also highlight some recent information-geometric developments, which are of interest to the broader information theory community.

The rapid development of deep learning has made a great progress in segmentation, one of the fundamental tasks of computer vision. However, the current segmentation algorithms mostly rely on the availability of pixel-level annotations, which are often expensive, tedious, and laborious. To alleviate this burden, the past years have witnessed an increasing attention in building label-efficient, deep-learning-based segmentation algorithms. This paper offers a comprehensive review on label-efficient segmentation methods. To this end, we first develop a taxonomy to organize these methods according to the supervision provided by different types of weak labels (including no supervision, coarse supervision, incomplete supervision and noisy supervision) and supplemented by the types of segmentation problems (including semantic segmentation, instance segmentation and panoptic segmentation). Next, we summarize the existing label-efficient segmentation methods from a unified perspective that discusses an important question: how to bridge the gap between weak supervision and dense prediction -- the current methods are mostly based on heuristic priors, such as cross-pixel similarity, cross-label constraint, cross-view consistency, cross-image relation, etc. Finally, we share our opinions about the future research directions for label-efficient deep segmentation.

The generalization mystery in deep learning is the following: Why do over-parameterized neural networks trained with gradient descent (GD) generalize well on real datasets even though they are capable of fitting random datasets of comparable size? Furthermore, from among all solutions that fit the training data, how does GD find one that generalizes well (when such a well-generalizing solution exists)? We argue that the answer to both questions lies in the interaction of the gradients of different examples during training. Intuitively, if the per-example gradients are well-aligned, that is, if they are coherent, then one may expect GD to be (algorithmically) stable, and hence generalize well. We formalize this argument with an easy to compute and interpretable metric for coherence, and show that the metric takes on very different values on real and random datasets for several common vision networks. The theory also explains a number of other phenomena in deep learning, such as why some examples are reliably learned earlier than others, why early stopping works, and why it is possible to learn from noisy labels. Moreover, since the theory provides a causal explanation of how GD finds a well-generalizing solution when one exists, it motivates a class of simple modifications to GD that attenuate memorization and improve generalization. Generalization in deep learning is an extremely broad phenomenon, and therefore, it requires an equally general explanation. We conclude with a survey of alternative lines of attack on this problem, and argue that the proposed approach is the most viable one on this basis.

Neural machine translation (NMT) is a deep learning based approach for machine translation, which yields the state-of-the-art translation performance in scenarios where large-scale parallel corpora are available. Although the high-quality and domain-specific translation is crucial in the real world, domain-specific corpora are usually scarce or nonexistent, and thus vanilla NMT performs poorly in such scenarios. Domain adaptation that leverages both out-of-domain parallel corpora as well as monolingual corpora for in-domain translation, is very important for domain-specific translation. In this paper, we give a comprehensive survey of the state-of-the-art domain adaptation techniques for NMT.

While it is nearly effortless for humans to quickly assess the perceptual similarity between two images, the underlying processes are thought to be quite complex. Despite this, the most widely used perceptual metrics today, such as PSNR and SSIM, are simple, shallow functions, and fail to account for many nuances of human perception. Recently, the deep learning community has found that features of the VGG network trained on the ImageNet classification task has been remarkably useful as a training loss for image synthesis. But how perceptual are these so-called "perceptual losses"? What elements are critical for their success? To answer these questions, we introduce a new Full Reference Image Quality Assessment (FR-IQA) dataset of perceptual human judgments, orders of magnitude larger than previous datasets. We systematically evaluate deep features across different architectures and tasks and compare them with classic metrics. We find that deep features outperform all previous metrics by huge margins. More surprisingly, this result is not restricted to ImageNet-trained VGG features, but holds across different deep architectures and levels of supervision (supervised, self-supervised, or even unsupervised). Our results suggest that perceptual similarity is an emergent property shared across deep visual representations.