Deep neural networks obtained by standard training have been constantly plagued by adversarial examples. Although adversarial training demonstrates its capability to defend against adversarial examples, unfortunately, it leads to an inevitable drop in the natural generalization. To address the issue, we decouple the natural generalization and the robust generalization from joint training and formulate different training strategies for each one. Specifically, instead of minimizing a global loss on the expectation over these two generalization errors, we propose a bi-expert framework called \emph{Generalist} where we simultaneously train base learners with task-aware strategies so that they can specialize in their own fields. The parameters of base learners are collected and combined to form a global learner at intervals during the training process. The global learner is then distributed to the base learners as initialized parameters for continued training. Theoretically, we prove that the risks of Generalist will get lower once the base learners are well trained. Extensive experiments verify the applicability of Generalist to achieve high accuracy on natural examples while maintaining considerable robustness to adversarial ones. Code is available at //github.com/PKU-ML/Generalist.
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3D convolutions are commonly employed by demosaicking neural models, in the same way as solving other image restoration problems. Counter-intuitively, we show that 3D convolutions implicitly impede the RGB color spectra from exchanging complementary information, resulting in spectral-inconsistent inference of the local spatial high frequency components. As a consequence, shallow 3D convolution networks suffer the Moir\'e artifacts, but deep 3D convolutions cause over-smoothness. We analyze the fundamental difference between demosaicking and other problems that predict lost pixels between available ones (e.g., super-resolution reconstruction), and present the underlying reasons for the confliction between Moir\'e-free and detail-preserving. From the new perspective, our work decouples the common standard convolution procedure to spectral and spatial feature aggregations, which allow strengthening global communication in the spectral dimension while respecting local contrast in the spatial dimension. We apply our demosaicking model to two tasks: Joint Demosaicking-Denoising and Independently Demosaicking. In both applications, our model substantially alleviates artifacts such as Moir\'e and over-smoothness at similar or lower computational cost to currently top-performing models, as validated by diverse evaluations. Source code will be released along with paper publication.
Communication compression is an essential strategy for alleviating communication overhead by reducing the volume of information exchanged between computing nodes in large-scale distributed stochastic optimization. Although numerous algorithms with convergence guarantees have been obtained, the optimal performance limit under communication compression remains unclear. In this paper, we investigate the performance limit of distributed stochastic optimization algorithms employing communication compression. We focus on two main types of compressors, unbiased and contractive, and address the best-possible convergence rates one can obtain with these compressors. We establish the lower bounds for the convergence rates of distributed stochastic optimization in six different settings, combining strongly-convex, generally-convex, or non-convex functions with unbiased or contractive compressor types. To bridge the gap between lower bounds and existing algorithms' rates, we propose NEOLITHIC, a nearly optimal algorithm with compression that achieves the established lower bounds up to logarithmic factors under mild conditions. Extensive experimental results support our theoretical findings. This work provides insights into the theoretical limitations of existing compressors and motivates further research into fundamentally new compressor properties.
Attention-based graph neural networks (GNNs), such as graph attention networks (GATs), have become popular neural architectures for processing graph-structured data and learning node embeddings. Despite their empirical success, these models rely on labeled data and the theoretical properties of these models have yet to be fully understood. In this work, we propose a novel attention-based node embedding framework for graphs. Our framework builds upon a hierarchical kernel for multisets of subgraphs around nodes (e.g. neighborhoods) and each kernel leverages the geometry of a smooth statistical manifold to compare pairs of multisets, by "projecting" the multisets onto the manifold. By explicitly computing node embeddings with a manifold of Gaussian mixtures, our method leads to a new attention mechanism for neighborhood aggregation. We provide theoretical insights into genralizability and expressivity of our embeddings, contributing to a deeper understanding of attention-based GNNs. We propose efficient unsupervised and supervised methods for learning the embeddings, with the unsupervised method not requiring any labeled data. Through experiments on several node classification benchmarks, we demonstrate that our proposed method outperforms existing attention-based graph models like GATs. Our code is available at //github.com/BorgwardtLab/fisher_information_embedding.
In recent years, different types of distributed learning schemes have received increasing attention for their strong advantages in handling large-scale data information. In the information era, to face the big data challenges which stem from functional data analysis very recently, we propose a novel distributed gradient descent functional learning (DGDFL) algorithm to tackle functional data across numerous local machines (processors) in the framework of reproducing kernel Hilbert space. Based on integral operator approaches, we provide the first theoretical understanding of the DGDFL algorithm in many different aspects in the literature. On the way of understanding DGDFL, firstly, a data-based gradient descent functional learning (GDFL) algorithm associated with a single-machine model is proposed and comprehensively studied. Under mild conditions, confidence-based optimal learning rates of DGDFL are obtained without the saturation boundary on the regularity index suffered in previous works in functional regression. We further provide a semi-supervised DGDFL approach to weaken the restriction on the maximal number of local machines to ensure optimal rates. To our best knowledge, the DGDFL provides the first distributed iterative training approach to functional learning and enriches the stage of functional data analysis.
Random smoothing data augmentation is a unique form of regularization that can prevent overfitting by introducing noise to the input data, encouraging the model to learn more generalized features. Despite its success in various applications, there has been a lack of systematic study on the regularization ability of random smoothing. In this paper, we aim to bridge this gap by presenting a framework for random smoothing regularization that can adaptively and effectively learn a wide range of ground truth functions belonging to the classical Sobolev spaces. Specifically, we investigate two underlying function spaces: the Sobolev space of low intrinsic dimension, which includes the Sobolev space in $D$-dimensional Euclidean space or low-dimensional sub-manifolds as special cases, and the mixed smooth Sobolev space with a tensor structure. By using random smoothing regularization as novel convolution-based smoothing kernels, we can attain optimal convergence rates in these cases using a kernel gradient descent algorithm, either with early stopping or weight decay. It is noteworthy that our estimator can adapt to the structural assumptions of the underlying data and avoid the curse of dimensionality. This is achieved through various choices of injected noise distributions such as Gaussian, Laplace, or general polynomial noises, allowing for broad adaptation to the aforementioned structural assumptions of the underlying data. The convergence rate depends only on the effective dimension, which may be significantly smaller than the actual data dimension. We conduct numerical experiments on simulated data to validate our theoretical results.
Reinforcement Learning (RL) algorithms are known to scale poorly to environments with many available actions, requiring numerous samples to learn an optimal policy. The traditional approach of considering the same fixed action space in every possible state implies that the agent must understand, while also learning to maximize its reward, to ignore irrelevant actions such as $\textit{inapplicable actions}$ (i.e. actions that have no effect on the environment when performed in a given state). Knowing this information can help reduce the sample complexity of RL algorithms by masking the inapplicable actions from the policy distribution to only explore actions relevant to finding an optimal policy. While this technique has been formalized for quite some time within the Automated Planning community with the concept of precondition in the STRIPS language, RL algorithms have never formally taken advantage of this information to prune the search space to explore. This is typically done in an ad-hoc manner with hand-crafted domain logic added to the RL algorithm. In this paper, we propose a more systematic approach to introduce this knowledge into the algorithm. We (i) standardize the way knowledge can be manually specified to the agent; and (ii) present a new framework to autonomously learn the partial action model encapsulating the precondition of an action jointly with the policy. We show experimentally that learning inapplicable actions greatly improves the sample efficiency of the algorithm by providing a reliable signal to mask out irrelevant actions. Moreover, we demonstrate that thanks to the transferability of the knowledge acquired, it can be reused in other tasks and domains to make the learning process more efficient.
Continuous-time models such as Neural ODEs and Neural Flows have shown promising results in analyzing irregularly sampled time series frequently encountered in electronic health records. Based on these models, time series are typically processed with a hybrid of an initial value problem (IVP) solver and a recurrent neural network within the variational autoencoder architecture. Sequentially solving IVPs makes such models computationally less efficient. In this paper, we propose to model time series purely with continuous processes whose state evolution can be approximated directly by IVPs. This eliminates the need for recurrent computation and enables multiple states to evolve in parallel. We further fuse the encoder and decoder with one IVP solver based on its invertibility, which leads to fewer parameters and faster convergence. Experiments on three real-world datasets show that the proposed approach achieves comparable extrapolation and classification performance while gaining more than one order of magnitude speedup over other continuous-time counterparts.
High-dimensional linear regression under heavy-tailed noise or outlier corruption is challenging, both computationally and statistically. Convex approaches have been proven statistically optimal but suffer from high computational costs, especially since the robust loss functions are usually non-smooth. More recently, computationally fast non-convex approaches via sub-gradient descent are proposed, which, unfortunately, fail to deliver a statistically consistent estimator even under sub-Gaussian noise. In this paper, we introduce a projected sub-gradient descent algorithm for both the sparse linear regression and low-rank linear regression problems. The algorithm is not only computationally efficient with linear convergence but also statistically optimal, be the noise Gaussian or heavy-tailed with a finite 1 + epsilon moment. The convergence theory is established for a general framework and its specific applications to absolute loss, Huber loss and quantile loss are investigated. Compared with existing non-convex methods, ours reveals a surprising phenomenon of two-phase convergence. In phase one, the algorithm behaves as in typical non-smooth optimization that requires gradually decaying stepsizes. However, phase one only delivers a statistically sub-optimal estimator, which is already observed in the existing literature. Interestingly, during phase two, the algorithm converges linearly as if minimizing a smooth and strongly convex objective function, and thus a constant stepsize suffices. Underlying the phase-two convergence is the smoothing effect of random noise to the non-smooth robust losses in an area close but not too close to the truth. Numerical simulations confirm our theoretical discovery and showcase the superiority of our algorithm over prior methods.
The combination of Reinforcement Learning (RL) with deep learning has led to a series of impressive feats, with many believing (deep) RL provides a path towards generally capable agents. However, the success of RL agents is often highly sensitive to design choices in the training process, which may require tedious and error-prone manual tuning. This makes it challenging to use RL for new problems, while also limits its full potential. In many other areas of machine learning, AutoML has shown it is possible to automate such design choices and has also yielded promising initial results when applied to RL. However, Automated Reinforcement Learning (AutoRL) involves not only standard applications of AutoML but also includes additional challenges unique to RL, that naturally produce a different set of methods. As such, AutoRL has been emerging as an important area of research in RL, providing promise in a variety of applications from RNA design to playing games such as Go. Given the diversity of methods and environments considered in RL, much of the research has been conducted in distinct subfields, ranging from meta-learning to evolution. In this survey we seek to unify the field of AutoRL, we provide a common taxonomy, discuss each area in detail and pose open problems which would be of interest to researchers going forward.
Sampling methods (e.g., node-wise, layer-wise, or subgraph) has become an indispensable strategy to speed up training large-scale Graph Neural Networks (GNNs). However, existing sampling methods are mostly based on the graph structural information and ignore the dynamicity of optimization, which leads to high variance in estimating the stochastic gradients. The high variance issue can be very pronounced in extremely large graphs, where it results in slow convergence and poor generalization. In this paper, we theoretically analyze the variance of sampling methods and show that, due to the composite structure of empirical risk, the variance of any sampling method can be decomposed into \textit{embedding approximation variance} in the forward stage and \textit{stochastic gradient variance} in the backward stage that necessities mitigating both types of variance to obtain faster convergence rate. We propose a decoupled variance reduction strategy that employs (approximate) gradient information to adaptively sample nodes with minimal variance, and explicitly reduces the variance introduced by embedding approximation. We show theoretically and empirically that the proposed method, even with smaller mini-batch sizes, enjoys a faster convergence rate and entails a better generalization compared to the existing methods.
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