Gaussian Process Networks (GPNs) are a class of directed graphical models which employ Gaussian processes as priors for the conditional expectation of each variable given its parents in the network. The model allows the description of continuous joint distributions in a compact but flexible manner with minimal parametric assumptions on the dependencies between variables. Bayesian structure learning of GPNs requires computing the posterior over graphs of the network and is computationally infeasible even in low dimensions. This work implements Monte Carlo and Markov Chain Monte Carlo methods to sample from the posterior distribution of network structures. As such, the approach follows the Bayesian paradigm, comparing models via their marginal likelihood and computing the posterior probability of the GPN features. Simulation studies show that our method outperforms state-of-the-art algorithms in recovering the graphical structure of the network and provides an accurate approximation of its posterior distribution.
Methods that use neural networks for synthesizing 3D shapes in the form of a part-based representation have been introduced over the last few years. These methods represent shapes as a graph or hierarchy of parts and enable a variety of applications such as shape sampling and reconstruction. However, current methods do not allow easily regenerating individual shape parts according to user preferences. In this paper, we investigate techniques that allow the user to generate multiple, diverse suggestions for individual parts. Specifically, we experiment with multimodal deep generative models that allow sampling diverse suggestions for shape parts and focus on models which have not been considered in previous work on shape synthesis. To provide a comparative study of these techniques, we introduce a method for synthesizing 3D shapes in a part-based representation and evaluate all the part suggestion techniques within this synthesis method. In our method, which is inspired by previous work, shapes are represented as a set of parts in the form of implicit functions which are then positioned in space to form the final shape. Synthesis in this representation is enabled by a neural network architecture based on an implicit decoder and a spatial transformer. We compare the various multimodal generative models by evaluating their performance in generating part suggestions. Our contribution is to show with qualitative and quantitative evaluations which of the new techniques for multimodal part generation perform the best and that a synthesis method based on the top-performing techniques allows the user to more finely control the parts that are generated in the 3D shapes while maintaining high shape fidelity when reconstructing shapes.
Multivariate Hawkes Processes (MHPs) are a class of point processes that can account for complex temporal dynamics among event sequences. In this work, we study the accuracy and computational efficiency of three classes of algorithms which, while widely used in the context of Bayesian inference, have rarely been applied in the context of MHPs: stochastic gradient expectation-maximization, stochastic gradient variational inference and stochastic gradient Langevin Monte Carlo. An important contribution of this paper is a novel approximation to the likelihood function that allows us to retain the computational advantages associated with conjugate settings while reducing approximation errors associated with the boundary effects. The comparisons are based on various simulated scenarios as well as an application to the study the risk dynamics in the Standard & Poor's 500 intraday index prices among its 11 sectors.
Open set recognition (OSR) requires the model to classify samples that belong to closed sets while rejecting unknown samples during test. Currently, generative models often perform better than discriminative models in OSR, but recent studies show that generative models may be computationally infeasible or unstable on complex tasks. In this paper, we provide insights into OSR and find that learning supplementary representations can theoretically reduce the open space risk. Based on the analysis, we propose a new model, namely Multi-Expert Diverse Attention Fusion (MEDAF), that learns diverse representations in a discriminative way. MEDAF consists of multiple experts that are learned with an attention diversity regularization term to ensure the attention maps are mutually different. The logits learned by each expert are adaptively fused and used to identify the unknowns through the score function. We show that the differences in attention maps can lead to diverse representations so that the fused representations can well handle the open space. Extensive experiments are conducted on standard and OSR large-scale benchmarks. Results show that the proposed discriminative method can outperform existing generative models by up to 9.5% on AUROC and achieve new state-of-the-art performance with little computational cost. Our method can also seamlessly integrate existing classification models. Code is available at //github.com/Vanixxz/MEDAF.
Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph representation. However, there is an inherent gap between self-supervised tasks and downstream tasks in terms of optimization objective and training data. Conventional pre-training methods may be not effective enough on knowledge transfer since they do not make any adaptation for downstream tasks. To solve such problems, we propose a new transfer learning paradigm on GNNs which could effectively leverage self-supervised tasks as auxiliary tasks to help the target task. Our methods would adaptively select and combine different auxiliary tasks with the target task in the fine-tuning stage. We design an adaptive auxiliary loss weighting model to learn the weights of auxiliary tasks by quantifying the consistency between auxiliary tasks and the target task. In addition, we learn the weighting model through meta-learning. Our methods can be applied to various transfer learning approaches, it performs well not only in multi-task learning but also in pre-training and fine-tuning. Comprehensive experiments on multiple downstream tasks demonstrate that the proposed methods can effectively combine auxiliary tasks with the target task and significantly improve the performance compared to state-of-the-art methods.
Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.
Adversarial attack is a technique for deceiving Machine Learning (ML) models, which provides a way to evaluate the adversarial robustness. In practice, attack algorithms are artificially selected and tuned by human experts to break a ML system. However, manual selection of attackers tends to be sub-optimal, leading to a mistakenly assessment of model security. In this paper, a new procedure called Composite Adversarial Attack (CAA) is proposed for automatically searching the best combination of attack algorithms and their hyper-parameters from a candidate pool of \textbf{32 base attackers}. We design a search space where attack policy is represented as an attacking sequence, i.e., the output of the previous attacker is used as the initialization input for successors. Multi-objective NSGA-II genetic algorithm is adopted for finding the strongest attack policy with minimum complexity. The experimental result shows CAA beats 10 top attackers on 11 diverse defenses with less elapsed time (\textbf{6 $\times$ faster than AutoAttack}), and achieves the new state-of-the-art on $l_{\infty}$, $l_{2}$ and unrestricted adversarial attacks.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
Embedding models for deterministic Knowledge Graphs (KG) have been extensively studied, with the purpose of capturing latent semantic relations between entities and incorporating the structured knowledge into machine learning. However, there are many KGs that model uncertain knowledge, which typically model the inherent uncertainty of relations facts with a confidence score, and embedding such uncertain knowledge represents an unresolved challenge. The capturing of uncertain knowledge will benefit many knowledge-driven applications such as question answering and semantic search by providing more natural characterization of the knowledge. In this paper, we propose a novel uncertain KG embedding model UKGE, which aims to preserve both structural and uncertainty information of relation facts in the embedding space. Unlike previous models that characterize relation facts with binary classification techniques, UKGE learns embeddings according to the confidence scores of uncertain relation facts. To further enhance the precision of UKGE, we also introduce probabilistic soft logic to infer confidence scores for unseen relation facts during training. We propose and evaluate two variants of UKGE based on different learning objectives. Experiments are conducted on three real-world uncertain KGs via three tasks, i.e. confidence prediction, relation fact ranking, and relation fact classification. UKGE shows effectiveness in capturing uncertain knowledge by achieving promising results on these tasks, and consistently outperforms baselines on these tasks.
Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications where data are generated from non-Euclidean domains and are represented as graphs with complex relationships and interdependency between objects. The complexity of graph data has imposed significant challenges on existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph data have emerged. In this survey, we provide a comprehensive overview of graph neural networks (GNNs) in data mining and machine learning fields. We propose a new taxonomy to divide the state-of-the-art graph neural networks into different categories. With a focus on graph convolutional networks, we review alternative architectures that have recently been developed; these learning paradigms include graph attention networks, graph autoencoders, graph generative networks, and graph spatial-temporal networks. We further discuss the applications of graph neural networks across various domains and summarize the open source codes and benchmarks of the existing algorithms on different learning tasks. Finally, we propose potential research directions in this fast-growing field.
Image-to-image translation aims to learn the mapping between two visual domains. There are two main challenges for many applications: 1) the lack of aligned training pairs and 2) multiple possible outputs from a single input image. In this work, we present an approach based on disentangled representation for producing diverse outputs without paired training images. To achieve diversity, we propose to embed images onto two spaces: a domain-invariant content space capturing shared information across domains and a domain-specific attribute space. Our model takes the encoded content features extracted from a given input and the attribute vectors sampled from the attribute space to produce diverse outputs at test time. To handle unpaired training data, we introduce a novel cross-cycle consistency loss based on disentangled representations. Qualitative results show that our model can generate diverse and realistic images on a wide range of tasks without paired training data. For quantitative comparisons, we measure realism with user study and diversity with a perceptual distance metric. We apply the proposed model to domain adaptation and show competitive performance when compared to the state-of-the-art on the MNIST-M and the LineMod datasets.