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Graph convolutional networks (GCNs) have achieved great success in graph representation learning by extracting high-level features from nodes and their topology. Since GCNs generally follow a message-passing mechanism, each node aggregates information from its first-order neighbour to update its representation. As a result, the representations of nodes with edges between them should be positively correlated and thus can be considered positive samples. However, there are more non-neighbour nodes in the whole graph, which provide diverse and useful information for the representation update. Two non-adjacent nodes usually have different representations, which can be seen as negative samples. Besides the node representations, the structural information of the graph is also crucial for learning. In this paper, we used quality-diversity decomposition in determinant point processes (DPP) to obtain diverse negative samples. When defining a distribution on diverse subsets of all non-neighbouring nodes, we incorporate both graph structure information and node representations. Since the DPP sampling process requires matrix eigenvalue decomposition, we propose a new shortest-path-base method to improve computational efficiency. Finally, we incorporate the obtained negative samples into the graph convolution operation. The ideas are evaluated empirically in experiments on node classification tasks. These experiments show that the newly proposed methods not only improve the overall performance of standard representation learning but also significantly alleviate over-smoothing problems.

Scheduled batch jobs have been widely used on the asynchronous computing platforms to execute various enterprise applications, including the scheduled notifications and the candidate pre-computation for the modern recommender systems. It is important to deliver or update the information to the users at the right time to maintain the user experience and the execution impact. However, it is challenging to provide a versatile execution time optimization solution for the user-basis scheduled jobs to satisfy various product scenarios while maintaining reasonable infrastructure resource consumption. In this paper, we describe how we apply a learning-to-rank approach plus a "best time policy" in the best time selection. In addition, we propose an ensemble learner to minimize the ranking loss by efficiently leveraging multiple streams of user activity signals in our scheduling decisions of the execution time. Especially, we observe the cannibalization cross use cases to compete the user's peak time slot and introduce a coordination system to mitigate the problem. Our optimization approach has been successfully tested with production traffic that serves billions of users per day, with statistically significant improvements in various product metrics, including the notifications and content candidate generation. To the best of our knowledge, our study represents the first ML-based multi-tenant solution of the execution time optimization problem for the scheduled jobs at a large industrial scale cross different product domains.

Machine learning models are critically susceptible to evasion attacks from adversarial examples. Generally, adversarial examples, modified inputs deceptively similar to the original input, are constructed under whitebox settings by adversaries with full access to the model. However, recent attacks have shown a remarkable reduction in query numbers to craft adversarial examples using blackbox attacks. Particularly, alarming is the ability to exploit the classification decision from the access interface of a trained model provided by a growing number of Machine Learning as a Service providers including Google, Microsoft, IBM and used by a plethora of applications incorporating these models. The ability of an adversary to exploit only the predicted label from a model to craft adversarial examples is distinguished as a decision-based attack. In our study, we first deep dive into recent state-of-the-art decision-based attacks in ICLR and SP to highlight the costly nature of discovering low distortion adversarial employing gradient estimation methods. We develop a robust query efficient attack capable of avoiding entrapment in a local minimum and misdirection from noisy gradients seen in gradient estimation methods. The attack method we propose, RamBoAttack, exploits the notion of Randomized Block Coordinate Descent to explore the hidden classifier manifold, targeting perturbations to manipulate only localized input features to address the issues of gradient estimation methods. Importantly, the RamBoAttack is more robust to the different sample inputs available to an adversary and the targeted class. Overall, for a given target class, RamBoAttack is demonstrated to be more robust at achieving a lower distortion within a given query budget. We curate our extensive results using the large-scale high-resolution ImageNet dataset and open-source our attack, test samples and artifacts on GitHub.

We present a novel depth completion approach agnostic to the sparsity of depth points, that is very likely to vary in many practical applications. State-of-the-art approaches yield accurate results only when processing a specific density and distribution of input points, i.e. the one observed during training, narrowing their deployment in real use cases. On the contrary, our solution is robust to uneven distributions and extremely low densities never witnessed during training. Experimental results on standard indoor and outdoor benchmarks highlight the robustness of our framework, achieving accuracy comparable to state-of-the-art methods when tested with density and distribution equal to the training one while being much more accurate in the other cases. Our pretrained models and further material are available in our project page.

Deep transfer learning (DTL) has formed a long-term quest toward enabling deep neural networks (DNNs) to reuse historical experiences as efficiently as humans. This ability is named knowledge transferability. A commonly used paradigm for DTL is firstly learning general knowledge (pre-training) and then reusing (fine-tuning) them for a specific target task. There are two consensuses of transferability of pre-trained DNNs: (1) a larger domain gap between pre-training and downstream data brings lower transferability; (2) the transferability gradually decreases from lower layers (near input) to higher layers (near output). However, these consensuses were basically drawn from the experiments based on natural images, which limits their scope of application. This work aims to study and complement them from a broader perspective by proposing a method to measure the transferability of pre-trained DNN parameters. Our experiments on twelve diverse image classification datasets get similar conclusions to the previous consensuses. More importantly, two new findings are presented, i.e., (1) in addition to the domain gap, a larger data amount and huge dataset diversity of downstream target task also prohibit the transferability; (2) although the lower layers learn basic image features, they are usually not the most transferable layers due to their domain sensitivity.

Knowledge graphs represent factual knowledge about the world as relationships between concepts and are critical for intelligent decision making in enterprise applications. New knowledge is inferred from the existing facts in the knowledge graphs by encoding the concepts and relations into low-dimensional feature vector representations. The most effective representations for this task, called Knowledge Graph Embeddings (KGE), are learned through neural network architectures. Due to their impressive predictive performance, they are increasingly used in high-impact domains like healthcare, finance and education. However, are the black-box KGE models adversarially robust for use in domains with high stakes? This thesis argues that state-of-the-art KGE models are vulnerable to data poisoning attacks, that is, their predictive performance can be degraded by systematically crafted perturbations to the training knowledge graph. To support this argument, two novel data poisoning attacks are proposed that craft input deletions or additions at training time to subvert the learned model's performance at inference time. These adversarial attacks target the task of predicting the missing facts in knowledge graphs using KGE models, and the evaluation shows that the simpler attacks are competitive with or outperform the computationally expensive ones. The thesis contributions not only highlight and provide an opportunity to fix the security vulnerabilities of KGE models, but also help to understand the black-box predictive behaviour of KGE models.

Graph machine learning has been extensively studied in both academic and industry. However, as the literature on graph learning booms with a vast number of emerging methods and techniques, it becomes increasingly difficult to manually design the optimal machine learning algorithm for different graph-related tasks. To tackle the challenge, automated graph machine learning, which aims at discovering the best hyper-parameter and neural architecture configuration for different graph tasks/data without manual design, is gaining an increasing number of attentions from the research community. In this paper, we extensively discuss automated graph machine approaches, covering hyper-parameter optimization (HPO) and neural architecture search (NAS) for graph machine learning. We briefly overview existing libraries designed for either graph machine learning or automated machine learning respectively, and further in depth introduce AutoGL, our dedicated and the world's first open-source library for automated graph machine learning. Last but not least, we share our insights on future research directions for automated graph machine learning. This paper is the first systematic and comprehensive discussion of approaches, libraries as well as directions for automated graph machine learning.

This paper serves as a survey of recent advances in large margin training and its theoretical foundations, mostly for (nonlinear) deep neural networks (DNNs) that are probably the most prominent machine learning models for large-scale data in the community over the past decade. We generalize the formulation of classification margins from classical research to latest DNNs, summarize theoretical connections between the margin, network generalization, and robustness, and introduce recent efforts in enlarging the margins for DNNs comprehensively. Since the viewpoint of different methods is discrepant, we categorize them into groups for ease of comparison and discussion in the paper. Hopefully, our discussions and overview inspire new research work in the community that aim to improve the performance of DNNs, and we also point to directions where the large margin principle can be verified to provide theoretical evidence why certain regularizations for DNNs function well in practice. We managed to shorten the paper such that the crucial spirit of large margin learning and related methods are better emphasized.

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.

Current deep learning research is dominated by benchmark evaluation. A method is regarded as favorable if it empirically performs well on the dedicated test set. This mentality is seamlessly reflected in the resurfacing area of continual learning, where consecutively arriving sets of benchmark data are investigated. The core challenge is framed as protecting previously acquired representations from being catastrophically forgotten due to the iterative parameter updates. However, comparison of individual methods is nevertheless treated in isolation from real world application and typically judged by monitoring accumulated test set performance. The closed world assumption remains predominant. It is assumed that during deployment a model is guaranteed to encounter data that stems from the same distribution as used for training. This poses a massive challenge as neural networks are well known to provide overconfident false predictions on unknown instances and break down in the face of corrupted data. In this work we argue that notable lessons from open set recognition, the identification of statistically deviating data outside of the observed dataset, and the adjacent field of active learning, where data is incrementally queried such that the expected performance gain is maximized, are frequently overlooked in the deep learning era. Based on these forgotten lessons, we propose a consolidated view to bridge continual learning, active learning and open set recognition in deep neural networks. Our results show that this not only benefits each individual paradigm, but highlights the natural synergies in a common framework. We empirically demonstrate improvements when alleviating catastrophic forgetting, querying data in active learning, selecting task orders, while exhibiting robust open world application where previously proposed methods fail.