OpenRaiser/Intern-Atlas huggingface dataset:
Provably robust boosted decision stumps and trees against adversarial attacks
Venue: Conference NeurIPS 2019
Year: 2019

The problem of adversarial robustness has been studied extensively for neural networks. However, for boosted decision trees and decision stumps there are almost no results, even though they are widely used in practice (e.g. XGBoost) due to their accuracy, interpretability, and efficiency. We show in this paper that for boosted decision stumps the \textit{exact} min-max robust loss and test error for an $l_\infty$-attack can be computed in $O(T\log T)$ time per input, where $T$ is the number of decision stumps and the optimal update step of the ensemble can be done in $O(n^2\,T\log T)$, where $n$ is the number of data points. For boosted trees we show how to efficiently calculate and optimize an upper bound on the robust loss, which leads to state-of-the-art robust test error for boosted trees on MNIST (12.5% for $ε_\infty=0.3$), FMNIST (23.2% for $ε_\infty=0.1$), and CIFAR-10 (74.7% for $ε_\infty=8/255$). Moreover, the robust test error rates we achieve are competitive to the ones of provably robust convolutional networks. The code of all our experiments is available at http://github.com/max-andr/provably-robust-boosting
On the Correctness and Sample Complexity of Inverse Reinforcement Learning
Venue: Conference NeurIPS 2019
Year: 2019

Inverse reinforcement learning (IRL) is the problem of finding a reward function that generates a given optimal policy for a given Markov Decision Process. This paper looks at an algorithmic-independent geometric analysis of the IRL problem with finite states and actions. A L1-regularized Support Vector Machine formulation of the IRL problem motivated by the geometric analysis is then proposed with the basic objective of the inverse reinforcement problem in mind: to find a reward function that generates a specified optimal policy. The paper further analyzes the proposed formulation of inverse reinforcement learning with $n$ states and $k$ actions, and shows a sample complexity of $O(n^2 \log (nk))$ for recovering a reward function that generates a policy that satisfies Bellman's optimality condition with respect to the true transition probabilities.
A New Distribution on the Simplex with Auto-Encoding Applications
Venue: Conference NeurIPS 2019
Year: 2019

We construct a new distribution for the simplex using the Kumaraswamy distribution and an ordered stick-breaking process. We explore and develop the theoretical properties of this new distribution and prove that it exhibits symmetry under the same conditions as the well-known Dirichlet. Like the Dirichlet, the new distribution is adept at capturing sparsity but, unlike the Dirichlet, has an exact and closed form reparameterization--making it well suited for deep variational Bayesian modeling. We demonstrate the distribution's utility in a variety of semi-supervised auto-encoding tasks. In all cases, the resulting models achieve competitive performance commensurate with their simplicity, use of explicit probability models, and abstinence from adversarial training.
Model Selection for Contextual Bandits
Venue: Conference NeurIPS 2019
Year: 2019

We introduce the problem of model selection for contextual bandits, where a learner must adapt to the complexity of the optimal policy while balancing exploration and exploitation. Our main result is a new model selection guarantee for linear contextual bandits. We work in the stochastic realizable setting with a sequence of nested linear policy classes of dimension $d_1 < d_2 < \ldots$, where the $m^\star$-th class contains the optimal policy, and we design an algorithm that achieves $\tilde{O}(T^{2/3}d^{1/3}_{m^\star})$ regret with no prior knowledge of the optimal dimension $d_{m^\star}$. The algorithm also achieves regret $\tilde{O}(T^{3/4} + \sqrt{Td_{m^\star}})$, which is optimal for $d_{m^{\star}}\geq{}\sqrt{T}$. This is the first model selection result for contextual bandits with non-vacuous regret for all values of $d_{m^\star}$, and to the best of our knowledge is the first positive result of this type for any online learning setting with partial information. The core of the algorithm is a new estimator for the gap in the best loss achievable by two linear policy classes, which we show admits a convergence rate faster than the rate required to learn the parameters for either class.
FreeAnchor: Learning to Match Anchors for Visual Object Detection
Venue: Conference NeurIPS 2019
Year: 2019

Modern CNN-based object detectors assign anchors for ground-truth objects under the restriction of object-anchor Intersection-over-Unit (IoU). In this study, we propose a learning-to-match approach to break IoU restriction, allowing objects to match anchors in a flexible manner. Our approach, referred to as FreeAnchor, updates hand-crafted anchor assignment to "free" anchor matching by formulating detector training as a maximum likelihood estimation (MLE) procedure. FreeAnchor targets at learning features which best explain a class of objects in terms of both classification and localization. FreeAnchor is implemented by optimizing detection customized likelihood and can be fused with CNN-based detectors in a plug-and-play manner. Experiments on COCO demonstrate that FreeAnchor consistently outperforms their counterparts with significant margins.
PC-Fairness: A Unified Framework for Measuring Causality-based Fairness
Venue: Conference NeurIPS 2019
Year: 2019

A recent trend of fair machine learning is to define fairness as causality-based notions which concern the causal connection between protected attributes and decisions. However, one common challenge of all causality-based fairness notions is identifiability, i.e., whether they can be uniquely measured from observational data, which is a critical barrier to applying these notions to real-world situations. In this paper, we develop a framework for measuring different causality-based fairness. We propose a unified definition that covers most of previous causality-based fairness notions, namely the path-specific counterfactual fairness (PC fairness). Based on that, we propose a general method in the form of a constrained optimization problem for bounding the path-specific counterfactual fairness under all unidentifiable situations. Experiments on synthetic and real-world datasets show the correctness and effectiveness of our method.
Worst-Case Regret Bounds for Exploration via Randomized Value Functions
Venue: Conference NeurIPS 2019
Year: 2019

This paper studies a recent proposal to use randomized value functions to drive exploration in reinforcement learning. These randomized value functions are generated by injecting random noise into the training data, making the approach compatible with many popular methods for estimating parameterized value functions. By providing a worst-case regret bound for tabular finite-horizon Markov decision processes, we show that planning with respect to these randomized value functions can induce provably efficient exploration.
Fast and Provable ADMM for Learning with Generative Priors
Venue: Conference NeurIPS 2019
Year: 2019

In this work, we propose a (linearized) Alternating Direction Method-of-Multipliers (ADMM) algorithm for minimizing a convex function subject to a nonconvex constraint. We focus on the special case where such constraint arises from the specification that a variable should lie in the range of a neural network. This is motivated by recent successful applications of Generative Adversarial Networks (GANs) in tasks like compressive sensing, denoising and robustness against adversarial examples. The derived rates for our algorithm are characterized in terms of certain geometric properties of the generator network, which we show hold for feedforward architectures, under mild assumptions. Unlike gradient descent (GD), it can efficiently handle non-smooth objectives as well as exploit efficient partial minimization procedures, thus being faster in many practical scenarios.
GRU-ODE-Bayes: Continuous Modeling of Sporadically-Observed Time Series
Venue: Conference NeurIPS 2019
Year: 2019

Modeling real-world multidimensional time series can be particularly challenging when these are sporadically observed (i.e., sampling is irregular both in time and across dimensions)-such as in the case of clinical patient data. To address these challenges, we propose (1) a continuous-time version of the Gated Recurrent Unit, building upon the recent Neural Ordinary Differential Equations (Chen et al., 2018), and (2) a Bayesian update network that processes the sporadic observations. We bring these two ideas together in our GRU-ODE-Bayes method. We then demonstrate that the proposed method encodes a continuity prior for the latent process and that it can exactly represent the Fokker-Planck dynamics of complex processes driven by a multidimensional stochastic differential equation. Additionally, empirical evaluation shows that our method outperforms the state of the art on both synthetic data and real-world data with applications in healthcare and climate forecast. What is more, the continuity prior is shown to be well suited for low number of samples settings.
A Model to Search for Synthesizable Molecules
Venue: Conference NeurIPS 2019
Year: 2019

Deep generative models are able to suggest new organic molecules by generating strings, trees, and graphs representing their structure. While such models allow one to generate molecules with desirable properties, they give no guarantees that the molecules can actually be synthesized in practice. We propose a new molecule generation model, mirroring a more realistic real-world process, where (a) reactants are selected, and (b) combined to form more complex molecules. More specifically, our generative model proposes a bag of initial reactants (selected from a pool of commercially-available molecules) and uses a reaction model to predict how they react together to generate new molecules. We first show that the model can generate diverse, valid and unique molecules due to the useful inductive biases of modeling reactions. Furthermore, our model allows chemists to interrogate not only the properties of the generated molecules but also the feasibility of the synthesis routes. We conclude by using our model to solve retrosynthesis problems, predicting a set of reactants that can produce a target product.
Empirically Measuring Concentration: Fundamental Limits on Intrinsic Robustness
Venue: Conference NeurIPS 2019
Year: 2019

Many recent works have shown that adversarial examples that fool classifiers can be found by minimally perturbing a normal input. Recent theoretical results, starting with Gilmer et al. (2018b), show that if the inputs are drawn from a concentrated metric probability space, then adversarial examples with small perturbation are inevitable. A concentrated space has the property that any subset with $Ω(1)$ (e.g., 1/100) measure, according to the imposed distribution, has small distance to almost all (e.g., 99/100) of the points in the space. It is not clear, however, whether these theoretical results apply to actual distributions such as images. This paper presents a method for empirically measuring and bounding the concentration of a concrete dataset which is proven to converge to the actual concentration. We use it to empirically estimate the intrinsic robustness to $\ell_\infty$ and $\ell_2$ perturbations of several image classification benchmarks. Code for our experiments is available at https://github.com/xiaozhanguva/Measure-Concentration.
Drill-down: Interactive Retrieval of Complex Scenes using Natural Language Queries
Venue: Conference NeurIPS 2019
Year: 2019

This paper explores the task of interactive image retrieval using natural language queries, where a user progressively provides input queries to refine a set of retrieval results. Moreover, our work explores this problem in the context of complex image scenes containing multiple objects. We propose Drill-down, an effective framework for encoding multiple queries with an efficient compact state representation that significantly extends current methods for single-round image retrieval. We show that using multiple rounds of natural language queries as input can be surprisingly effective to find arbitrarily specific images of complex scenes. Furthermore, we find that existing image datasets with textual captions can provide a surprisingly effective form of weak supervision for this task. We compare our method with existing sequential encoding and embedding networks, demonstrating superior performance on two proposed benchmarks: automatic image retrieval on a simulated scenario that uses region captions as queries, and interactive image retrieval using real queries from human evaluators.
Generalization in Generative Adversarial Networks: A Novel Perspective from Privacy Protection
Venue: Conference NeurIPS 2019
Year: 2019

In this paper, we aim to understand the generalization properties of generative adversarial networks (GANs) from a new perspective of privacy protection. Theoretically, we prove that a differentially private learning algorithm used for training the GAN does not overfit to a certain degree, i.e., the generalization gap can be bounded. Moreover, some recent works, such as the Bayesian GAN, can be re-interpreted based on our theoretical insight from privacy protection. Quantitatively, to evaluate the information leakage of well-trained GAN models, we perform various membership attacks on these models. The results show that previous Lipschitz regularization techniques are effective in not only reducing the generalization gap but also alleviating the information leakage of the training dataset.
Large Scale Structure of Neural Network Loss Landscapes
Venue: Conference NeurIPS 2019
Year: 2019

There are many surprising and perhaps counter-intuitive properties of optimization of deep neural networks. We propose and experimentally verify a unified phenomenological model of the loss landscape that incorporates many of them. High dimensionality plays a key role in our model. Our core idea is to model the loss landscape as a set of high dimensional \emph{wedges} that together form a large-scale, inter-connected structure and towards which optimization is drawn. We first show that hyperparameter choices such as learning rate, network width and $L_2$ regularization, affect the path optimizer takes through the landscape in a similar ways, influencing the large scale curvature of the regions the optimizer explores. Finally, we predict and demonstrate new counter-intuitive properties of the loss-landscape. We show an existence of low loss subspaces connecting a set (not only a pair) of solutions, and verify it experimentally. Finally, we analyze recently popular ensembling techniques for deep networks in the light of our model.
Model Similarity Mitigates Test Set Overuse
Venue: Conference NeurIPS 2019
Year: 2019

Excessive reuse of test data has become commonplace in today's machine learning workflows. Popular benchmarks, competitions, industrial scale tuning, among other applications, all involve test data reuse beyond guidance by statistical confidence bounds. Nonetheless, recent replication studies give evidence that popular benchmarks continue to support progress despite years of extensive reuse. We proffer a new explanation for the apparent longevity of test data: Many proposed models are similar in their predictions and we prove that this similarity mitigates overfitting. Specifically, we show empirically that models proposed for the ImageNet ILSVRC benchmark agree in their predictions well beyond what we can conclude from their accuracy levels alone. Likewise, models created by large scale hyperparameter search enjoy high levels of similarity. Motivated by these empirical observations, we give a non-asymptotic generalization bound that takes similarity into account, leading to meaningful confidence bounds in practical settings.
vGraph: A Generative Model for Joint Community Detection and Node Representation Learning
Venue: Conference NeurIPS 2019
Year: 2019

This paper focuses on two fundamental tasks of graph analysis: community detection and node representation learning, which capture the global and local structures of graphs, respectively. In the current literature, these two tasks are usually independently studied while they are actually highly correlated. We propose a probabilistic generative model called vGraph to learn community membership and node representation collaboratively. Specifically, we assume that each node can be represented as a mixture of communities, and each community is defined as a multinomial distribution over nodes. Both the mixing coefficients and the community distribution are parameterized by the low-dimensional representations of the nodes and communities. We designed an effective variational inference algorithm which regularizes the community membership of neighboring nodes to be similar in the latent space. Experimental results on multiple real-world graphs show that vGraph is very effective in both community detection and node representation learning, outperforming many competitive baselines in both tasks. We show that the framework of vGraph is quite flexible and can be easily extended to detect hierarchical communities.
Tight Sample Complexity of Learning One-hidden-layer Convolutional Neural Networks
Venue: Conference NeurIPS 2019
Year: 2019

We study the sample complexity of learning one-hidden-layer convolutional neural networks (CNNs) with non-overlapping filters. We propose a novel algorithm called approximate gradient descent for training CNNs, and show that, with high probability, the proposed algorithm with random initialization grants a linear convergence to the ground-truth parameters up to statistical precision. Compared with existing work, our result applies to general non-trivial, monotonic and Lipschitz continuous activation functions including ReLU, Leaky ReLU, Sigmod and Softplus etc. Moreover, our sample complexity beats existing results in the dependency of the number of hidden nodes and filter size. In fact, our result matches the information-theoretic lower bound for learning one-hidden-layer CNNs with linear activation functions, suggesting that our sample complexity is tight. Our theoretical analysis is backed up by numerical experiments.
Devign: Effective Vulnerability Identification by Learning Comprehensive Program Semantics via Graph Neural Networks
Venue: Conference NeurIPS 2019
Year: 2019

Vulnerability identification is crucial to protect the software systems from attacks for cyber security. It is especially important to localize the vulnerable functions among the source code to facilitate the fix. However, it is a challenging and tedious process, and also requires specialized security expertise. Inspired by the work on manually-defined patterns of vulnerabilities from various code representation graphs and the recent advance on graph neural networks, we propose Devign, a general graph neural network based model for graph-level classification through learning on a rich set of code semantic representations. It includes a novel Conv module to efficiently extract useful features in the learned rich node representations for graph-level classification. The model is trained over manually labeled datasets built on 4 diversified large-scale open-source C projects that incorporate high complexity and variety of real source code instead of synthesis code used in previous works. The results of the extensive evaluation on the datasets demonstrate that Devign outperforms the state of the arts significantly with an average of 10.51% higher accuracy and 8.68\% F1 score, increases averagely 4.66% accuracy and 6.37% F1 by the Conv module.
Probabilistic Watershed: Sampling all spanning forests for seeded segmentation and semi-supervised learning
Venue: Conference NeurIPS 2019
Year: 2019

The seeded Watershed algorithm / minimax semi-supervised learning on a graph computes a minimum spanning forest which connects every pixel / unlabeled node to a seed / labeled node. We propose instead to consider all possible spanning forests and calculate, for every node, the probability of sampling a forest connecting a certain seed with that node. We dub this approach "Probabilistic Watershed". Leo Grady (2006) already noted its equivalence to the Random Walker / Harmonic energy minimization. We here give a simpler proof of this equivalence and establish the computational feasibility of the Probabilistic Watershed with Kirchhoff's matrix tree theorem. Furthermore, we show a new connection between the Random Walker probabilities and the triangle inequality of the effective resistance. Finally, we derive a new and intuitive interpretation of the Power Watershed.
Learning Robust Options by Conditional Value at Risk Optimization
Venue: Conference NeurIPS 2019
Year: 2019

Options are generally learned by using an inaccurate environment model (or simulator), which contains uncertain model parameters. While there are several methods to learn options that are robust against the uncertainty of model parameters, these methods only consider either the worst case or the average (ordinary) case for learning options. This limited consideration of the cases often produces options that do not work well in the unconsidered case. In this paper, we propose a conditional value at risk (CVaR)-based method to learn options that work well in both the average and worst cases. We extend the CVaR-based policy gradient method proposed by Chow and Ghavamzadeh (2014) to deal with robust Markov decision processes and then apply the extended method to learning robust options. We conduct experiments to evaluate our method in multi-joint robot control tasks (HopperIceBlock, Half-Cheetah, and Walker2D). Experimental results show that our method produces options that 1) give better worst-case performance than the options learned only to minimize the average-case loss, and 2) give better average-case performance than the options learned only to minimize the worst-case loss.
A Generalized Algorithm for Multi-Objective Reinforcement Learning and Policy Adaptation
Venue: Conference NeurIPS 2019
Year: 2019

We introduce a new algorithm for multi-objective reinforcement learning (MORL) with linear preferences, with the goal of enabling few-shot adaptation to new tasks. In MORL, the aim is to learn policies over multiple competing objectives whose relative importance (preferences) is unknown to the agent. While this alleviates dependence on scalar reward design, the expected return of a policy can change significantly with varying preferences, making it challenging to learn a single model to produce optimal policies under different preference conditions. We propose a generalized version of the Bellman equation to learn a single parametric representation for optimal policies over the space of all possible preferences. After an initial learning phase, our agent can execute the optimal policy under any given preference, or automatically infer an underlying preference with very few samples. Experiments across four different domains demonstrate the effectiveness of our approach.