OpenRaiser/Intern-Atlas huggingface dataset:
Probing Emergent Semantics in Predictive Agents via Question Answering
Venue: Conference ICML 2020
Year: 2020

Recent work has shown how predictive modeling can endow agents with rich knowledge of their surroundings, improving their ability to act in complex environments. We propose question-answering as a general paradigm to decode and understand the representations that such agents develop, applying our method to two recent approaches to predictive modeling -action-conditional CPC (Guo et al., 2018) and SimCore (Gregor et al., 2019). After training agents with these predictive objectives in a visually-rich, 3D environment with an assortment of objects, colors, shapes, and spatial configurations, we probe their internal state representations with synthetic (English) questions, without backpropagating gradients from the question-answering decoder into the agent. The performance of different agents when probed this way reveals that they learn to encode factual, and seemingly compositional, information about objects, properties and spatial relations from their physical environment. Our approach is intuitive, i.e. humans can easily interpret responses of the model as opposed to inspecting continuous vectors, and model-agnostic, i.e. applicable to any modeling approach. By revealing the implicit knowledge of objects, quantities, properties and relations acquired by agents as they learn, question-conditional agent probing can stimulate the design and development of stronger predictive learning objectives.
Representing Unordered Data Using Complex-Weighted Multiset Automata
Venue: Conference ICML 2020
Year: 2020

Unordered, variable-sized inputs arise in many settings across multiple fields. The ability for set- and multiset-oriented neural networks to handle this type of input has been the focus of much work in recent years. We propose to represent multisets using complex-weighted multiset automata and show how the multiset representations of certain existing neural architectures can be viewed as special cases of ours. Namely, (1) we provide a new theoretical and intuitive justification for the Transformer model's representation of positions using sinusoidal functions, and (2) we extend the DeepSets model to use complex numbers, enabling it to outperform the existing model on an extension of one of their tasks.
Interpreting Robust Optimization via Adversarial Influence Functions
Venue: Conference ICML 2020
Year: 2020

Robust optimization has been widely used in nowadays data science, especially in adversarial training. However, little research has been done to quantify how robust optimization changes the optimizers and the prediction losses comparing to standard training. In this paper, inspired by the influence function in robust statistics, we introduce the Adversarial Influence Function (AIF) as a tool to investigate the solution produced by robust optimization. The proposed AIF enjoys a closed-form and can be calculated efficiently. To illustrate the usage of AIF, we apply it to study model sensitivity -- a quantity defined to capture the change of prediction losses on the natural data after implementing robust optimization. We use AIF to analyze how model complexity and randomized smoothing affect the model sensitivity with respect to specific models. We further derive AIF for kernel regressions, with a particular application to neural tangent kernels, and experimentally demonstrate the effectiveness of the proposed AIF. Lastly, the theories of AIF will be extended to distributional robust optimization.
Towards Understanding the Dynamics of the First-Order Adversaries
Venue: Conference ICML 2020
Year: 2020

An acknowledged weakness of neural networks is their vulnerability to adversarial perturbations to the inputs. To improve the robustness of these models, one of the most popular defense mechanisms is to alternatively maximize the loss over the constrained perturbations (or called adversaries) on the inputs using projected gradient ascent and minimize over weights. In this paper, we analyze the dynamics of the maximization step towards understanding the experimentally observed effectiveness of this defense mechanism. Specifically, we investigate the non-concave landscape of the adversaries for a two-layer neural network with a quadratic loss. Our main result proves that projected gradient ascent finds a local maximum of this non-concave problem in a polynomial number of iterations with high probability. To our knowledge, this is the first work that provides a convergence analysis of the first-order adversaries. Moreover, our analysis demonstrates that, in the initial phase of adversarial training, the scale of the inputs matters in the sense that a smaller input scale leads to faster convergence of adversarial training and a "more regular" landscape. Finally, we show that these theoretical findings are in excellent agreement with a series of experiments.
Enhancing Simple Models by Exploiting What They Already Know
Venue: Conference ICML 2020
Year: 2020

There has been recent interest in improving performance of simple models for multiple reasons such as interpretability, robust learning from small data, deployment in memory constrained settings as well as environmental considerations. In this paper, we propose a novel method SRatio that can utilize information from high performing complex models (viz. deep neural networks, boosted trees, random forests) to reweight a training dataset for a potentially low performing simple model of much lower complexity such as a decision tree or a shallow network enhancing its performance. Our method also leverages the per sample hardness estimate of the simple model which is not the case with the prior works which primarily consider the complex model's confidences/predictions and is thus conceptually novel. Moreover, we generalize and formalize the concept of attaching probes to intermediate layers of a neural network to other commonly used classifiers and incorporate this into our method. The benefit of these contributions is witnessed in the experiments where on 6 UCI datasets and CIFAR-10 we outperform competitors in a majority (16 out of 27) of the cases and tie for best performance in the remaining cases. In fact, in a couple of cases, we even approach the complex model's performance. We also conduct further experiments to validate assertions and intuitively understand why our method works. Theoretically, we motivate our approach by showing that the weighted loss minimized by simple models using our weighting upper bounds the loss of the complex model.
Generalization Guarantees for Sparse Kernel Approximation with Entropic Optimal Features
Venue: Conference ICML 2020
Year: 2020

Despite their success, kernel methods suffer from a massive computational cost in practice. In this paper, in lieu of commonly used kernel expansion with respect to $N$ inputs, we develop a novel optimal design maximizing the entropy among kernel features. This procedure results in a kernel expansion with respect to entropic optimal features (EOF), improving the data representation dramatically due to features dissimilarity. Under mild technical assumptions, our generalization bound shows that with only $O(N^{\frac{1}{4}})$ features (disregarding logarithmic factors), we can achieve the optimal statistical accuracy (i.e., $O(1/\sqrt{N})$). The salient feature of our design is its sparsity that significantly reduces the time and space cost. Our numerical experiments on benchmark datasets verify the superiority of EOF over the state-of-the-art in kernel approximation.
Layered Sampling for Robust Optimization Problems
Venue: Conference ICML 2020
Year: 2020

In real world, our datasets often contain outliers. Moreover, the outliers can seriously affect the final machine learning result. Most existing algorithms for handling outliers take high time complexities (e.g. quadratic or cubic complexity). {\em Coreset} is a popular approach for compressing data so as to speed up the optimization algorithms. However, the current coreset methods cannot be easily extended to handle the case with outliers. In this paper, we propose a new variant of coreset technique, {\em layered sampling}, to deal with two fundamental robust optimization problems: {\em $k$-median/means clustering with outliers} and {\em linear regression with outliers}. This new coreset method is in particular suitable to speed up the iterative algorithms (which often improve the solution within a local range) for those robust optimization problems. Moreover, our method is easy to be implemented in practice. We expect that our framework of layered sampling will be applicable to other robust optimization problems.
Provable Smoothness Guarantees for Black-Box Variational Inference
Venue: Conference ICML 2020
Year: 2020

Black-box variational inference tries to approximate a complex target distribution though a gradient-based optimization of the parameters of a simpler distribution. Provable convergence guarantees require structural properties of the objective. This paper shows that for location-scale family approximations, if the target is M-Lipschitz smooth, then so is the objective, if the entropy is excluded. The key proof idea is to describe gradients in a certain inner-product space, thus permitting use of Bessel's inequality. This result gives insight into how to parameterize distributions, gives bounds the location of the optimal parameters, and is a key ingredient for convergence guarantees.
On the Expressivity of Neural Networks for Deep Reinforcement Learning
Venue: Conference ICML 2020
Year: 2020

We compare the model-free reinforcement learning with the model-based approaches through the lens of the expressive power of neural networks for policies, $Q$-functions, and dynamics. We show, theoretically and empirically, that even for one-dimensional continuous state space, there are many MDPs whose optimal $Q$-functions and policies are much more complex than the dynamics. We hypothesize many real-world MDPs also have a similar property. For these MDPs, model-based planning is a favorable algorithm, because the resulting policies can approximate the optimal policy significantly better than a neural network parameterization can, and model-free or model-based policy optimization rely on policy parameterization. Motivated by the theory, we apply a simple multi-step model-based bootstrapping planner (BOOTS) to bootstrap a weak $Q$-function into a stronger policy. Empirical results show that applying BOOTS on top of model-based or model-free policy optimization algorithms at the test time improves the performance on MuJoCo benchmark tasks.
Multinomial Logit Bandit with Low Switching Cost
Venue: Conference ICML 2020
Year: 2020

We study multinomial logit bandit with limited adaptivity, where the algorithms change their exploration actions as infrequently as possible when achieving almost optimal minimax regret. We propose two measures of adaptivity: the assortment switching cost and the more fine-grained item switching cost. We present an anytime algorithm (AT-DUCB) with $O(N \log T)$ assortment switches, almost matching the lower bound $Ω(\frac{N \log T}{ \log \log T})$. In the fixed-horizon setting, our algorithm FH-DUCB incurs $O(N \log \log T)$ assortment switches, matching the asymptotic lower bound. We also present the ESUCB algorithm with item switching cost $O(N \log^2 T)$.
Collapsed Amortized Variational Inference for Switching Nonlinear Dynamical Systems
Venue: Conference ICML 2020
Year: 2020

We propose an efficient inference method for switching nonlinear dynamical systems. The key idea is to learn an inference network which can be used as a proposal distribution for the continuous latent variables, while performing exact marginalization of the discrete latent variables. This allows us to use the reparameterization trick, and apply end-to-end training with stochastic gradient descent. We show that the proposed method can successfully segment time series data, including videos and 3D human pose, into meaningful ``regimes'' by using the piece-wise nonlinear dynamics.
NGBoost: Natural Gradient Boosting for Probabilistic Prediction
Venue: Conference ICML 2020
Year: 2020

We present Natural Gradient Boosting (NGBoost), an algorithm for generic probabilistic prediction via gradient boosting. Typical regression models return a point estimate, conditional on covariates, but probabilistic regression models output a full probability distribution over the outcome space, conditional on the covariates. This allows for predictive uncertainty estimation -- crucial in applications like healthcare and weather forecasting. NGBoost generalizes gradient boosting to probabilistic regression by treating the parameters of the conditional distribution as targets for a multiparameter boosting algorithm. Furthermore, we show how the Natural Gradient is required to correct the training dynamics of our multiparameter boosting approach. NGBoost can be used with any base learner, any family of distributions with continuous parameters, and any scoring rule. NGBoost matches or exceeds the performance of existing methods for probabilistic prediction while offering additional benefits in flexibility, scalability, and usability. An open-source implementation is available at github.com/stanfordmlgroup/ngboost.
Minimax-Optimal Off-Policy Evaluation with Linear Function Approximation
Venue: Conference ICML 2020
Year: 2020

This paper studies the statistical theory of batch data reinforcement learning with function approximation. Consider the off-policy evaluation problem, which is to estimate the cumulative value of a new target policy from logged history generated by unknown behavioral policies. We study a regression-based fitted Q iteration method, and show that it is equivalent to a model-based method that estimates a conditional mean embedding of the transition operator. We prove that this method is information-theoretically optimal and has nearly minimal estimation error. In particular, by leveraging contraction property of Markov processes and martingale concentration, we establish a finite-sample instance-dependent error upper bound and a nearly-matching minimax lower bound. The policy evaluation error depends sharply on a restricted $χ^2$-divergence over the function class between the long-term distribution of the target policy and the distribution of past data. This restricted $χ^2$-divergence is both instance-dependent and function-class-dependent. It characterizes the statistical limit of off-policy evaluation. Further, we provide an easily computable confidence bound for the policy evaluator, which may be useful for optimistic planning and safe policy improvement.
Cooperative Multi-Agent Bandits with Heavy Tails
Venue: Conference ICML 2020
Year: 2020

We study the heavy-tailed stochastic bandit problem in the cooperative multi-agent setting, where a group of agents interact with a common bandit problem, while communicating on a network with delays. Existing algorithms for the stochastic bandit in this setting utilize confidence intervals arising from an averaging-based communication protocol known as~\textit{running consensus}, that does not lend itself to robust estimation for heavy-tailed settings. We propose \textsc{MP-UCB}, a decentralized multi-agent algorithm for the cooperative stochastic bandit that incorporates robust estimation with a message-passing protocol. We prove optimal regret bounds for \textsc{MP-UCB} for several problem settings, and also demonstrate its superiority to existing methods. Furthermore, we establish the first lower bounds for the cooperative bandit problem, in addition to providing efficient algorithms for robust bandit estimation of location.
Kernel Methods for Cooperative Multi-Agent Contextual Bandits
Venue: Conference ICML 2020
Year: 2020

Cooperative multi-agent decision making involves a group of agents cooperatively solving learning problems while communicating over a network with delays. In this paper, we consider the kernelised contextual bandit problem, where the reward obtained by an agent is an arbitrary linear function of the contexts' images in the related reproducing kernel Hilbert space (RKHS), and a group of agents must cooperate to collectively solve their unique decision problems. For this problem, we propose \textsc{Coop-KernelUCB}, an algorithm that provides near-optimal bounds on the per-agent regret, and is both computationally and communicatively efficient. For special cases of the cooperative problem, we also provide variants of \textsc{Coop-KernelUCB} that provides optimal per-agent regret. In addition, our algorithm generalizes several existing results in the multi-agent bandit setting. Finally, on a series of both synthetic and real-world multi-agent network benchmarks, we demonstrate that our algorithm significantly outperforms existing benchmarks.
Optimization Theory for ReLU Neural Networks Trained with Normalization Layers
Venue: Conference ICML 2020
Year: 2020

The success of deep neural networks is in part due to the use of normalization layers. Normalization layers like Batch Normalization, Layer Normalization and Weight Normalization are ubiquitous in practice, as they improve generalization performance and speed up training significantly. Nonetheless, the vast majority of current deep learning theory and non-convex optimization literature focuses on the un-normalized setting, where the functions under consideration do not exhibit the properties of commonly normalized neural networks. In this paper, we bridge this gap by giving the first global convergence result for two-layer neural networks with ReLU activations trained with a normalization layer, namely Weight Normalization. Our analysis shows how the introduction of normalization layers changes the optimization landscape and can enable faster convergence as compared with un-normalized neural networks.
Efficient and Scalable Bayesian Neural Nets with Rank-1 Factors
Venue: Conference ICML 2020
Year: 2020

Bayesian neural networks (BNNs) demonstrate promising success in improving the robustness and uncertainty quantification of modern deep learning. However, they generally struggle with underfitting at scale and parameter efficiency. On the other hand, deep ensembles have emerged as alternatives for uncertainty quantification that, while outperforming BNNs on certain problems, also suffer from efficiency issues. It remains unclear how to combine the strengths of these two approaches and remediate their common issues. To tackle this challenge, we propose a rank-1 parameterization of BNNs, where each weight matrix involves only a distribution on a rank-1 subspace. We also revisit the use of mixture approximate posteriors to capture multiple modes, where unlike typical mixtures, this approach admits a significantly smaller memory increase (e.g., only a 0.4% increase for a ResNet-50 mixture of size 10). We perform a systematic empirical study on the choices of prior, variational posterior, and methods to improve training. For ResNet-50 on ImageNet, Wide ResNet 28-10 on CIFAR-10/100, and an RNN on MIMIC-III, rank-1 BNNs achieve state-of-the-art performance across log-likelihood, accuracy, and calibration on the test sets and out-of-distribution variants.
Decision Trees for Decision-Making under the Predict-then-Optimize Framework
Venue: Conference ICML 2020
Year: 2020

We consider the use of decision trees for decision-making problems under the predict-then-optimize framework. That is, we would like to first use a decision tree to predict unknown input parameters of an optimization problem, and then make decisions by solving the optimization problem using the predicted parameters. A natural loss function in this framework is to measure the suboptimality of the decisions induced by the predicted input parameters, as opposed to measuring loss using input parameter prediction error. This natural loss function is known in the literature as the Smart Predict-then-Optimize (SPO) loss, and we propose a tractable methodology called SPO Trees (SPOTs) for training decision trees under this loss. SPOTs benefit from the interpretability of decision trees, providing an interpretable segmentation of contextual features into groups with distinct optimal solutions to the optimization problem of interest. We conduct several numerical experiments on synthetic and real data including the prediction of travel times for shortest path problems and predicting click probabilities for news article recommendation. We demonstrate on these datasets that SPOTs simultaneously provide higher quality decisions and significantly lower model complexity than other machine learning approaches (e.g., CART) trained to minimize prediction error.
Revisiting Spatial Invariance with Low-Rank Local Connectivity
Venue: Conference ICML 2020
Year: 2020

Convolutional neural networks are among the most successful architectures in deep learning with this success at least partially attributable to the efficacy of spatial invariance as an inductive bias. Locally connected layers, which differ from convolutional layers only in their lack of spatial invariance, usually perform poorly in practice. However, these observations still leave open the possibility that some degree of relaxation of spatial invariance may yield a better inductive bias than either convolution or local connectivity. To test this hypothesis, we design a method to relax the spatial invariance of a network layer in a controlled manner; we create a \textit{low-rank} locally connected layer, where the filter bank applied at each position is constructed as a linear combination of basis set of filter banks with spatially varying combining weights. By varying the number of basis filter banks, we can control the degree of relaxation of spatial invariance. In experiments with small convolutional networks, we find that relaxing spatial invariance improves classification accuracy over both convolution and locally connected layers across MNIST, CIFAR-10, and CelebA datasets, thus suggesting that spatial invariance may be an overly restrictive prior.
Divide and Conquer: Leveraging Intermediate Feature Representations for Quantized Training of Neural Networks
Venue: Conference ICML 2020
Year: 2020

The deep layers of modern neural networks extract a rather rich set of features as an input propagates through the network. This paper sets out to harvest these rich intermediate representations for quantization with minimal accuracy loss while significantly reducing the memory footprint and compute intensity of the DNN. This paper utilizes knowledge distillation through teacher-student paradigm (Hinton et al., 2015) in a novel setting that exploits the feature extraction capability of DNNs for higher-accuracy quantization. As such, our algorithm logically divides a pretrained full-precision DNN to multiple sections, each of which exposes intermediate features to train a team of students independently in the quantized domain. This divide and conquer strategy, in fact, makes the training of each student section possible in isolation while all these independently trained sections are later stitched together to form the equivalent fully quantized network. Our algorithm is a sectional approach towards knowledge distillation and is not treating the intermediate representation as a hint for pretraining before one knowledge distillation pass over the entire network (Romero et al., 2015). Experiments on various DNNs (AlexNet, LeNet, MobileNet, ResNet-18, ResNet-20, SVHN and VGG-11) show that, this approach -- called DCQ (Divide and Conquer Quantization) -- on average, improves the performance of a state-of-the-art quantized training technique, DoReFa-Net (Zhou et al., 2016) by 21.6% and 9.3% for binary and ternary quantization, respectively. Additionally, we show that incorporating DCQ to existing quantized training methods leads to improved accuracies as compared to previously reported by multiple state-of-the-art quantized training methods.