AI Lab, School of Engineering, Westlake University（西湖大学工程学院人工智能实验室）；Institute of Advanced Technology, Westlake Institute for Advanced Study（西湖高等研究院先进技术研究所）
We propose a novel framework, called Markov-Lipschitz deep learning (MLDL), to tackle geometric deterioration caused by collapse, twisting, or crossing in vector-based neural network transformations for manifold-based representation learning and manifold data generation. A prior constraint, called locally isometric smoothness (LIS), is imposed across-layers and encoded into a Markov random field (MRF)-Gibbs distribution. This leads to the best possible solutions for local geometry preservation and robustness as measured by locally geometric distortion and locally bi-Lipschitz continuity. Consequently, the layer-wise vector transformations are enhanced into well-behaved, LIS-constrained metric homeomorphisms. Extensive experiments, comparisons, and ablation study demonstrate significant advantages of MLDL for manifold learning and manifold data generation. MLDL is general enough to enhance any vector transformation-based networks. The code is available at https://github.com/westlake-cairi/Markov-Lipschitz-Deep-Learning.
Lipschitz Continuity in Deep Learning: A Systematic Review of Theoretical Foundations, Estimation Methods, Regularization Approaches, and Certifiable Robustness
Research Ireland – Centre for Research Training in AI (CRT-AI)（爱尔兰研究机构——人工智能研究培训中心（CRT-AI））；J.E. Cairnes School of Business & Economics（J.E. Cairnes 商学院）；School of Computer Science（计算机科学学院）；University of Galway, Ireland（爱尔兰Galway大学）
We investigate robustness of deep feed-forward neural networks when input data are subject to random uncertainties. More specifically, we consider regularization of the network by its Lipschitz constant and emphasize its role. We highlight the fact that this regularization is not only a way to control the magnitude of the weights but has also a coupling effect on the network weights accross the layers. We claim and show evidence on a dataset that this coupling effect brings a tradeoff between robustness and expressiveness of the network. This suggests that Lipschitz regularization should be ca…
Technion - Israel Institute of Technology（以色列理工学院）
Deep neural networks are considered to be state of the art models in many offline machine learning tasks. However, their performance and generalization abilities in online learning tasks are much less understood. Therefore, we focus on online learning and tackle the challenging problem where the underlying process is stationary and ergodic and thus removing the i.i.d. assumption and allowing observations to depend on each other arbitrarily. We prove the generalization abilities of Lipschitz regularized deep neural networks and show that by using those networks, a convergence to the best possib…
Attention based neural networks are state of the art in a large range of applications. However, their performance tends to degrade when the number of layers increases. In this work, we show that enforcing Lipschitz continuity by normalizing the attention scores can significantly improve the performance of deep attention models. First, we show that, for deep graph attention networks (GAT), gradient explosion appears during training, leading to poor performance of gradient-based training algorithms. To address this issue, we derive a theoretical analysis of the Lipschitz continuity of attention …
Deep neural networks are notorious for being sensitive to small well-chosen perturbations, and estimating the regularity of such architectures is of utmost importance for safe and robust practical applications. In this paper, we investigate one of the key characteristics to assess the regularity of such methods: the Lipschitz constant of deep learning architectures. First, we show that, even for two layer neural networks, the exact computation of this quantity is NP-hard and state-of-art methods may significantly overestimate it. Then, we both extend and improve previous estimation methods by …
The Lipschitz constant is an important quantity that arises in analysing the convergence of gradient-based optimization methods. It is generally unclear how to estimate the Lipschitz constant of a complex model. Thus, this paper studies an important problem that may be useful to the broader area of non-convex optimization. The main result provides a local upper bound on the Lipschitz constants of a multi-layer feed-forward neural network and its gradient. Moreover, lower bounds are established as well, which are used to show that it is impossible to derive global upper bounds for the Lipschitz…
The Australian National University（澳大利亚国立大学）；Data 61；Google Brain（谷歌大脑）；The University of Illinois at Chicago（伊利诺伊大学芝加哥分校）；The University of Sydney（悉尼大学）
Robust risk minimisation has several advantages: it has been studied with regards to improving the generalisation properties of models and robustness to adversarial perturbation. We bound the distributionally robust risk for a model class rich enough to include deep neural networks by a regularised empirical risk involving the Lipschitz constant of the model. This allows us to interpretand quantify the robustness properties of a deep neural network. As an application we show the distributionally robust risk upperbounds the adversarial training risk.
Existing Rademacher complexity bounds for neural networks rely only on norm control of the weight matrices and depend exponentially on depth via a product of the matrix norms. Lower bounds show that this exponential dependence on depth is unavoidable when no additional properties of the training data are considered. We suspect that this conundrum comes from the fact that these bounds depend on the training data only through the margin. In practice, many data-dependent techniques such as Batchnorm improve the generalization performance. For feedforward neural nets as well as RNNs, we obtain tig…
McGill University（麦吉尔大学）；University of Minnesota（明尼苏达大学）
In this work we study input gradient regularization of deep neural networks, and demonstrate that such regularization leads to generalization proofs and improved adversarial robustness. The proof of generalization does not overcome the curse of dimensionality, but it is independent of the number of layers in the networks. The adversarial robustness regularization combines adversarial training, which we show to be equivalent to Total Variation regularization, with Lipschitz regularization. We demonstrate empirically that the regularized models are more robust, and that gradient norms of images …
Qualcomm AI Research（高通人工智能研究院）；UC Irvine（加州大学欧文分校）
ShuffleNet is a state-of-the-art light weight convolutional neural network architecture. Its basic operations include group, channel-wise convolution and channel shuffling. However, channel shuffling is manually designed empirically. Mathematically, shuffling is a multiplication by a permutation matrix. In this paper, we propose to automate channel shuffling by learning permutation matrices in network training. We introduce an exact Lipschitz continuous non-convex penalty so that it can be incorporated in the stochastic gradient descent to approximate permutation at high precision. Exact permu…
Tight estimation of the Lipschitz constant for deep neural networks (DNNs) is useful in many applications ranging from robustness certification of classifiers to stability analysis of closed-loop systems with reinforcement learning controllers. Existing methods in the literature for estimating the Lipschitz constant suffer from either lack of accuracy or poor scalability. In this paper, we present a convex optimization framework to compute guaranteed upper bounds on the Lipschitz constant of DNNs both accurately and efficiently. Our main idea is to interpret activation functions as gradients o…
High sensitivity of neural networks against malicious perturbations on inputs causes security concerns. To take a steady step towards robust classifiers, we aim to create neural network models provably defended from perturbations. Prior certification work requires strong assumptions on network structures and massive computational costs, and thus the range of their applications was limited. From the relationship between the Lipschitz constants and prediction margins, we present a computationally efficient calculation technique to lower-bound the size of adversarial perturbations that can deceiv…
École Polytechnique Fédérale de Lausanne (EPFL)（洛桑联邦理工学院）
Lipschitz-constrained neural networks have many applications in machine learning. Since designing and training expressive Lipschitz-constrained networks is very challenging, there is a need for improved methods and a better theoretical understanding. Unfortunately, it turns out that ReLU networks have provable disadvantages in this setting. Hence, we propose to use learnable spline activation functions with at least 3 linear regions instead. We prove that this choice is optimal among all component-wise $1$-Lipschitz activation functions in the sense that no other weight constrained architectur…
Deargen Inc.（Deargen 公司）；Deargen USA Inc.（Deargen 美国公司）
The Evidential regression network (ENet) estimates a continuous target and its predictive uncertainty without costly Bayesian model averaging. However, it is possible that the target is inaccurately predicted due to the gradient shrinkage problem of the original loss function of the ENet, the negative log marginal likelihood (NLL) loss. In this paper, the objective is to improve the prediction accuracy of the ENet while maintaining its efficient uncertainty estimation by resolving the gradient shrinkage problem. A multi-task learning (MTL) framework, referred to as MT-ENet, is proposed to acco…
LiD-GLM: Lipschitz-constrained Deep Generalized Linear Models
Competence Center for Clinical Trials Bremen（不来梅临床研究能力中心）；University of Bremen（不来梅大学）；Leibniz Institute for Prevention Research and Epidemiology – BIPS（莱布尼茨预防研究与流行病学研究所——BIPS）
LDLT $\mathcal{L}$-Lipschitz Network: Generalized Deep End-To-End Lipschitz Network Construction
The Grainger College of Engineering, Industrial and Enterprise Systems Engineering Department University of Illinois Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校格拉inger工程学院）；Construction Engineering Research Laboratory U.S. Army Corps of Engineers Engineering Research and Development Center（美国陆军工程兵团工程研究与发展中心施工工程研究实验室）
University of Toronto（多伦多大学）；Vector Institute for Artificial Intelligence（向量人工智能研究所）
Deep neural networks (DNNs) have emerged as a popular mathematical tool for function approximation due to their capability of modelling highly nonlinear functions. Their applications range from image classification and natural language processing to learning-based control. Despite their empirical successes, there is still a lack of theoretical understanding of the representative power of such deep architectures. In this work, we provide a theoretical analysis of the expressiveness of fully-connected, feedforward DNNs with 1-Lipschitz activation functions. In particular, we characterize the exp…
International Institute of Information Technology Bangalore（班加罗尔国际信息技术学院）
The Lipschitz constant of neural networks plays an important role in several contexts of deep learning ranging from robustness certification and regularization to stability analysis of systems with neural network controllers. Obtaining tight bounds of the Lipschitz constant is therefore important. We introduce LipBaB, a branch and bound framework to compute certified bounds of the local Lipschitz constant of deep neural networks with ReLU activation functions up to any desired precision. We achieve this by bounding the norm of the Jacobians, corresponding to different activation patterns of th…
Worcester Polytechnic Institute（伍斯特理工学院）；University of Bologna（博洛尼亚大学）
In this paper we use neural networks to learn governing equations from data. Specifically we reconstruct the right-hand side of a system of ODEs $\dot{x}(t) = f(t, x(t))$ directly from observed uniformly time-sampled data using a neural network. In contrast with other neural network based approaches to this problem, we add a Lipschitz regularization term to our loss function. In the synthetic examples we observed empirically that this regularization results in a smoother approximating function and better generalization properties when compared with non-regularized models, both on trajectory an…
Muon Does Not Converge on Convex Lipschitz Functions
Center for Computational Mathematics, Flatiron Institute, Simons Foundation（计算数学中心，Flatiron研究所，Simons基金会）；Princeton University, Google DeepMind（普林斯顿大学，谷歌DeepMind）；George Mason University（乔治·梅森大学）；Université Paris Cité and Sorbonne Université, CNRS, Laboratoire de Probabilités, Statistique et Modélisation（巴黎cité大学和索邦大学，CNRS，概率、统计和建模实验室）
LAAS-CNRS（法国国家科学研究中心自动化、计算机工程、信号与机器人实验室）；Université de Toulouse（图卢兹大学）；IMT（图卢兹理工学院）；IRIT（图卢兹计算机研究所）
The Lipschitz constant of a network plays an important role in many applications of deep learning, such as robustness certification and Wasserstein Generative Adversarial Network. We introduce a semidefinite programming hierarchy to estimate the global and local Lipschitz constant of a multiple layer deep neural network. The novelty is to combine a polynomial lifting for ReLU functions derivatives with a weak generalization of Putinar's positivity certificate. This idea could also apply to other, nearly sparse, polynomial optimization problems in machine learning. We empirically demonstrate th…
Seoul National University（首尔国立大学）；Institute of New Media and Communications（新媒体与传播研究所）；Department of Electrical and Computer Engineering（电气与计算机工程系）；Automation and Systems Research Institute（自动化与系统研究所）
In this paper, we propose Q-learning algorithms for continuous-time deterministic optimal control problems with Lipschitz continuous controls. Our method is based on a new class of Hamilton-Jacobi-Bellman (HJB) equations derived from applying the dynamic programming principle to continuous-time Q-functions. A novel semi-discrete version of the HJB equation is proposed to design a Q-learning algorithm that uses data collected in discrete time without discretizing or approximating the system dynamics. We identify the condition under which the Q-function estimated by this algorithm converges to t…
Lipschitz Constant Meets Condition Number: Learning Robust and Compact Deep Neural Networks
Software Engineering Institute, East China Normal University（华东师范大学软件工程学院）；School of Artificial Intelligence, University of Chinese Academy of Sciences（中国科学院大学人工智能学院）；Tianjin University（天津大学）
In this paper, we derive upper bounds on generalization errors for deep neural networks with Markov datasets. These bounds are developed based on Koltchinskii and Panchenko's approach for bounding the generalization error of combined classifiers with i.i.d. datasets. The development of new symmetrization inequalities in high-dimensional probability for Markov chains is a key element in our extension, where the spectral gap of the infinitesimal generator of the Markov chain plays a key parameter in these inequalities. We also propose a simple method to convert these bounds and other similar one…
We show that any smooth bi-Lipschitz $h$ can be represented exactly as a composition $h_m \circ ... \circ h_1$ of functions $h_1,...,h_m$ that are close to the identity in the sense that each $\left(h_i-\mathrm{Id}\right)$ is Lipschitz, and the Lipschitz constant decreases inversely with the number $m$ of functions composed. This implies that $h$ can be represented to any accuracy by a deep residual network whose nonlinear layers compute functions with a small Lipschitz constant. Next, we consider nonlinear regression with a composition of near-identity nonlinear maps. We show that, regarding …
We introduce the Contextual Graph Markov Model, an approach combining ideas from generative models and neural networks for the processing of graph data. It founds on a constructive methodology to build a deep architecture comprising layers of probabilistic models that learn to encode the structured information in an incremental fashion. Context is diffused in an efficient and scalable way across the graph vertexes and edges. The resulting graph encoding is used in combination with discriminative models to address structure classification benchmarks.
Freie Universität Berlin（柏林自由大学）；Tongji University（同济大学）
We propose a deep generative Markov State Model (DeepGenMSM) learning framework for inference of metastable dynamical systems and prediction of trajectories. After unsupervised training on time series data, the model contains (i) a probabilistic encoder that maps from high-dimensional configuration space to a small-sized vector indicating the membership to metastable (long-lived) states, (ii) a Markov chain that governs the transitions between metastable states and facilitates analysis of the long-time dynamics, and (iii) a generative part that samples the conditional distribution of configura…
Deep Q-Learning has been successfully applied to a wide variety of tasks in the past several years. However, the architecture of the vanilla Deep Q-Network is not suited to deal with partially observable environments such as 3D video games. For this, recurrent layers have been added to the Deep Q-Network in order to allow it to handle past dependencies. We here use Minecraft for its customization advantages and design two very simple missions that can be frames as Partially Observable Markov Decision Process. We compare on these missions the Deep Q-Network and the Deep Recurrent Q-Network in o…
