OpenRaiser/Intern-Atlas huggingface dataset:
BayesNAS: A Bayesian Approach for Neural Architecture Search
Venue: Conference ICML 2019
Year: 2019

One-Shot Neural Architecture Search (NAS) is a promising method to significantly reduce search time without any separate training. It can be treated as a Network Compression problem on the architecture parameters from an over-parameterized network. However, there are two issues associated with most one-shot NAS methods. First, dependencies between a node and its predecessors and successors are often disregarded which result in improper treatment over zero operations. Second, architecture parameters pruning based on their magnitude is questionable. In this paper, we employ the classic Bayesian learning approach to alleviate these two issues by modeling architecture parameters using hierarchical automatic relevance determination (HARD) priors. Unlike other NAS methods, we train the over-parameterized network for only one epoch then update the architecture. Impressively, this enabled us to find the architecture on CIFAR-10 within only 0.2 GPU days using a single GPU. Competitive performance can be also achieved by transferring to ImageNet. As a byproduct, our approach can be applied directly to compress convolutional neural networks by enforcing structural sparsity which achieves extremely sparse networks without accuracy deterioration.
Surrogate Losses for Online Learning of Stepsizes in Stochastic Non-Convex Optimization
Venue: Conference ICML 2019
Year: 2019

Stochastic Gradient Descent (SGD) has played a central role in machine learning. However, it requires a carefully hand-picked stepsize for fast convergence, which is notoriously tedious and time-consuming to tune. Over the last several years, a plethora of adaptive gradient-based algorithms have emerged to ameliorate this problem. They have proved efficient in reducing the labor of tuning in practice, but many of them lack theoretic guarantees even in the convex setting. In this paper, we propose new surrogate losses to cast the problem of learning the optimal stepsizes for the stochastic optimization of a non-convex smooth objective function onto an online convex optimization problem. This allows the use of no-regret online algorithms to compute optimal stepsizes on the fly. In turn, this results in a SGD algorithm with self-tuned stepsizes that guarantees convergence rates that are automatically adaptive to the level of noise.
Beating Stochastic and Adversarial Semi-bandits Optimally and Simultaneously
Venue: Conference ICML 2019
Year: 2019

We develop the first general semi-bandit algorithm that simultaneously achieves $\mathcal{O}(\log T)$ regret for stochastic environments and $\mathcal{O}(\sqrt{T})$ regret for adversarial environments without knowledge of the regime or the number of rounds $T$. The leading problem-dependent constants of our bounds are not only optimal in some worst-case sense studied previously, but also optimal for two concrete instances of semi-bandit problems. Our algorithm and analysis extend the recent work of (Zimmert & Seldin, 2019) for the special case of multi-armed bandit, but importantly requires a novel hybrid regularizer designed specifically for semi-bandit. Experimental results on synthetic data show that our algorithm indeed performs well uniformly over different environments. We finally provide a preliminary extension of our results to the full bandit feedback.
Fast Context Adaptation via Meta-Learning
Venue: Conference ICML 2019
Year: 2019

We propose CAVIA for meta-learning, a simple extension to MAML that is less prone to meta-overfitting, easier to parallelise, and more interpretable. CAVIA partitions the model parameters into two parts: context parameters that serve as additional input to the model and are adapted on individual tasks, and shared parameters that are meta-trained and shared across tasks. At test time, only the context parameters are updated, leading to a low-dimensional task representation. We show empirically that CAVIA outperforms MAML for regression, classification, and reinforcement learning. Our experiments also highlight weaknesses in current benchmarks, in that the amount of adaptation needed in some cases is small.
Natural Analysts in Adaptive Data Analysis
Venue: Conference ICML 2019
Year: 2019

Adaptive data analysis is frequently criticized for its pessimistic generalization guarantees. The source of these pessimistic bounds is a model that permits arbitrary, possibly adversarial analysts that optimally use information to bias results. While being a central issue in the field, still lacking are notions of natural analysts that allow for more optimistic bounds faithful to the reality that typical analysts aren't adversarial. In this work, we propose notions of natural analysts that smoothly interpolate between the optimal non-adaptive bounds and the best-known adaptive generalization bounds. To accomplish this, we model the analyst's knowledge as evolving according to the rules of an unknown dynamical system that takes in revealed information and outputs new statistical queries to the data. This allows us to restrict the analyst through different natural control-theoretic notions. One such notion corresponds to a recency bias, formalizing an inability to arbitrarily use distant information. Another complementary notion formalizes an anchoring bias, a tendency to weight initial information more strongly. Both notions come with quantitative parameters that smoothly interpolate between the non-adaptive case and the fully adaptive case, allowing for a rich spectrum of intermediate analysts that are neither non-adaptive nor adversarial. Natural not only from a cognitive perspective, we show that our notions also capture standard optimization methods, like gradient descent in various settings. This gives a new interpretation to the fact that gradient descent tends to overfit much less than its adaptive nature might suggest.
BINOCULARS for efficient, nonmyopic sequential experimental design
Venue: Conference ICML 2020
Year: 2020

Finite-horizon sequential experimental design (SED) arises naturally in many contexts, including hyperparameter tuning in machine learning among more traditional settings. Computing the optimal policy for such problems requires solving Bellman equations, which are generally intractable. Most existing work resorts to severely myopic approximations by limiting the decision horizon to only a single time-step, which can underweight exploration in favor of exploitation. We present BINOCULARS: Batch-Informed NOnmyopic Choices, Using Long-horizons for Adaptive, Rapid SED, a general framework for deriving efficient, nonmyopic approximations to the optimal experimental policy. Our key idea is simple and surprisingly effective: we first compute a one-step optimal batch of experiments, then select a single point from this batch to evaluate. We realize BINOCULARS for Bayesian optimization and Bayesian quadrature -- two notable SED problems with radically different objectives -- and demonstrate that BINOCULARS significantly outperforms myopic alternatives in real-world scenarios.
ROMA: Multi-Agent Reinforcement Learning with Emergent Roles
Venue: Conference ICML 2020
Year: 2020

The role concept provides a useful tool to design and understand complex multi-agent systems, which allows agents with a similar role to share similar behaviors. However, existing role-based methods use prior domain knowledge and predefine role structures and behaviors. In contrast, multi-agent reinforcement learning (MARL) provides flexibility and adaptability, but less efficiency in complex tasks. In this paper, we synergize these two paradigms and propose a role-oriented MARL framework (ROMA). In this framework, roles are emergent, and agents with similar roles tend to share their learning and to be specialized on certain sub-tasks. To this end, we construct a stochastic role embedding space by introducing two novel regularizers and conditioning individual policies on roles. Experiments show that our method can learn specialized, dynamic, and identifiable roles, which help our method push forward the state of the art on the StarCraft II micromanagement benchmark. Demonstrative videos are available at https://sites.google.com/view/romarl/.
Learning and Sampling of Atomic Interventions from Observations
Venue: Conference ICML 2020
Year: 2020

We study the problem of efficiently estimating the effect of an intervention on a single variable (atomic interventions) using observational samples in a causal Bayesian network. Our goal is to give algorithms that are efficient in both time and sample complexity in a non-parametric setting. Tian and Pearl (AAAI `02) have exactly characterized the class of causal graphs for which causal effects of atomic interventions can be identified from observational data. We make their result quantitative. Suppose P is a causal model on a set $\vec{V}$ of n observable variables with respect to a given causal graph G with observable distribution $P$. Let $P_x$ denote the interventional distribution over the observables with respect to an intervention of a designated variable X with x. Assuming that $G$ has bounded in-degree, bounded c-components ($k$), and that the observational distribution is identifiable and satisfies certain strong positivity condition, we give an algorithm that takes $m=\tilde{O}(nε^{-2})$ samples from $P$ and $O(mn)$ time, and outputs with high probability a description of a distribution $\hat{P}$ such that $d_{\mathrm{TV}}(P_x, \hat{P}) \leq ε$, and: 1. [Evaluation] the description can return in $O(n)$ time the probability $\hat{P}(\vec{v})$ for any assignment $\vec{v}$ to $\vec{V}$ 2. [Generation] the description can return an iid sample from $\hat{P}$ in $O(n)$ time. We also show lower bounds for the sample complexity showing that our sample complexity has an optimal dependence on the parameters $n$ and $ε$, as well as if $k=1$ on the strong positivity parameter.
Implicit Class-Conditioned Domain Alignment for Unsupervised Domain Adaptation
Venue: Conference ICML 2020
Year: 2020

We present an approach for unsupervised domain adaptation---with a strong focus on practical considerations of within-domain class imbalance and between-domain class distribution shift---from a class-conditioned domain alignment perspective. Current methods for class-conditioned domain alignment aim to explicitly minimize a loss function based on pseudo-label estimations of the target domain. However, these methods suffer from pseudo-label bias in the form of error accumulation. We propose a method that removes the need for explicit optimization of model parameters from pseudo-labels directly. Instead, we present a sampling-based implicit alignment approach, where the sample selection procedure is implicitly guided by the pseudo-labels. Theoretical analysis reveals the existence of a domain-discriminator shortcut in misaligned classes, which is addressed by the proposed implicit alignment approach to facilitate domain-adversarial learning. Empirical results and ablation studies confirm the effectiveness of the proposed approach, especially in the presence of within-domain class imbalance and between-domain class distribution shift.
Invariant Causal Prediction for Block MDPs
Venue: Conference ICML 2020
Year: 2020

Generalization across environments is critical to the successful application of reinforcement learning algorithms to real-world challenges. In this paper, we consider the problem of learning abstractions that generalize in block MDPs, families of environments with a shared latent state space and dynamics structure over that latent space, but varying observations. We leverage tools from causal inference to propose a method of invariant prediction to learn model-irrelevance state abstractions (MISA) that generalize to novel observations in the multi-environment setting. We prove that for certain classes of environments, this approach outputs with high probability a state abstraction corresponding to the causal feature set with respect to the return. We further provide more general bounds on model error and generalization error in the multi-environment setting, in the process showing a connection between causal variable selection and the state abstraction framework for MDPs. We give empirical evidence that our methods work in both linear and nonlinear settings, attaining improved generalization over single- and multi-task baselines.
The Tree Ensemble Layer: Differentiability meets Conditional Computation
Venue: Conference ICML 2020
Year: 2020

Neural networks and tree ensembles are state-of-the-art learners, each with its unique statistical and computational advantages. We aim to combine these advantages by introducing a new layer for neural networks, composed of an ensemble of differentiable decision trees (a.k.a. soft trees). While differentiable trees demonstrate promising results in the literature, they are typically slow in training and inference as they do not support conditional computation. We mitigate this issue by introducing a new sparse activation function for sample routing, and implement true conditional computation by developing specialized forward and backward propagation algorithms that exploit sparsity. Our efficient algorithms pave the way for jointly training over deep and wide tree ensembles using first-order methods (e.g., SGD). Experiments on 23 classification datasets indicate over 10x speed-ups compared to the differentiable trees used in the literature and over 20x reduction in the number of parameters compared to gradient boosted trees, while maintaining competitive performance. Moreover, experiments on CIFAR, MNIST, and Fashion MNIST indicate that replacing dense layers in CNNs with our tree layer reduces the test loss by 7-53% and the number of parameters by 8x. We provide an open-source TensorFlow implementation with a Keras API.
Data-Dependent Differentially Private Parameter Learning for Directed Graphical Models
Venue: Conference ICML 2020
Year: 2020

Directed graphical models (DGMs) are a class of probabilistic models that are widely used for predictive analysis in sensitive domains, such as medical diagnostics. In this paper we present an algorithm for differentially private learning of the parameters of a DGM with a publicly known graph structure over fully observed data. Our solution optimizes for the utility of inference queries over the DGM and \textit{adds noise that is customized to the properties of the private input dataset and the graph structure of the DGM}. To the best of our knowledge, this is the first explicit data-dependent privacy budget allocation algorithm for DGMs. We compare our algorithm with a standard data-independent approach over a diverse suite of DGM benchmarks and demonstrate that our solution requires a privacy budget that is $3\times$ smaller to obtain the same or higher utility.
InfoGAN-CR and ModelCentrality: Self-supervised Model Training and Selection for Disentangling GANs
Venue: Conference ICML 2020
Year: 2020

Disentangled generative models map a latent code vector to a target space, while enforcing that a subset of the learned latent codes are interpretable and associated with distinct properties of the target distribution. Recent advances have been dominated by Variational AutoEncoder (VAE)-based methods, while training disentangled generative adversarial networks (GANs) remains challenging. In this work, we show that the dominant challenges facing disentangled GANs can be mitigated through the use of self-supervision. We make two main contributions: first, we design a novel approach for training disentangled GANs with self-supervision. We propose contrastive regularizer, which is inspired by a natural notion of disentanglement: latent traversal. This achieves higher disentanglement scores than state-of-the-art VAE- and GAN-based approaches. Second, we propose an unsupervised model selection scheme called ModelCentrality, which uses generated synthetic samples to compute the medoid (multi-dimensional generalization of median) of a collection of models. The current common practice of hyper-parameter tuning requires using ground-truths samples, each labelled with known perfect disentangled latent codes. As real datasets are not equipped with such labels, we propose an unsupervised model selection scheme and show that it finds a model close to the best one, for both VAEs and GANs. Combining contrastive regularization with ModelCentrality, we improve upon the state-of-the-art disentanglement scores significantly, without accessing the supervised data.
Near-optimal Regret Bounds for Stochastic Shortest Path
Venue: Conference ICML 2020
Year: 2020

Stochastic shortest path (SSP) is a well-known problem in planning and control, in which an agent has to reach a goal state in minimum total expected cost. In the learning formulation of the problem, the agent is unaware of the environment dynamics (i.e., the transition function) and has to repeatedly play for a given number of episodes while reasoning about the problem's optimal solution. Unlike other well-studied models in reinforcement learning (RL), the length of an episode is not predetermined (or bounded) and is influenced by the agent's actions. Recently, Tarbouriech et al. (2019) studied this problem in the context of regret minimization and provided an algorithm whose regret bound is inversely proportional to the square root of the minimum instantaneous cost. In this work we remove this dependence on the minimum cost---we give an algorithm that guarantees a regret bound of $\widetilde{O}(B_\star |S| \sqrt{|A| K})$, where $B_\star$ is an upper bound on the expected cost of the optimal policy, $S$ is the set of states, $A$ is the set of actions and $K$ is the number of episodes. We additionally show that any learning algorithm must have at least $Ω(B_\star \sqrt{|S| |A| K})$ regret in the worst case.
High-dimensional Robust Mean Estimation via Gradient Descent
Venue: Conference ICML 2020
Year: 2020

We study the problem of high-dimensional robust mean estimation in the presence of a constant fraction of adversarial outliers. A recent line of work has provided sophisticated polynomial-time algorithms for this problem with dimension-independent error guarantees for a range of natural distribution families. In this work, we show that a natural non-convex formulation of the problem can be solved directly by gradient descent. Our approach leverages a novel structural lemma, roughly showing that any approximate stationary point of our non-convex objective gives a near-optimal solution to the underlying robust estimation task. Our work establishes an intriguing connection between algorithmic high-dimensional robust statistics and non-convex optimization, which may have broader applications to other robust estimation tasks.
Efficient Continuous Pareto Exploration in Multi-Task Learning
Venue: Conference ICML 2020
Year: 2020

Tasks in multi-task learning often correlate, conflict, or even compete with each other. As a result, a single solution that is optimal for all tasks rarely exists. Recent papers introduced the concept of Pareto optimality to this field and directly cast multi-task learning as multi-objective optimization problems, but solutions returned by existing methods are typically finite, sparse, and discrete. We present a novel, efficient method that generates locally continuous Pareto sets and Pareto fronts, which opens up the possibility of continuous analysis of Pareto optimal solutions in machine learning problems. We scale up theoretical results in multi-objective optimization to modern machine learning problems by proposing a sample-based sparse linear system, for which standard Hessian-free solvers in machine learning can be applied. We compare our method to the state-of-the-art algorithms and demonstrate its usage of analyzing local Pareto sets on various multi-task classification and regression problems. The experimental results confirm that our algorithm reveals the primary directions in local Pareto sets for trade-off balancing, finds more solutions with different trade-offs efficiently, and scales well to tasks with millions of parameters.
Second-Order Provable Defenses against Adversarial Attacks
Venue: Conference ICML 2020
Year: 2020

A robustness certificate is the minimum distance of a given input to the decision boundary of the classifier (or its lower bound). For {\it any} input perturbations with a magnitude smaller than the certificate value, the classification output will provably remain unchanged. Exactly computing the robustness certificates for neural networks is difficult since it requires solving a non-convex optimization. In this paper, we provide computationally-efficient robustness certificates for neural networks with differentiable activation functions in two steps. First, we show that if the eigenvalues of the Hessian of the network are bounded, we can compute a robustness certificate in the $l_2$ norm efficiently using convex optimization. Second, we derive a computationally-efficient differentiable upper bound on the curvature of a deep network. We also use the curvature bound as a regularization term during the training of the network to boost its certified robustness. Putting these results together leads to our proposed {\bf C}urvature-based {\bf R}obustness {\bf C}ertificate (CRC) and {\bf C}urvature-based {\bf R}obust {\bf T}raining (CRT). Our numerical results show that CRT leads to significantly higher certified robust accuracy compared to interval-bound propagation (IBP) based training. We achieve certified robust accuracy 69.79\%, 57.78\% and 53.19\% while IBP-based methods achieve 44.96\%, 44.74\% and 44.66\% on 2,3 and 4 layer networks respectively on the MNIST-dataset.
A Finite-Time Analysis of Q-Learning with Neural Network Function Approximation
Venue: Conference ICML 2020
Year: 2020

Q-learning with neural network function approximation (neural Q-learning for short) is among the most prevalent deep reinforcement learning algorithms. Despite its empirical success, the non-asymptotic convergence rate of neural Q-learning remains virtually unknown. In this paper, we present a finite-time analysis of a neural Q-learning algorithm, where the data are generated from a Markov decision process and the action-value function is approximated by a deep ReLU neural network. We prove that neural Q-learning finds the optimal policy with $O(1/\sqrt{T})$ convergence rate if the neural function approximator is sufficiently overparameterized, where $T$ is the number of iterations. To our best knowledge, our result is the first finite-time analysis of neural Q-learning under non-i.i.d. data assumption.