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Recently, Winter and Hahn [1] commented on our work on identifying subtypes of major psychiatry disorders (MPDs) based on neurobiological features using machine learning [2]. They questioned the generalizability of our methods and the statistical significance, stability, and overfitting of the results, and proposed a pipeline for disease subtyping. We appreciate their earnest consideration of our work, however, we need to point out their misconceptions of basic machine-learning concepts and delineate some key issues involved.

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In the pursuit of explaining implicit regularization in deep learning, prominent focus was given to matrix and tensor factorizations, which correspond to simplified neural networks. It was shown that these models exhibit an implicit tendency towards low matrix and tensor ranks, respectively. Drawing closer to practical deep learning, the current paper theoretically analyzes the implicit regularization in hierarchical tensor factorization, a model equivalent to certain deep convolutional neural networks. Through a dynamical systems lens, we overcome challenges associated with hierarchy, and establish implicit regularization towards low hierarchical tensor rank. This translates to an implicit regularization towards locality for the associated convolutional networks. Inspired by our theory, we design explicit regularization discouraging locality, and demonstrate its ability to improve the performance of modern convolutional networks on non-local tasks, in defiance of conventional wisdom by which architectural changes are needed. Our work highlights the potential of enhancing neural networks via theoretical analysis of their implicit regularization.

Clustering is a fundamental machine learning task which has been widely studied in the literature. Classic clustering methods follow the assumption that data are represented as features in a vectorized form through various representation learning techniques. As the data become increasingly complicated and complex, the shallow (traditional) clustering methods can no longer handle the high-dimensional data type. With the huge success of deep learning, especially the deep unsupervised learning, many representation learning techniques with deep architectures have been proposed in the past decade. Recently, the concept of Deep Clustering, i.e., jointly optimizing the representation learning and clustering, has been proposed and hence attracted growing attention in the community. Motivated by the tremendous success of deep learning in clustering, one of the most fundamental machine learning tasks, and the large number of recent advances in this direction, in this paper we conduct a comprehensive survey on deep clustering by proposing a new taxonomy of different state-of-the-art approaches. We summarize the essential components of deep clustering and categorize existing methods by the ways they design interactions between deep representation learning and clustering. Moreover, this survey also provides the popular benchmark datasets, evaluation metrics and open-source implementations to clearly illustrate various experimental settings. Last but not least, we discuss the practical applications of deep clustering and suggest challenging topics deserving further investigations as future directions.

Inspired by the human cognitive system, attention is a mechanism that imitates the human cognitive awareness about specific information, amplifying critical details to focus more on the essential aspects of data. Deep learning has employed attention to boost performance for many applications. Interestingly, the same attention design can suit processing different data modalities and can easily be incorporated into large networks. Furthermore, multiple complementary attention mechanisms can be incorporated in one network. Hence, attention techniques have become extremely attractive. However, the literature lacks a comprehensive survey specific to attention techniques to guide researchers in employing attention in their deep models. Note that, besides being demanding in terms of training data and computational resources, transformers only cover a single category in self-attention out of the many categories available. We fill this gap and provide an in-depth survey of 50 attention techniques categorizing them by their most prominent features. We initiate our discussion by introducing the fundamental concepts behind the success of attention mechanism. Next, we furnish some essentials such as the strengths and limitations of each attention category, describe their fundamental building blocks, basic formulations with primary usage, and applications specifically for computer vision. We also discuss the challenges and open questions related to attention mechanism in general. Finally, we recommend possible future research directions for deep attention.

Graph neural networks generalize conventional neural networks to graph-structured data and have received widespread attention due to their impressive representation ability. In spite of the remarkable achievements, the performance of Euclidean models in graph-related learning is still bounded and limited by the representation ability of Euclidean geometry, especially for datasets with highly non-Euclidean latent anatomy. Recently, hyperbolic space has gained increasing popularity in processing graph data with tree-like structure and power-law distribution, owing to its exponential growth property. In this survey, we comprehensively revisit the technical details of the current hyperbolic graph neural networks, unifying them into a general framework and summarizing the variants of each component. More importantly, we present various HGNN-related applications. Last, we also identify several challenges, which potentially serve as guidelines for further flourishing the achievements of graph learning in hyperbolic spaces.

In the past decade, we have witnessed the rise of deep learning to dominate the field of artificial intelligence. Advances in artificial neural networks alongside corresponding advances in hardware accelerators with large memory capacity, together with the availability of large datasets enabled researchers and practitioners alike to train and deploy sophisticated neural network models that achieve state-of-the-art performance on tasks across several fields spanning computer vision, natural language processing, and reinforcement learning. However, as these neural networks become bigger, more complex, and more widely used, fundamental problems with current deep learning models become more apparent. State-of-the-art deep learning models are known to suffer from issues that range from poor robustness, inability to adapt to novel task settings, to requiring rigid and inflexible configuration assumptions. Ideas from collective intelligence, in particular concepts from complex systems such as self-organization, emergent behavior, swarm optimization, and cellular systems tend to produce solutions that are robust, adaptable, and have less rigid assumptions about the environment configuration. It is therefore natural to see these ideas incorporated into newer deep learning methods. In this review, we will provide a historical context of neural network research's involvement with complex systems, and highlight several active areas in modern deep learning research that incorporate the principles of collective intelligence to advance its current capabilities. To facilitate a bi-directional flow of ideas, we also discuss work that utilize modern deep learning models to help advance complex systems research. We hope this review can serve as a bridge between complex systems and deep learning communities to facilitate the cross pollination of ideas and foster new collaborations across disciplines.

The core of information retrieval (IR) is to identify relevant information from large-scale resources and return it as a ranked list to respond to user's information need. Recently, the resurgence of deep learning has greatly advanced this field and leads to a hot topic named NeuIR (i.e., neural information retrieval), especially the paradigm of pre-training methods (PTMs). Owing to sophisticated pre-training objectives and huge model size, pre-trained models can learn universal language representations from massive textual data, which are beneficial to the ranking task of IR. Since there have been a large number of works dedicating to the application of PTMs in IR, we believe it is the right time to summarize the current status, learn from existing methods, and gain some insights for future development. In this survey, we present an overview of PTMs applied in different components of IR system, including the retrieval component, the re-ranking component, and other components. In addition, we also introduce PTMs specifically designed for IR, and summarize available datasets as well as benchmark leaderboards. Moreover, we discuss some open challenges and envision some promising directions, with the hope of inspiring more works on these topics for future research.

This paper addresses the difficulty of forecasting multiple financial time series (TS) conjointly using deep neural networks (DNN). We investigate whether DNN-based models could forecast these TS more efficiently by learning their representation directly. To this end, we make use of the dynamic factor graph (DFG) from that we enhance by proposing a novel variable-length attention-based mechanism to render it memory-augmented. Using this mechanism, we propose an unsupervised DNN architecture for multivariate TS forecasting that allows to learn and take advantage of the relationships between these TS. We test our model on two datasets covering 19 years of investment funds activities. Our experimental results show that our proposed approach outperforms significantly typical DNN-based and statistical models at forecasting their 21-day price trajectory.

Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains is dramatically increasing in both size and complexity. Taken together, this suggests many exciting opportunities for deep learning applications in scientific settings. But a significant challenge to this is simply knowing where to start. The sheer breadth and diversity of different deep learning techniques makes it difficult to determine what scientific problems might be most amenable to these methods, or which specific combination of methods might offer the most promising first approach. In this survey, we focus on addressing this central issue, providing an overview of many widely used deep learning models, spanning visual, sequential and graph structured data, associated tasks and different training methods, along with techniques to use deep learning with less data and better interpret these complex models --- two central considerations for many scientific use cases. We also include overviews of the full design process, implementation tips, and links to a plethora of tutorials, research summaries and open-sourced deep learning pipelines and pretrained models, developed by the community. We hope that this survey will help accelerate the use of deep learning across different scientific domains.

Deep Convolutional Neural Networks (CNNs) are a special type of Neural Networks, which have shown state-of-the-art results on various competitive benchmarks. The powerful learning ability of deep CNN is largely achieved with the use of multiple non-linear feature extraction stages that can automatically learn hierarchical representation from the data. Availability of a large amount of data and improvements in the hardware processing units have accelerated the research in CNNs and recently very interesting deep CNN architectures are reported. The recent race in deep CNN architectures for achieving high performance on the challenging benchmarks has shown that the innovative architectural ideas, as well as parameter optimization, can improve the CNN performance on various vision-related tasks. In this regard, different ideas in the CNN design have been explored such as use of different activation and loss functions, parameter optimization, regularization, and restructuring of processing units. However, the major improvement in representational capacity is achieved by the restructuring of the processing units. Especially, the idea of using a block as a structural unit instead of a layer is gaining substantial appreciation. This survey thus focuses on the intrinsic taxonomy present in the recently reported CNN architectures and consequently, classifies the recent innovations in CNN architectures into seven different categories. These seven categories are based on spatial exploitation, depth, multi-path, width, feature map exploitation, channel boosting and attention. Additionally, it covers the elementary understanding of the CNN components and sheds light on the current challenges and applications of CNNs.

Machine-learning models have demonstrated great success in learning complex patterns that enable them to make predictions about unobserved data. In addition to using models for prediction, the ability to interpret what a model has learned is receiving an increasing amount of attention. However, this increased focus has led to considerable confusion about the notion of interpretability. In particular, it is unclear how the wide array of proposed interpretation methods are related, and what common concepts can be used to evaluate them. We aim to address these concerns by defining interpretability in the context of machine learning and introducing the Predictive, Descriptive, Relevant (PDR) framework for discussing interpretations. The PDR framework provides three overarching desiderata for evaluation: predictive accuracy, descriptive accuracy and relevancy, with relevancy judged relative to a human audience. Moreover, to help manage the deluge of interpretation methods, we introduce a categorization of existing techniques into model-based and post-hoc categories, with sub-groups including sparsity, modularity and simulatability. To demonstrate how practitioners can use the PDR framework to evaluate and understand interpretations, we provide numerous real-world examples. These examples highlight the often under-appreciated role played by human audiences in discussions of interpretability. Finally, based on our framework, we discuss limitations of existing methods and directions for future work. We hope that this work will provide a common vocabulary that will make it easier for both practitioners and researchers to discuss and choose from the full range of interpretation methods.

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