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Heterogeneous tabular data are the most commonly used form of data and are essential for numerous critical and computationally demanding applications. On homogeneous data sets, deep neural networks have repeatedly shown excellent performance and have therefore been widely adopted. However, their application to modeling tabular data (inference or generation) remains highly challenging. This work provides an overview of state-of-the-art deep learning methods for tabular data. We start by categorizing them into three groups: data transformations, specialized architectures, and regularization models. We then provide a comprehensive overview of the main approaches in each group. A discussion of deep learning approaches for generating tabular data is complemented by strategies for explaining deep models on tabular data. Our primary contribution is to address the main research streams and existing methodologies in this area, while highlighting relevant challenges and open research questions. To the best of our knowledge, this is the first in-depth look at deep learning approaches for tabular data. This work can serve as a valuable starting point and guide for researchers and practitioners interested in deep learning with tabular data.

Feature attribution is often loosely presented as the process of selecting a subset of relevant features as a rationale of a prediction. This lack of clarity stems from the fact that we usually do not have access to any notion of ground-truth attribution and from a more general debate on what good interpretations are. In this paper we propose to formalise feature selection/attribution based on the concept of relaxed functional dependence. In particular, we extend our notions to the instance-wise setting and derive necessary properties for candidate selection solutions, while leaving room for task-dependence. By computing ground-truth attributions on synthetic datasets, we evaluate many state-of-the-art attribution methods and show that, even when optimised, some fail to verify the proposed properties and provide wrong solutions.

The essence of multivariate sequential learning is all about how to extract dependencies in data. These data sets, such as hourly medical records in intensive care units and multi-frequency phonetic time series, often time exhibit not only strong serial dependencies in the individual components (the "marginal" memory) but also non-negligible memories in the cross-sectional dependencies (the "joint" memory). Because of the multivariate complexity in the evolution of the joint distribution that underlies the data generating process, we take a data-driven approach and construct a novel recurrent network architecture, termed Memory-Gated Recurrent Networks (mGRN), with gates explicitly regulating two distinct types of memories: the marginal memory and the joint memory. Through a combination of comprehensive simulation studies and empirical experiments on a range of public datasets, we show that our proposed mGRN architecture consistently outperforms state-of-the-art architectures targeting multivariate time series.

Graph neural networks (GNNs) are effective machine learning models for various graph learning problems. Despite their empirical successes, the theoretical limitations of GNNs have been revealed recently. Consequently, many GNN models have been proposed to overcome these limitations. In this survey, we provide a comprehensive overview of the expressive power of GNNs and provably powerful variants of GNNs.

Network embedding aims to learn a latent, low-dimensional vector representations of network nodes, effective in supporting various network analytic tasks. While prior arts on network embedding focus primarily on preserving network topology structure to learn node representations, recently proposed attributed network embedding algorithms attempt to integrate rich node content information with network topological structure for enhancing the quality of network embedding. In reality, networks often have sparse content, incomplete node attributes, as well as the discrepancy between node attribute feature space and network structure space, which severely deteriorates the performance of existing methods. In this paper, we propose a unified framework for attributed network embedding-attri2vec-that learns node embeddings by discovering a latent node attribute subspace via a network structure guided transformation performed on the original attribute space. The resultant latent subspace can respect network structure in a more consistent way towards learning high-quality node representations. We formulate an optimization problem which is solved by an efficient stochastic gradient descent algorithm, with linear time complexity to the number of nodes. We investigate a series of linear and non-linear transformations performed on node attributes and empirically validate their effectiveness on various types of networks. Another advantage of attri2vec is its ability to solve out-of-sample problems, where embeddings of new coming nodes can be inferred from their node attributes through the learned mapping function. Experiments on various types of networks confirm that attri2vec is superior to state-of-the-art baselines for node classification, node clustering, as well as out-of-sample link prediction tasks. The source code of this paper is available at //github.com/daokunzhang/attri2vec.

Recurrent neural networks (RNNs) provide state-of-the-art performance in processing sequential data but are memory intensive to train, limiting the flexibility of RNN models which can be trained. Reversible RNNs---RNNs for which the hidden-to-hidden transition can be reversed---offer a path to reduce the memory requirements of training, as hidden states need not be stored and instead can be recomputed during backpropagation. We first show that perfectly reversible RNNs, which require no storage of the hidden activations, are fundamentally limited because they cannot forget information from their hidden state. We then provide a scheme for storing a small number of bits in order to allow perfect reversal with forgetting. Our method achieves comparable performance to traditional models while reducing the activation memory cost by a factor of 10--15. We extend our technique to attention-based sequence-to-sequence models, where it maintains performance while reducing activation memory cost by a factor of 5--10 in the encoder, and a factor of 10--15 in the decoder.

Options in reinforcement learning allow agents to hierarchically decompose a task into subtasks, having the potential to speed up learning and planning. However, autonomously learning effective sets of options is still a major challenge in the field. In this paper we focus on the recently introduced idea of using representation learning methods to guide the option discovery process. Specifically, we look at eigenoptions, options obtained from representations that encode diffusive information flow in the environment. We extend the existing algorithms for eigenoption discovery to settings with stochastic transitions and in which handcrafted features are not available. We propose an algorithm that discovers eigenoptions while learning non-linear state representations from raw pixels. It exploits recent successes in the deep reinforcement learning literature and the equivalence between proto-value functions and the successor representation. We use traditional tabular domains to provide intuition about our approach and Atari 2600 games to demonstrate its potential.

We introduce a new neural architecture to learn the conditional probability of an output sequence with elements that are discrete tokens corresponding to positions in an input sequence. Such problems cannot be trivially addressed by existent approaches such as sequence-to-sequence and Neural Turing Machines, because the number of target classes in each step of the output depends on the length of the input, which is variable. Problems such as sorting variable sized sequences, and various combinatorial optimization problems belong to this class. Our model solves the problem of variable size output dictionaries using a recently proposed mechanism of neural attention. It differs from the previous attention attempts in that, instead of using attention to blend hidden units of an encoder to a context vector at each decoder step, it uses attention as a pointer to select a member of the input sequence as the output. We call this architecture a Pointer Net (Ptr-Net). We show Ptr-Nets can be used to learn approximate solutions to three challenging geometric problems -- finding planar convex hulls, computing Delaunay triangulations, and the planar Travelling Salesman Problem -- using training examples alone. Ptr-Nets not only improve over sequence-to-sequence with input attention, but also allow us to generalize to variable size output dictionaries. We show that the learnt models generalize beyond the maximum lengths they were trained on. We hope our results on these tasks will encourage a broader exploration of neural learning for discrete problems.

In this paper, we develop the continuous time dynamic topic model (cDTM). The cDTM is a dynamic topic model that uses Brownian motion to model the latent topics through a sequential collection of documents, where a "topic" is a pattern of word use that we expect to evolve over the course of the collection. We derive an efficient variational approximate inference algorithm that takes advantage of the sparsity of observations in text, a property that lets us easily handle many time points. In contrast to the cDTM, the original discrete-time dynamic topic model (dDTM) requires that time be discretized. Moreover, the complexity of variational inference for the dDTM grows quickly as time granularity increases, a drawback which limits fine-grained discretization. We demonstrate the cDTM on two news corpora, reporting both predictive perplexity and the novel task of time stamp prediction.