OpenRaiser/Intern-Atlas huggingface dataset:
Tight Regret Bounds for Model-Based Reinforcement Learning with Greedy Policies
Venue: Conference NeurIPS 2019
Year: 2019

State-of-the-art efficient model-based Reinforcement Learning (RL) algorithms typically act by iteratively solving empirical models, i.e., by performing \emph{full-planning} on Markov Decision Processes (MDPs) built by the gathered experience. In this paper, we focus on model-based RL in the finite-state finite-horizon MDP setting and establish that exploring with \emph{greedy policies} -- act by \emph{1-step planning} -- can achieve tight minimax performance in terms of regret, $\tilde{\mathcal{O}}(\sqrt{HSAT})$. Thus, full-planning in model-based RL can be avoided altogether without any performance degradation, and, by doing so, the computational complexity decreases by a factor of $S$. The results are based on a novel analysis of real-time dynamic programming, then extended to model-based RL. Specifically, we generalize existing algorithms that perform full-planning to such that act by 1-step planning. For these generalizations, we prove regret bounds with the same rate as their full-planning counterparts.
Random Quadratic Forms with Dependence: Applications to Restricted Isometry and Beyond
Venue: Conference NeurIPS 2019
Year: 2019

Several important families of computational and statistical results in machine learning and randomized algorithms rely on uniform bounds on quadratic forms of random vectors or matrices. Such results include the Johnson-Lindenstrauss (J-L) Lemma, the Restricted Isometry Property (RIP), randomized sketching algorithms, and approximate linear algebra. The existing results critically depend on statistical independence, e.g., independent entries for random vectors, independent rows for random matrices, etc., which prevent their usage in dependent or adaptive modeling settings. In this paper, we show that such independence is in fact not needed for such results which continue to hold under fairly general dependence structures. In particular, we present uniform bounds on random quadratic forms of stochastic processes which are conditionally independent and sub-Gaussian given another (latent) process. Our setup allows general dependencies of the stochastic process on the history of the latent process and the latent process to be influenced by realizations of the stochastic process. The results are thus applicable to adaptive modeling settings and also allows for sequential design of random vectors and matrices. We also discuss stochastic process based forms of J-L, RIP, and sketching, to illustrate the generality of the results.
Detecting Overfitting via Adversarial Examples
Venue: Conference NeurIPS 2019
Year: 2019

The repeated community-wide reuse of test sets in popular benchmark problems raises doubts about the credibility of reported test-error rates. Verifying whether a learned model is overfitted to a test set is challenging as independent test sets drawn from the same data distribution are usually unavailable, while other test sets may introduce a distribution shift. We propose a new hypothesis test that uses only the original test data to detect overfitting. It utilizes a new unbiased error estimate that is based on adversarial examples generated from the test data and importance weighting. Overfitting is detected if this error estimate is sufficiently different from the original test error rate. We develop a specialized variant of our test for multiclass image classification, and apply it to testing overfitting of recent models to the popular ImageNet benchmark. Our method correctly indicates overfitting of the trained model to the training set, but is not able to detect any overfitting to the test set, in line with other recent work on this topic.
Region-specific Diffeomorphic Metric Mapping
Venue: Conference NeurIPS 2019
Year: 2019

We introduce a region-specific diffeomorphic metric mapping (RDMM) registration approach. RDMM is non-parametric, estimating spatio-temporal velocity fields which parameterize the sought-for spatial transformation. Regularization of these velocity fields is necessary. However, while existing non-parametric registration approaches, e.g., the large displacement diffeomorphic metric mapping (LDDMM) model, use a fixed spatially-invariant regularization our model advects a spatially-varying regularizer with the estimated velocity field, thereby naturally attaching a spatio-temporal regularizer to deforming objects. We explore a family of RDMM registration approaches: 1) a registration model where regions with separate regularizations are pre-defined (e.g., in an atlas space), 2) a registration model where a general spatially-varying regularizer is estimated, and 3) a registration model where the spatially-varying regularizer is obtained via an end-to-end trained deep learning (DL) model. We provide a variational derivation of RDMM, show that the model can assure diffeomorphic transformations in the continuum, and that LDDMM is a particular instance of RDMM. To evaluate RDMM performance we experiment 1) on synthetic 2D data and 2) on two 3D datasets: knee magnetic resonance images (MRIs) of the Osteoarthritis Initiative (OAI) and computed tomography images (CT) of the lung. Results show that our framework achieves state-of-the-art image registration performance, while providing additional information via a learned spatio-temoporal regularizer. Further, our deep learning approach allows for very fast RDMM and LDDMM estimations. Our code will be open-sourced. Code is available at https://github.com/uncbiag/registration.
Teaching Multiple Concepts to a Forgetful Learner
Venue: Conference NeurIPS 2019
Year: 2019

How can we help a forgetful learner learn multiple concepts within a limited time frame? While there have been extensive studies in designing optimal schedules for teaching a single concept given a learner's memory model, existing approaches for teaching multiple concepts are typically based on heuristic scheduling techniques without theoretical guarantees. In this paper, we look at the problem from the perspective of discrete optimization and introduce a novel algorithmic framework for teaching multiple concepts with strong performance guarantees. Our framework is both generic, allowing the design of teaching schedules for different memory models, and also interactive, allowing the teacher to adapt the schedule to the underlying forgetting mechanisms of the learner. Furthermore, for a well-known memory model, we are able to identify a regime of model parameters where our framework is guaranteed to achieve high performance. We perform extensive evaluations using simulations along with real user studies in two concrete applications: (i) an educational app for online vocabulary teaching; and (ii) an app for teaching novices how to recognize animal species from images. Our results demonstrate the effectiveness of our algorithm compared to popular heuristic approaches.
Domain Generalization via Model-Agnostic Learning of Semantic Features
Venue: Conference NeurIPS 2019
Year: 2019

Generalization capability to unseen domains is crucial for machine learning models when deploying to real-world conditions. We investigate the challenging problem of domain generalization, i.e., training a model on multi-domain source data such that it can directly generalize to target domains with unknown statistics. We adopt a model-agnostic learning paradigm with gradient-based meta-train and meta-test procedures to expose the optimization to domain shift. Further, we introduce two complementary losses which explicitly regularize the semantic structure of the feature space. Globally, we align a derived soft confusion matrix to preserve general knowledge about inter-class relationships. Locally, we promote domain-independent class-specific cohesion and separation of sample features with a metric-learning component. The effectiveness of our method is demonstrated with new state-of-the-art results on two common object recognition benchmarks. Our method also shows consistent improvement on a medical image segmentation task.
Efficient Identification in Linear Structural Causal Models with Instrumental Cutsets
Venue: Conference NeurIPS 2019
Year: 2019

One of the most common mistakes made when performing data analysis is attributing causal meaning to regression coefficients. Formally, a causal effect can only be computed if it is identifiable from a combination of observational data and structural knowledge about the domain under investigation (Pearl, 2000, Ch. 5). Building on the literature of instrumental variables (IVs), a plethora of methods has been developed to identify causal effects in linear systems. Almost invariably, however, the most powerful such methods rely on exponential-time procedures. In this paper, we investigate graphical conditions to allow efficient identification in arbitrary linear structural causal models (SCMs). In particular, we develop a method to efficiently find unconditioned instrumental subsets, which are generalizations of IVs that can be used to tame the complexity of many canonical algorithms found in the literature. Further, we prove that determining whether an effect can be identified with TSID (Weihs et al., 2017), a method more powerful than unconditioned instrumental sets and other efficient identification algorithms, is NP-Complete. Finally, building on the idea of flow constraints, we introduce a new and efficient criterion called Instrumental Cutsets (IC), which is able to solve for parameters missed by all other existing polynomial-time algorithms.
Convolution with even-sized kernels and symmetric padding
Venue: Conference NeurIPS 2019
Year: 2019

Compact convolutional neural networks gain efficiency mainly through depthwise convolutions, expanded channels and complex topologies, which contrarily aggravate the training process. Besides, 3x3 kernels dominate the spatial representation in these models, whereas even-sized kernels (2x2, 4x4) are rarely adopted. In this work, we quantify the shift problem occurs in even-sized kernel convolutions by an information erosion hypothesis, and eliminate it by proposing symmetric padding on four sides of the feature maps (C2sp, C4sp). Symmetric padding releases the generalization capabilities of even-sized kernels at little computational cost, making them outperform 3x3 kernels in image classification and generation tasks. Moreover, C2sp obtains comparable accuracy to emerging compact models with much less memory and time consumption during training. Symmetric padding coupled with even-sized convolutions can be neatly implemented into existing frameworks, providing effective elements for architecture designs, especially on online and continual learning occasions where training efforts are emphasized.
Interval timing in deep reinforcement learning agents
Venue: Conference NeurIPS 2019
Year: 2019

The measurement of time is central to intelligent behavior. We know that both animals and artificial agents can successfully use temporal dependencies to select actions. In artificial agents, little work has directly addressed (1) which architectural components are necessary for successful development of this ability, (2) how this timing ability comes to be represented in the units and actions of the agent, and (3) whether the resulting behavior of the system converges on solutions similar to those of biology. Here we studied interval timing abilities in deep reinforcement learning agents trained end-to-end on an interval reproduction paradigm inspired by experimental literature on mechanisms of timing. We characterize the strategies developed by recurrent and feedforward agents, which both succeed at temporal reproduction using distinct mechanisms, some of which bear specific and intriguing similarities to biological systems. These findings advance our understanding of how agents come to represent time, and they highlight the value of experimentally inspired approaches to characterizing agent abilities.
Shaping Belief States with Generative Environment Models for RL
Venue: Conference NeurIPS 2019
Year: 2019

When agents interact with a complex environment, they must form and maintain beliefs about the relevant aspects of that environment. We propose a way to efficiently train expressive generative models in complex environments. We show that a predictive algorithm with an expressive generative model can form stable belief-states in visually rich and dynamic 3D environments. More precisely, we show that the learned representation captures the layout of the environment as well as the position and orientation of the agent. Our experiments show that the model substantially improves data-efficiency on a number of reinforcement learning (RL) tasks compared with strong model-free baseline agents. We find that predicting multiple steps into the future (overshooting), in combination with an expressive generative model, is critical for stable representations to emerge. In practice, using expressive generative models in RL is computationally expensive and we propose a scheme to reduce this computational burden, allowing us to build agents that are competitive with model-free baselines.
Uncertainty-based Continual Learning with Adaptive Regularization
Venue: Conference NeurIPS 2019
Year: 2019

We introduce a new neural network-based continual learning algorithm, dubbed as Uncertainty-regularized Continual Learning (UCL), which builds on traditional Bayesian online learning framework with variational inference. We focus on two significant drawbacks of the recently proposed regularization-based methods: a) considerable additional memory cost for determining the per-weight regularization strengths and b) the absence of gracefully forgetting scheme, which can prevent performance degradation in learning new tasks. In this paper, we show UCL can solve these two problems by introducing a fresh interpretation on the Kullback-Leibler (KL) divergence term of the variational lower bound for Gaussian mean-field approximation. Based on the interpretation, we propose the notion of node-wise uncertainty, which drastically reduces the number of additional parameters for implementing per-weight regularization. Moreover, we devise two additional regularization terms that enforce stability by freezing important parameters for past tasks and allow plasticity by controlling the actively learning parameters for a new task. Through extensive experiments, we show UCL convincingly outperforms most of recent state-of-the-art baselines not only on popular supervised learning benchmarks, but also on challenging lifelong reinforcement learning tasks. The source code of our algorithm is available at https://github.com/csm9493/UCL.
Implicit Posterior Variational Inference for Deep Gaussian Processes
Venue: Conference NeurIPS 2019
Year: 2019

A multi-layer deep Gaussian process (DGP) model is a hierarchical composition of GP models with a greater expressive power. Exact DGP inference is intractable, which has motivated the recent development of deterministic and stochastic approximation methods. Unfortunately, the deterministic approximation methods yield a biased posterior belief while the stochastic one is computationally costly. This paper presents an implicit posterior variational inference (IPVI) framework for DGPs that can ideally recover an unbiased posterior belief and still preserve time efficiency. Inspired by generative adversarial networks, our IPVI framework achieves this by casting the DGP inference problem as a two-player game in which a Nash equilibrium, interestingly, coincides with an unbiased posterior belief. This consequently inspires us to devise a best-response dynamics algorithm to search for a Nash equilibrium (i.e., an unbiased posterior belief). Empirical evaluation shows that IPVI outperforms the state-of-the-art approximation methods for DGPs.
Are Sixteen Heads Really Better than One?
Venue: Conference NeurIPS 2019
Year: 2019

Attention is a powerful and ubiquitous mechanism for allowing neural models to focus on particular salient pieces of information by taking their weighted average when making predictions. In particular, multi-headed attention is a driving force behind many recent state-of-the-art NLP models such as Transformer-based MT models and BERT. These models apply multiple attention mechanisms in parallel, with each attention "head" potentially focusing on different parts of the input, which makes it possible to express sophisticated functions beyond the simple weighted average. In this paper we make the surprising observation that even if models have been trained using multiple heads, in practice, a large percentage of attention heads can be removed at test time without significantly impacting performance. In fact, some layers can even be reduced to a single head. We further examine greedy algorithms for pruning down models, and the potential speed, memory efficiency, and accuracy improvements obtainable therefrom. Finally, we analyze the results with respect to which parts of the model are more reliant on having multiple heads, and provide precursory evidence that training dynamics play a role in the gains provided by multi-head attention.
Model Compression with Adversarial Robustness: A Unified Optimization Framework
Venue: Conference NeurIPS 2019
Year: 2019

Deep model compression has been extensively studied, and state-of-the-art methods can now achieve high compression ratios with minimal accuracy loss. This paper studies model compression through a different lens: could we compress models without hurting their robustness to adversarial attacks, in addition to maintaining accuracy? Previous literature suggested that the goals of robustness and compactness might sometimes contradict. We propose a novel Adversarially Trained Model Compression (ATMC) framework. ATMC constructs a unified constrained optimization formulation, where existing compression means (pruning, factorization, quantization) are all integrated into the constraints. An efficient algorithm is then developed. An extensive group of experiments are presented, demonstrating that ATMC obtains remarkably more favorable trade-off among model size, accuracy and robustness, over currently available alternatives in various settings. The codes are publicly available at: https://github.com/shupenggui/ATMC.
Subspace Attack: Exploiting Promising Subspaces for Query-Efficient Black-box Attacks
Venue: Conference NeurIPS 2019
Year: 2019

Unlike the white-box counterparts that are widely studied and readily accessible, adversarial examples in black-box settings are generally more Herculean on account of the difficulty of estimating gradients. Many methods achieve the task by issuing numerous queries to target classification systems, which makes the whole procedure costly and suspicious to the systems. In this paper, we aim at reducing the query complexity of black-box attacks in this category. We propose to exploit gradients of a few reference models which arguably span some promising search subspaces. Experimental results show that, in comparison with the state-of-the-arts, our method can gain up to 2x and 4x reductions in the requisite mean and medium numbers of queries with much lower failure rates even if the reference models are trained on a small and inadequate dataset disjoint to the one for training the victim model. Code and models for reproducing our results will be made publicly available.
Topology-Preserving Deep Image Segmentation
Venue: Conference NeurIPS 2019
Year: 2019

Segmentation algorithms are prone to make topological errors on fine-scale structures, e.g., broken connections. We propose a novel method that learns to segment with correct topology. In particular, we design a continuous-valued loss function that enforces a segmentation to have the same topology as the ground truth, i.e., having the same Betti number. The proposed topology-preserving loss function is differentiable and we incorporate it into end-to-end training of a deep neural network. Our method achieves much better performance on the Betti number error, which directly accounts for the topological correctness. It also performs superiorly on other topology-relevant metrics, e.g., the Adjusted Rand Index and the Variation of Information. We illustrate the effectiveness of the proposed method on a broad spectrum of natural and biomedical datasets.
Progressive Augmentation of GANs
Venue: Conference NeurIPS 2019
Year: 2019

Training of Generative Adversarial Networks (GANs) is notoriously fragile, requiring to maintain a careful balance between the generator and the discriminator in order to perform well. To mitigate this issue we introduce a new regularization technique - progressive augmentation of GANs (PA-GAN). The key idea is to gradually increase the task difficulty of the discriminator by progressively augmenting its input or feature space, thus enabling continuous learning of the generator. We show that the proposed progressive augmentation preserves the original GAN objective, does not compromise the discriminator's optimality and encourages a healthy competition between the generator and discriminator, leading to the better-performing generator. We experimentally demonstrate the effectiveness of PA-GAN across different architectures and on multiple benchmarks for the image synthesis task, on average achieving ~3 point improvement of the FID score.
Online sampling from log-concave distributions
Venue: Conference NeurIPS 2019
Year: 2019

Given a sequence of convex functions $f_0, f_1, \ldots, f_T$, we study the problem of sampling from the Gibbs distribution $π_t \propto e^{-\sum_{k=0}^tf_k}$ for each epoch $t$ in an online manner. Interest in this problem derives from applications in machine learning, Bayesian statistics, and optimization where, rather than obtaining all the observations at once, one constantly acquires new data, and must continuously update the distribution. Our main result is an algorithm that generates roughly independent samples from $π_t$ for every epoch $t$ and, under mild assumptions, makes $\mathrm{polylog}(T)$ gradient evaluations per epoch. All previous results imply a bound on the number of gradient or function evaluations which is at least linear in $T$. Motivated by real-world applications, we assume that functions are smooth, their associated distributions have a bounded second moment, and their minimizer drifts in a bounded manner, but do not assume they are strongly convex. In particular, our assumptions hold for online Bayesian logistic regression, when the data satisfy natural regularity properties, giving a sampling algorithm with updates that are poly-logarithmic in $T$. In simulations, our algorithm achieves accuracy comparable to an algorithm specialized to logistic regression. Key to our algorithm is a novel stochastic gradient Langevin dynamics Markov chain with a carefully designed variance reduction step and constant batch size. Technically, lack of strong convexity is a significant barrier to analysis and, here, our main contribution is a martingale exit time argument that shows our Markov chain remains in a ball of radius roughly poly-logarithmic in $T$ for enough time to reach within $\varepsilon$ of $π_t$.
Regret Bounds for Thompson Sampling in Episodic Restless Bandit Problems
Venue: Conference NeurIPS 2019
Year: 2019

Restless bandit problems are instances of non-stationary multi-armed bandits. These problems have been studied well from the optimization perspective, where the goal is to efficiently find a near-optimal policy when system parameters are known. However, very few papers adopt a learning perspective, where the parameters are unknown. In this paper, we analyze the performance of Thompson sampling in episodic restless bandits with unknown parameters. We consider a general policy map to define our competitor and prove an $\tilde{\mathcal{O}}(\sqrt{T})$ Bayesian regret bound. Our competitor is flexible enough to represent various benchmarks including the best fixed action policy, the optimal policy, the Whittle index policy, or the myopic policy. We also present empirical results that support our theoretical findings.