LGFeb 20, 2023
Deep Transformers without Shortcuts: Modifying Self-attention for Faithful Signal PropagationBobby He, James Martens, Guodong Zhang et al. · utoronto
Skip connections and normalisation layers form two standard architectural components that are ubiquitous for the training of Deep Neural Networks (DNNs), but whose precise roles are poorly understood. Recent approaches such as Deep Kernel Shaping have made progress towards reducing our reliance on them, using insights from wide NN kernel theory to improve signal propagation in vanilla DNNs (which we define as networks without skips or normalisation). However, these approaches are incompatible with the self-attention layers present in transformers, whose kernels are intrinsically more complicated to analyse and control. And so the question remains: is it possible to train deep vanilla transformers? We answer this question in the affirmative by designing several approaches that use combinations of parameter initialisations, bias matrices and location-dependent rescaling to achieve faithful signal propagation in vanilla transformers. Our methods address various intricacies specific to signal propagation in transformers, including the interaction with positional encoding and causal masking. In experiments on WikiText-103 and C4, our approaches enable deep transformers without normalisation to train at speeds matching their standard counterparts, and deep vanilla transformers to reach the same performance as standard ones after about 5 times more iterations.
LGMar 15, 2022
Deep Learning without Shortcuts: Shaping the Kernel with Tailored RectifiersGuodong Zhang, Aleksandar Botev, James Martens · utoronto
Training very deep neural networks is still an extremely challenging task. The common solution is to use shortcut connections and normalization layers, which are both crucial ingredients in the popular ResNet architecture. However, there is strong evidence to suggest that ResNets behave more like ensembles of shallower networks than truly deep ones. Recently, it was shown that deep vanilla networks (i.e. networks without normalization layers or shortcut connections) can be trained as fast as ResNets by applying certain transformations to their activation functions. However, this method (called Deep Kernel Shaping) isn't fully compatible with ReLUs, and produces networks that overfit significantly more than ResNets on ImageNet. In this work, we rectify this situation by developing a new type of transformation that is fully compatible with a variant of ReLUs -- Leaky ReLUs. We show in experiments that our method, which introduces negligible extra computational cost, achieves validation accuracies with deep vanilla networks that are competitive with ResNets (of the same width/depth), and significantly higher than those obtained with the Edge of Chaos (EOC) method. And unlike with EOC, the validation accuracies we obtain do not get worse with depth.
NADec 7, 2017
Numerical approximations of the Cahn-Hilliard and Allen-Cahn Equations with general nonlinear potential using the Invariant Energy Quadratization approachXiaofeng Yang, Guodong Zhang
In this paper, we carry out stability and error analyses for two first-order, semi-discrete time stepping schemes, which are based on the newly developed Invariant Energy Quadratization approach, for solving the well-known Cahn-Hilliard and Allen-Cahn equations with general nonlinear bulk potentials. Some reasonable sufficient conditions about boundedness and continuity of the nonlinear functional are given in order to obtain optimal error estimates. These conditions are naturally satisfied by two commonly used nonlinear potentials including the double-well potential and regularized logarithmic Flory-Huggins potential. The well-posedness, unconditional energy stabilities and optimal error estimates of the numerical schemes are proved rigorously.
NANov 27, 2017
Stability and convergence analysis of A linear, fully decoupled and unconditionally energy stable scheme for magneto-hydrodynamic equationsGuodong Zhang, Xiaoming He, Xiaofeng Yang
In this paper, we consider numerical approximations for solving the nonlinear magneto-hydrodynamical system, that couples the Navier-Stokes equations and Maxwell equations together. A challenging issue to solve this model numerically is about the time marching problem, i.e., how to develop suitable temporal discretizations for the nonlinear terms in order to preserve the energy stability at the discrete level. We solve this issue in this paper by developing a linear, fully decoupled, first order time-stepping scheme, by combining the projection method and some subtle implicit-explicit treatments for nonlinear coupling terms. We further prove that the scheme is unconditional energy stable and derive the optimal error estimates rigorously. Various numerical experiments are implemented to demonstrate the stability and the accuracy in simulating some benchmark simulations, including the Kelvin-Helmholtz shear instability and the magnetic-frozen phenomenon in the lid-driven cavity.
ROMay 1Code
Recovering Hidden Reward in Diffusion-Based PoliciesYanbiao Ji, Qiuchang Li, Yuting Hu et al.
This paper introduces EnergyFlow, a framework that unifies generative action modeling with inverse reinforcement learning by parameterizing a scalar energy function whose gradient is the denoising field. We establish that under maximum-entropy optimality, the score function learned via denoising score matching recovers the gradient of the expert's soft Q-function, enabling reward extraction without adversarial training. Formally, we prove that constraining the learned field to be conservative reduces hypothesis complexity and tightens out-of-distribution generalization bounds. We further characterize the identifiability of recovered rewards and bound how score estimation errors propagate to action preferences. Empirically, EnergyFlow achieves state-of-the-art imitation performance on various manipulation tasks while providing an effective reward signal for downstream reinforcement learning that outperforms both adversarial IRL methods and likelihood-based alternatives. These results show that the structural constraints required for valid reward extraction simultaneously serve as beneficial inductive biases for policy generalization. The code is available at https://github.com/sotaagi/EnergyFlow.
LGJul 3, 2019Code
Benchmarking Model-Based Reinforcement LearningTingwu Wang, Xuchan Bao, Ignasi Clavera et al.
Model-based reinforcement learning (MBRL) is widely seen as having the potential to be significantly more sample efficient than model-free RL. However, research in model-based RL has not been very standardized. It is fairly common for authors to experiment with self-designed environments, and there are several separate lines of research, which are sometimes closed-sourced or not reproducible. Accordingly, it is an open question how these various existing MBRL algorithms perform relative to each other. To facilitate research in MBRL, in this paper we gather a wide collection of MBRL algorithms and propose over 18 benchmarking environments specially designed for MBRL. We benchmark these algorithms with unified problem settings, including noisy environments. Beyond cataloguing performance, we explore and unify the underlying algorithmic differences across MBRL algorithms. We characterize three key research challenges for future MBRL research: the dynamics bottleneck, the planning horizon dilemma, and the early-termination dilemma. Finally, to maximally facilitate future research on MBRL, we open-source our benchmark in http://www.cs.toronto.edu/~tingwuwang/mbrl.html.
ITFeb 7, 2025
Generative Diffusion Model-based Compression of MIMO CSIHeasung Kim, Taekyun Lee, Hyeji Kim et al.
While neural lossy compression techniques have markedly advanced the efficiency of Channel State Information (CSI) compression and reconstruction for feedback in MIMO communications, efficient algorithms for more challenging and practical tasks-such as CSI compression for future channel prediction and reconstruction with relevant side information-remain underexplored, often resulting in suboptimal performance when existing methods are extended to these scenarios. To that end, we propose a novel framework for compression with side information, featuring an encoding process with fixed-rate compression using a trainable codebook for codeword quantization, and a decoding procedure modeled as a backward diffusion process conditioned on both the codeword and the side information. Experimental results show that our method significantly outperforms existing CSI compression algorithms, often yielding over twofold performance improvement by achieving comparable distortion at less than half the data rate of competing methods in certain scenarios. These findings underscore the potential of diffusion-based compression for practical deployment in communication systems.
ROOct 11, 2025
Dejavu: Post-Deployment Learning for Embodied Agents via Experience FeedbackShaokai Wu, Yanbiao Ji, Qiuchang Li et al.
Embodied agents face a fundamental limitation: once deployed in real-world environments to perform specific tasks, they are unable to acquire new useful knowledge to enhance task performance. In this paper, we propose a general post-deployment learning framework called Dejavu, which employs an Experience Feedback Network (EFN) and augments the frozen Vision-Language-Action (VLA) policy with retrieved execution memories. EFN automatically identifies contextually successful prior action experiences and conditions action prediction on this retrieved guidance. We adopt reinforcement learning with semantic similarity rewards on EFN to ensure that the predicted actions align with past successful behaviors under current observations. During deployment, EFN continually enriches its memory with new trajectories, enabling the agent to exhibit "learning from experience" despite fixed weights. Experiments across diverse embodied tasks show that EFN significantly improves adaptability, robustness, and success rates over frozen baselines. These results highlight a promising path toward embodied agents that continually refine their behavior after deployment.
CLDec 19, 2023
Gemini: A Family of Highly Capable Multimodal ModelsGemini Team, Rohan Anil, Sebastian Borgeaud et al.
This report introduces a new family of multimodal models, Gemini, that exhibit remarkable capabilities across image, audio, video, and text understanding. The Gemini family consists of Ultra, Pro, and Nano sizes, suitable for applications ranging from complex reasoning tasks to on-device memory-constrained use-cases. Evaluation on a broad range of benchmarks shows that our most-capable Gemini Ultra model advances the state of the art in 30 of 32 of these benchmarks - notably being the first model to achieve human-expert performance on the well-studied exam benchmark MMLU, and improving the state of the art in every one of the 20 multimodal benchmarks we examined. We believe that the new capabilities of the Gemini family in cross-modal reasoning and language understanding will enable a wide variety of use cases. We discuss our approach toward post-training and deploying Gemini models responsibly to users through services including Gemini, Gemini Advanced, Google AI Studio, and Cloud Vertex AI.
LGNov 3, 2021
On the Application of Data-Driven Deep Neural Networks in Linear and Nonlinear Structural DynamicsNan Feng, Guodong Zhang, Kapil Khandelwal
The use of deep neural network (DNN) models as surrogates for linear and nonlinear structural dynamical systems is explored. The goal is to develop DNN based surrogates to predict structural response, i.e., displacements and accelerations, for given input (harmonic) excitations. In particular, the focus is on the development of efficient network architectures using fully-connected, sparsely-connected, and convolutional network layers, and on the corresponding training strategies that can provide a balance between the overall network complexity and prediction accuracy in the target dataspaces. For linear dynamics, sparsity patterns of the weight matrix in the network layers are used to construct convolutional DNNs with sparse layers. For nonlinear dynamics, it is shown that sparsity in network layers is lost, and efficient DNNs architectures with fully-connected and convolutional network layers are explored. A transfer learning strategy is also introduced to successfully train the proposed DNNs, and various loading factors that influence the network architectures are studied. It is shown that the proposed DNNs can be used as effective and accurate surrogates for predicting linear and nonlinear dynamical responses under harmonic loadings.
LGAug 27, 2021
Learning to Give Checkable Answers with Prover-Verifier GamesCem Anil, Guodong Zhang, Yuhuai Wu et al.
Our ability to know when to trust the decisions made by machine learning systems has not kept up with the staggering improvements in their performance, limiting their applicability in high-stakes domains. We introduce Prover-Verifier Games (PVGs), a game-theoretic framework to encourage learning agents to solve decision problems in a verifiable manner. The PVG consists of two learners with competing objectives: a trusted verifier network tries to choose the correct answer, and a more powerful but untrusted prover network attempts to persuade the verifier of a particular answer, regardless of its correctness. The goal is for a reliable justification protocol to emerge from this game. We analyze variants of the framework, including simultaneous and sequential games, and narrow the space down to a subset of games which provably have the desired equilibria. We develop instantiations of the PVG for two algorithmic tasks, and show that in practice, the verifier learns a robust decision rule that is able to receive useful and reliable information from an untrusted prover. Importantly, the protocol still works even when the verifier is frozen and the prover's messages are directly optimized to convince the verifier.
MLJul 21, 2021
Differentiable Annealed Importance Sampling and the Perils of Gradient NoiseGuodong Zhang, Kyle Hsu, Jianing Li et al.
Annealed importance sampling (AIS) and related algorithms are highly effective tools for marginal likelihood estimation, but are not fully differentiable due to the use of Metropolis-Hastings correction steps. Differentiability is a desirable property as it would admit the possibility of optimizing marginal likelihood as an objective using gradient-based methods. To this end, we propose Differentiable AIS (DAIS), a variant of AIS which ensures differentiability by abandoning the Metropolis-Hastings corrections. As a further advantage, DAIS allows for mini-batch gradients. We provide a detailed convergence analysis for Bayesian linear regression which goes beyond previous analyses by explicitly accounting for the sampler not having reached equilibrium. Using this analysis, we prove that DAIS is consistent in the full-batch setting and provide a sublinear convergence rate. Furthermore, motivated by the problem of learning from large-scale datasets, we study a stochastic variant of DAIS that uses mini-batch gradients. Surprisingly, stochastic DAIS can be arbitrarily bad due to a fundamental incompatibility between the goals of last-iterate convergence to the posterior and elimination of the accumulated stochastic error. This is in stark contrast with other settings such as gradient-based optimization and Langevin dynamics, where the effect of gradient noise can be washed out by taking smaller steps. This indicates that annealing-based marginal likelihood estimation with stochastic gradients may require new ideas.
PRJun 10, 2021
A Central Limit Theorem, Loss Aversion and Multi-Armed BanditsZengjing Chen, Larry G. Epstein, Guodong Zhang
This paper studies a multi-armed bandit problem where the decision-maker is loss averse, in particular she is risk averse in the domain of gains and risk loving in the domain of losses. The focus is on large horizons. Consequences of loss aversion for asymptotic (large horizon) properties are derived in a number of analytical results. The analysis is based on a new central limit theorem for a set of measures under which conditional variances can vary in a largely unstructured history-dependent way subject only to the restriction that they lie in a fixed interval.
LGFeb 18, 2021
Near-optimal Local Convergence of Alternating Gradient Descent-Ascent for Minimax OptimizationGuodong Zhang, Yuanhao Wang, Laurent Lessard et al.
Smooth minimax games often proceed by simultaneous or alternating gradient updates. Although algorithms with alternating updates are commonly used in practice, the majority of existing theoretical analyses focus on simultaneous algorithms for convenience of analysis. In this paper, we study alternating gradient descent-ascent (Alt-GDA) in minimax games and show that Alt-GDA is superior to its simultaneous counterpart~(Sim-GDA) in many settings. We prove that Alt-GDA achieves a near-optimal local convergence rate for strongly convex-strongly concave (SCSC) problems while Sim-GDA converges at a much slower rate. To our knowledge, this is the \emph{first} result of any setting showing that Alt-GDA converges faster than Sim-GDA by more than a constant. We further adapt the theory of integral quadratic constraints (IQC) and show that Alt-GDA attains the same rate \emph{globally} for a subclass of SCSC minimax problems. Empirically, we demonstrate that alternating updates speed up GAN training significantly and the use of optimism only helps for simultaneous algorithms.
OCSep 23, 2020
A Unified Analysis of First-Order Methods for Smooth Games via Integral Quadratic ConstraintsGuodong Zhang, Xuchan Bao, Laurent Lessard et al.
The theory of integral quadratic constraints (IQCs) allows the certification of exponential convergence of interconnected systems containing nonlinear or uncertain elements. In this work, we adapt the IQC theory to study first-order methods for smooth and strongly-monotone games and show how to design tailored quadratic constraints to get tight upper bounds of convergence rates. Using this framework, we recover the existing bound for the gradient method~(GD), derive sharper bounds for the proximal point method~(PPM) and optimistic gradient method~(OG), and provide \emph{for the first time} a global convergence rate for the negative momentum method~(NM) with an iteration complexity $\mathcal{O}(κ^{1.5})$, which matches its known lower bound. In addition, for time-varying systems, we prove that the gradient method with optimal step size achieves the fastest provable worst-case convergence rate with quadratic Lyapunov functions. Finally, we further extend our analysis to stochastic games and study the impact of multiplicative noise on different algorithms. We show that it is impossible for an algorithm with one step of memory to achieve acceleration if it only queries the gradient once per batch (in contrast with the stochastic strongly-convex optimization setting, where such acceleration has been demonstrated). However, we exhibit an algorithm which achieves acceleration with two gradient queries per batch.
OCAug 17, 2020
On the Suboptimality of Negative Momentum for Minimax OptimizationGuodong Zhang, Yuanhao Wang
Smooth game optimization has recently attracted great interest in machine learning as it generalizes the single-objective optimization paradigm. However, game dynamics is more complex due to the interaction between different players and is therefore fundamentally different from minimization, posing new challenges for algorithm design. Notably, it has been shown that negative momentum is preferred due to its ability to reduce oscillation in game dynamics. Nevertheless, the convergence rate of negative momentum was only established in simple bilinear games. In this paper, we extend the analysis to smooth and strongly-convex strongly-concave minimax games by taking the variational inequality formulation. By connecting momentum method with Chebyshev polynomials, we show that negative momentum accelerates convergence of game dynamics locally, though with a suboptimal rate. To the best of our knowledge, this is the \emph{first work} that provides an explicit convergence rate for negative momentum in this setting.
LGFeb 18, 2020
Picking Winning Tickets Before Training by Preserving Gradient FlowChaoqi Wang, Guodong Zhang, Roger Grosse
Overparameterization has been shown to benefit both the optimization and generalization of neural networks, but large networks are resource hungry at both training and test time. Network pruning can reduce test-time resource requirements, but is typically applied to trained networks and therefore cannot avoid the expensive training process. We aim to prune networks at initialization, thereby saving resources at training time as well. Specifically, we argue that efficient training requires preserving the gradient flow through the network. This leads to a simple but effective pruning criterion we term Gradient Signal Preservation (GraSP). We empirically investigate the effectiveness of the proposed method with extensive experiments on CIFAR-10, CIFAR-100, Tiny-ImageNet and ImageNet, using VGGNet and ResNet architectures. Our method can prune 80% of the weights of a VGG-16 network on ImageNet at initialization, with only a 1.6% drop in top-1 accuracy. Moreover, our method achieves significantly better performance than the baseline at extreme sparsity levels.
LGOct 16, 2019
On Solving Minimax Optimization Locally: A Follow-the-Ridge ApproachYuanhao Wang, Guodong Zhang, Jimmy Ba
Many tasks in modern machine learning can be formulated as finding equilibria in \emph{sequential} games. In particular, two-player zero-sum sequential games, also known as minimax optimization, have received growing interest. It is tempting to apply gradient descent to solve minimax optimization given its popularity and success in supervised learning. However, it has been noted that naive application of gradient descent fails to find some local minimax and can converge to non-local-minimax points. In this paper, we propose \emph{Follow-the-Ridge} (FR), a novel algorithm that provably converges to and only converges to local minimax. We show theoretically that the algorithm addresses the notorious rotational behaviour of gradient dynamics, and is compatible with preconditioning and \emph{positive} momentum. Empirically, FR solves toy minimax problems and improves the convergence of GAN training compared to the recent minimax optimization algorithms.
LGJul 9, 2019
Which Algorithmic Choices Matter at Which Batch Sizes? Insights From a Noisy Quadratic ModelGuodong Zhang, Lala Li, Zachary Nado et al.
Increasing the batch size is a popular way to speed up neural network training, but beyond some critical batch size, larger batch sizes yield diminishing returns. In this work, we study how the critical batch size changes based on properties of the optimization algorithm, including acceleration and preconditioning, through two different lenses: large scale experiments, and analysis of a simple noisy quadratic model (NQM). We experimentally demonstrate that optimization algorithms that employ preconditioning, specifically Adam and K-FAC, result in much larger critical batch sizes than stochastic gradient descent with momentum. We also demonstrate that the NQM captures many of the essential features of real neural network training, despite being drastically simpler to work with. The NQM predicts our results with preconditioned optimizers, previous results with accelerated gradient descent, and other results around optimal learning rates and large batch training, making it a useful tool to generate testable predictions about neural network optimization.
MLMay 27, 2019
Fast Convergence of Natural Gradient Descent for Overparameterized Neural NetworksGuodong Zhang, James Martens, Roger Grosse
Natural gradient descent has proven effective at mitigating the effects of pathological curvature in neural network optimization, but little is known theoretically about its convergence properties, especially for \emph{nonlinear} networks. In this work, we analyze for the first time the speed of convergence of natural gradient descent on nonlinear neural networks with squared-error loss. We identify two conditions which guarantee efficient convergence from random initializations: (1) the Jacobian matrix (of network's output for all training cases with respect to the parameters) has full row rank, and (2) the Jacobian matrix is stable for small perturbations around the initialization. For two-layer ReLU neural networks, we prove that these two conditions do in fact hold throughout the training, under the assumptions of nondegenerate inputs and overparameterization. We further extend our analysis to more general loss functions. Lastly, we show that K-FAC, an approximate natural gradient descent method, also converges to global minima under the same assumptions, and we give a bound on the rate of this convergence.
LGMay 15, 2019
EigenDamage: Structured Pruning in the Kronecker-Factored EigenbasisChaoqi Wang, Roger Grosse, Sanja Fidler et al.
Reducing the test time resource requirements of a neural network while preserving test accuracy is crucial for running inference on resource-constrained devices. To achieve this goal, we introduce a novel network reparameterization based on the Kronecker-factored eigenbasis (KFE), and then apply Hessian-based structured pruning methods in this basis. As opposed to existing Hessian-based pruning algorithms which do pruning in parameter coordinates, our method works in the KFE where different weights are approximately independent, enabling accurate pruning and fast computation. We demonstrate empirically the effectiveness of the proposed method through extensive experiments. In particular, we highlight that the improvements are especially significant for more challenging datasets and networks. With negligible loss of accuracy, an iterative-pruning version gives a 10$\times$ reduction in model size and a 8$\times$ reduction in FLOPs on wide ResNet32.
LGMar 14, 2019
Functional Variational Bayesian Neural NetworksShengyang Sun, Guodong Zhang, Jiaxin Shi et al.
Variational Bayesian neural networks (BNNs) perform variational inference over weights, but it is difficult to specify meaningful priors and approximate posteriors in a high-dimensional weight space. We introduce functional variational Bayesian neural networks (fBNNs), which maximize an Evidence Lower BOund (ELBO) defined directly on stochastic processes, i.e. distributions over functions. We prove that the KL divergence between stochastic processes equals the supremum of marginal KL divergences over all finite sets of inputs. Based on this, we introduce a practical training objective which approximates the functional ELBO using finite measurement sets and the spectral Stein gradient estimator. With fBNNs, we can specify priors entailing rich structures, including Gaussian processes and implicit stochastic processes. Empirically, we find fBNNs extrapolate well using various structured priors, provide reliable uncertainty estimates, and scale to large datasets.
LGFeb 21, 2019
An Empirical Study of Large-Batch Stochastic Gradient Descent with Structured Covariance NoiseYeming Wen, Kevin Luk, Maxime Gazeau et al.
The choice of batch-size in a stochastic optimization algorithm plays a substantial role for both optimization and generalization. Increasing the batch-size used typically improves optimization but degrades generalization. To address the problem of improving generalization while maintaining optimal convergence in large-batch training, we propose to add covariance noise to the gradients. We demonstrate that the learning performance of our method is more accurately captured by the structure of the covariance matrix of the noise rather than by the variance of gradients. Moreover, over the convex-quadratic, we prove in theory that it can be characterized by the Frobenius norm of the noise matrix. Our empirical studies with standard deep learning model-architectures and datasets shows that our method not only improves generalization performance in large-batch training, but furthermore, does so in a way where the optimization performance remains desirable and the training duration is not elongated.
LGNov 30, 2018
Eigenvalue Corrected Noisy Natural GradientJuhan Bae, Guodong Zhang, Roger Grosse
Variational Bayesian neural networks combine the flexibility of deep learning with Bayesian uncertainty estimation. However, inference procedures for flexible variational posteriors are computationally expensive. A recently proposed method, noisy natural gradient, is a surprisingly simple method to fit expressive posteriors by adding weight noise to regular natural gradient updates. Noisy K-FAC is an instance of noisy natural gradient that fits a matrix-variate Gaussian posterior with minor changes to ordinary K-FAC. Nevertheless, a matrix-variate Gaussian posterior does not capture an accurate diagonal variance. In this work, we extend on noisy K-FAC to obtain a more flexible posterior distribution called eigenvalue corrected matrix-variate Gaussian. The proposed method computes the full diagonal re-scaling factor in Kronecker-factored eigenbasis. Empirically, our approach consistently outperforms existing algorithms (e.g., noisy K-FAC) on regression and classification tasks.
LGOct 29, 2018
Three Mechanisms of Weight Decay RegularizationGuodong Zhang, Chaoqi Wang, Bowen Xu et al.
Weight decay is one of the standard tricks in the neural network toolbox, but the reasons for its regularization effect are poorly understood, and recent results have cast doubt on the traditional interpretation in terms of $L_2$ regularization. Literal weight decay has been shown to outperform $L_2$ regularization for optimizers for which they differ. We empirically investigate weight decay for three optimization algorithms (SGD, Adam, and K-FAC) and a variety of network architectures. We identify three distinct mechanisms by which weight decay exerts a regularization effect, depending on the particular optimization algorithm and architecture: (1) increasing the effective learning rate, (2) approximately regularizing the input-output Jacobian norm, and (3) reducing the effective damping coefficient for second-order optimization. Our results provide insight into how to improve the regularization of neural networks.
LGJun 12, 2018
Differentiable Compositional Kernel Learning for Gaussian ProcessesShengyang Sun, Guodong Zhang, Chaoqi Wang et al.
The generalization properties of Gaussian processes depend heavily on the choice of kernel, and this choice remains a dark art. We present the Neural Kernel Network (NKN), a flexible family of kernels represented by a neural network. The NKN architecture is based on the composition rules for kernels, so that each unit of the network corresponds to a valid kernel. It can compactly approximate compositional kernel structures such as those used by the Automatic Statistician (Lloyd et al., 2014), but because the architecture is differentiable, it is end-to-end trainable with gradient-based optimization. We show that the NKN is universal for the class of stationary kernels. Empirically we demonstrate pattern discovery and extrapolation abilities of NKN on several tasks that depend crucially on identifying the underlying structure, including time series and texture extrapolation, as well as Bayesian optimization.
LGDec 6, 2017
Noisy Natural Gradient as Variational InferenceGuodong Zhang, Shengyang Sun, David Duvenaud et al.
Variational Bayesian neural nets combine the flexibility of deep learning with Bayesian uncertainty estimation. Unfortunately, there is a tradeoff between cheap but simple variational families (e.g.~fully factorized) or expensive and complicated inference procedures. We show that natural gradient ascent with adaptive weight noise implicitly fits a variational posterior to maximize the evidence lower bound (ELBO). This insight allows us to train full-covariance, fully factorized, or matrix-variate Gaussian variational posteriors using noisy versions of natural gradient, Adam, and K-FAC, respectively, making it possible to scale up to modern-size ConvNets. On standard regression benchmarks, our noisy K-FAC algorithm makes better predictions and matches Hamiltonian Monte Carlo's predictive variances better than existing methods. Its improved uncertainty estimates lead to more efficient exploration in active learning, and intrinsic motivation for reinforcement learning.
CVMar 17, 2017
Deformable Convolutional NetworksJifeng Dai, Haozhi Qi, Yuwen Xiong et al.
Convolutional neural networks (CNNs) are inherently limited to model geometric transformations due to the fixed geometric structures in its building modules. In this work, we introduce two new modules to enhance the transformation modeling capacity of CNNs, namely, deformable convolution and deformable RoI pooling. Both are based on the idea of augmenting the spatial sampling locations in the modules with additional offsets and learning the offsets from target tasks, without additional supervision. The new modules can readily replace their plain counterparts in existing CNNs and can be easily trained end-to-end by standard back-propagation, giving rise to deformable convolutional networks. Extensive experiments validate the effectiveness of our approach on sophisticated vision tasks of object detection and semantic segmentation. The code would be released.
NAAug 10, 2016
Error estimates for structure-preserving discretization of the incompressible MHD systemYicong Ma, Jinchao Xu, Guodong Zhang
In this paper, we carry out the error analysis for the structure-preserving discretization of the incompressible MHD system. This system, as a coupled system of Navier-Stokes equations and Maxwell's equations, is nonlinear. We use its energy estimate and the underlying physical structure to facilitate the error analysis. Under certain CFL conditions, we prove the optimal order of convergence. To support the theoretical results, we also present numerical tests.