Adversarial training is an effective methodology for training deep neural networks that are robust against adversarial, norm-bounded perturbations. However, the computational cost of adversarial training grows prohibitively as the size of the model and number of input dimensions increase. Further, training against less expensive and therefore weaker adversaries produces models that are robust against weak attacks but break down under attacks that are stronger. This is often attributed to the phenomenon of gradient obfuscation; such models have a highly non-linear loss surface in the vicinity of training examples, making it hard for gradient-based attacks to succeed even though adversarial examples still exist. In this work, we introduce a novel regularizer that encourages the loss to behave linearly in the vicinity of the training data, thereby penalizing gradient obfuscation while encouraging robustness.

In structured output prediction tasks, labeling ground-truth training output is often expensive. However, for many tasks, even when the true output is unknown, we can evaluate predictions using a scalar reward function, which may be easily assembled from human knowledge or non-differentiable pipelines. But searching through the entire output space to find the best output with respect to this reward function is typically intractable. In this paper, we instead use efficient truncated randomized search in this reward function to train structured prediction energy networks (SPENs), which provide efficient test-time inference using gradient-based search on a smooth, learned representation of the score landscape, and have previously yielded state-of-the-art results in structured prediction. In particular, this truncated randomized search in the reward function yields previously unknown local improvements, providing effective supervision to SPENs, avoiding their traditional need for labeled training data. Papers published at the Neural Information Processing Systems Conference.

We propose in this paper a general framework for deriving loss functions for structured prediction. In our framework, the user chooses a convex set including the output space and provides an oracle for projecting onto that set. Given that oracle, our framework automatically generates a corresponding convex and smooth loss function. As we show, adding a projection as output layer provably makes the loss smaller. We identify the marginal polytope, the output space's convex hull, as the best convex set on which to project. However, because the projection onto the marginal polytope can sometimes be expensive to compute, we allow to use any convex superset instead, with potentially cheaper-to-compute projection.

Making a precise annotation in a large dataset is crucial to the performance of object detection. While the object detection task requires a huge number of annotated samples to guarantee its performance, placing bounding boxes for every object in each sample is time-consuming and costs a lot. To alleviate this problem, we propose a Consistency-based Semi-supervised learning method for object Detection (CSD), which is a way of using consistency constraints as a tool for enhancing detection performance by making full use of available unlabeled data. Specifically, the consistency constraint is applied not only for object classification but also for the localization. We also proposed Background Elimination (BE) to avoid the negative effect of the predominant backgrounds on the detection performance.

A Margin Generative Adversarial Network (MarginGAN) is proposed for semi-supervised learning problems. Like Triple-GAN, the proposed MarginGAN consists of three components---a generator, a discriminator and a classifier, among which two forms of adversarial training arise. The discriminator is trained as usual to distinguish real examples from fake examples produced by the generator. The new feature is that the classifier attempts to increase the margin of real examples and to decrease the margin of fake examples. On the contrary, the purpose of the generator is yielding realistic and large-margin examples in order to fool the discriminator and the classifier simultaneously. Pseudo labels are used for generated and unlabeled examples in training.

In this paper, we proposed a general framework for data poisoning attacks to graph-based semi-supervised learning (G-SSL). In this framework, we first unify different tasks, goals and constraints into a single formula for data poisoning attack in G-SSL, then we propose two specialized algorithms to efficiently solve two important cases --- poisoning regression tasks under $\ell_2$-norm constraint and classification tasks under $\ell_0$-norm constraint. In the former case, we transform it into a non-convex trust region problem and show that our gradient-based algorithm with delicate initialization and update scheme finds the (globally) optimal perturbation. For the latter case, although it is an NP-hard integer programming problem, we propose a probabilistic solver that works much better than the classical greedy method. Lastly, we test our framework on real datasets and evaluate the robustness of G-SSL algorithms.

Graph-based algorithms are among the most successful paradigms for solving semi-supervised learning tasks. Recent work on graph convolutional networks and neural graph learning methods has successfully combined the expressiveness of neural networks with graph structures. We propose a technique that, when applied to these methods, achieves state-of-the-art results on semi-supervised learning datasets. Traditional graph-based algorithms, such as label propagation, were designed with the underlying assumption that the label of a node can be imputed from that of the neighboring nodes. However, real-world graphs are either noisy or have edges that do not correspond to label agreement.

For joint inference over multiple variables, a variety of structured prediction techniques have been developed to model correlations among variables and thereby improve predictions. However, many classical approaches suffer from one of two primary drawbacks: they either lack the ability to model high-order correlations among variables while maintaining computationally tractable inference, or they do not allow to explicitly model known correlations. To address this shortcoming, we introduce'Graph Structured Prediction Energy Networks,' for which we develop inference techniques that allow to both model explicit local and implicit higher-order correlations while maintaining tractability of inference. We apply the proposed method to tasks from the natural language processing and computer vision domain and demonstrate its general utility. Papers published at the Neural Information Processing Systems Conference.

Machine learning techniques have recently been adopted in various applications in medicine, biology, chemistry, and material engineering. An important task is to predict the properties of molecules, which serves as the main subroutine in many downstream applications such as virtual screening and drug design. Despite the increasing interest, the key challenge is to construct proper representations of molecules for learning algorithms. This paper introduces the N-gram graph, a simple unsupervised representation for molecules. It then constructs a compact representation for the graph by assembling the vertex embeddings in short walks in the graph, which we show is equivalent to a simple graph neural network that needs no training. The representations can thus be efficiently computed and then used with supervised learning methods for prediction.

Key to structured prediction is exploiting the problem's structure to simplify the learning process. A major challenge arises when data exhibit a local structure (i.e., are made by parts'') that can be leveraged to better approximate the relation between (parts of) the input and (parts of) the output. Recent literature on signal processing, and in particular computer vision, shows that capturing these aspects is indeed essential to achieve state-of-the-art performance. However, in this context algorithms are typically derived on a case-by-case basis. In this work we propose the first theoretical framework to deal with part-based data from a general perspective and study a novel method within the setting of statistical learning theory.