Many practical machine learning tasks can be framed as Structured prediction problems, where several output variables are predicted and considered interdependent. Recent theoretical advances in structured prediction have focused on obtaining fast rates convergence guarantees, especially in the Implicit Loss Embedding (ILE) framework. PAC-Bayes has gained interest recently for its capacity of producing tight risk bounds for predictor distributions. This work proposes a novel PAC-Bayes perspective on the ILE Structured prediction framework. We present two generalization bounds, on the risk and excess risk, which yield insights into the behavior of ILE predictors. Two learning algorithms are derived from these bounds. The algorithms are implemented and their behavior analyzed, with source code available at \url{https://github.com/theophilec/PAC-Bayes-ILE-Structured-Prediction}.
Australian Institute for Machine Learning, University of Adelaide（阿德莱德大学机器学习研究所）；Monash University（莫纳什大学）
We introduce a new and rigorously-formulated PAC-Bayes meta-learning algorithm that solves few-shot learning. Our proposed method extends the PAC-Bayes framework from a single task setting to the meta-learning multiple task setting to upper-bound the error evaluated on any, even unseen, tasks and samples. We also propose a generative-based approach to estimate the posterior of task-specific model parameters more expressively compared to the usual assumption based on a multivariate normal distribution with a diagonal covariance matrix. We show that the models trained with our proposed meta-lear…
EarlyStopping: Implicit Regularization for Iterative Learning Procedures in Python
Institute of Mathematics, Humboldt-Universität zu Berlin（柏林洪堡大学数学研究所）；School of Business and Economics, Humboldt-Universität zu Berlin（柏林洪堡大学工商经济学院）；Institute of Mathematics, Universität Potsdam（波茨坦大学数学研究所）
ETH Zurich（苏黎世联邦理工学院）；École Polytechnique Fédérale de Lausanne (EPFL)（洛桑联邦理工学院）
Implicit neural representations (INRs) have recently emerged as a promising alternative to classical discretized representations of signals. Nevertheless, despite their practical success, we still do not understand how INRs represent signals. We propose a novel unified perspective to theoretically analyse INRs. Leveraging results from harmonic analysis and deep learning theory, we show that most INR families are analogous to structured signal dictionaries whose atoms are integer harmonics of the set of initial mapping frequencies. This structure allows INRs to express signals with an exponenti…
Australian Artificial Intelligence Institute（澳大利亚人工智能研究所）；University of Technology Sydney（悉尼科技大学）
Deep neural networks (NN) have achieved great success in many applications. However, why do deep neural networks obtain good generalization at an over-parameterization regime is still unclear. To better understand deep NN, we establish the connection between deep NN and a novel kernel family, i.e., Neural Optimization Kernel (NOK). The architecture of structured approximation of NOK performs monotonic descent updates of implicit regularization problems. We can implicitly choose the regularization problems by employing different activation functions, e.g., ReLU, max pooling, and soft-thresholdi…
Understanding the implicit bias of training algorithms is of crucial importance in order to explain the success of overparametrised neural networks. In this paper, we study the role of the label noise in the training dynamics of a quadratically parametrised model through its continuous time version. We explicitly characterise the solution chosen by the stochastic flow and prove that it implicitly solves a Lasso program. To fully complete our analysis, we provide nonasymptotic convergence guarantees for the dynamics as well as conditions for support recovery. We also give experimental results w…
Tel Aviv University（特拉维夫大学）；Google Research（谷歌研究院）
The notion of implicit bias, or implicit regularization, has been suggested as a means to explain the surprising generalization ability of modern-days overparameterized learning algorithms. This notion refers to the tendency of the optimization algorithm towards a certain structured solution that often generalizes well. Recently, several papers have studied implicit regularization and were able to identify this phenomenon in various scenarios. We revisit this paradigm in arguably the simplest non-trivial setup, and study the implicit bias of Stochastic Gradient Descent (SGD) in the context of …
Texas A&M University（德克萨斯农工大学）；New York University（纽约大学）
We study the implicit regularization of gradient descent towards structured sparsity via a novel neural reparameterization, which we call a diagonally grouped linear neural network. We show the following intriguing property of our reparameterization: gradient descent over the squared regression loss, without any explicit regularization, biases towards solutions with a group sparsity structure. In contrast to many existing works in understanding implicit regularization, we prove that our training trajectory cannot be simulated by mirror descent. We analyze the gradient dynamics of the correspon…
Imperial College London（帝国理工学院）；University of Genova（热那亚大学）；Istituto Italiano di Tecnologia（意大利理工学院）；Massachusetts Institute of Technology（麻省理工学院）；INRIA（法国国家信息与自动化研究所）；École Normale Supérieure（巴黎高等师范学院）；PSL Research（巴黎文理研究大学）
We propose and analyze a novel theoretical and algorithmic framework for structured prediction. While so far the term has referred to discrete output spaces, here we consider more general settings, such as manifolds or spaces of probability measures. We define structured prediction as a problem where the output space lacks a vectorial structure. We identify and study a large class of loss functions that implicitly defines a suitable geometry on the problem. The latter is the key to develop an algorithmic framework amenable to a sharp statistical analysis and yielding efficient computations. Wh…
Feature Dynamics as Implicit Data Augmentation: A Depth-Decomposed View on Deep Neural Network Generalization
State Key Laboratory of Mathematical Sciences, Academy of Mathematics and Systems Science, Chinese Academy of Sciences, Beijing 100190, China（数学科学国家重点实验室，数学与系统科学研究院，中国科学院，北京）；School of Mathematical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China（数学科学学院，中国科学院大学，北京）；Shanghai Institute for Mathematics and Interdisciplinary Sciences 200433, China（上海数学与交叉科学研究院）
Boston College（波士顿学院）；University of Pittsburgh（匹兹堡大学）；IMDEA Software Institute（IMDEA软件研究所）
We present a formal proof in Lean of probably approximately correct (PAC) learnability of the concept class of decision stumps. This classic result in machine learning theory derives a bound on error probabilities for a simple type of classifier. Though such a proof appears simple on paper, analytic and measure-theoretic subtleties arise when carrying it out fully formally. Our proof is structured so as to separate reasoning about deterministic properties of a learning function from proofs of measurability and analysis of probabilities.
Understanding the implicit bias of training algorithms is of crucial importance in order to explain the success of overparametrised neural networks. In this paper, we study the dynamics of stochastic gradient descent over diagonal linear networks through its continuous time version, namely stochastic gradient flow. We explicitly characterise the solution chosen by the stochastic flow and prove that it always enjoys better generalisation properties than that of gradient flow. Quite surprisingly, we show that the convergence speed of the training loss controls the magnitude of the biasing effect…
University of Science and Technology of China（中国科学技术大学）；Tianjin University（天津大学）；Meituan-Dianping Group（美团点评集团）
Existing representation learning methods in graph convolutional networks are mainly designed by describing the neighborhood of each node as a perceptual whole, while the implicit semantic associations behind highly complex interactions of graphs are largely unexploited. In this paper, we propose a Semantic Graph Convolutional Networks (SGCN) that explores the implicit semantics by learning latent semantic-paths in graphs. In previous work, there are explorations of graph semantics via meta-paths. However, these methods mainly rely on explicit heterogeneous information that is hard to be obtain…
Center for Research on Intelligent Perception and Computing, CASIA（中国科学院自动化研究所智能感知与计算研究中心）；National Laboratory of Pattern Recognition, CASIA（中国科学院自动化研究所模式识别国家重点实验室）；Center for Excellence in Brain Science and Intelligence Technology, CAS（中国科学院脑科学与智能技术卓越创新中心）
Self-paced learning (SPL) mimics the cognitive mechanism of humans and animals that gradually learns from easy to hard samples. One key issue in SPL is to obtain better weighting strategy that is determined by minimizer function. Existing methods usually pursue this by artificially designing the explicit form of SPL regularizer. In this paper, we focus on the minimizer function, and study a group of new regularizer, named self-paced implicit regularizer that is deduced from robust loss function. Based on the convex conjugacy theory, the minimizer function for self-paced implicit regularizer ca…
SILVA Networks as Structured Implicit Layers and Vector Attractors via Dynamic Interaction Fields
Federal University of Bahia（巴伊亚联邦大学）；Grupo de Estudos e Aplicação de Inteligência Artificial em Geofísica (GAIA), Federal University of Bahia（巴伊亚联邦大学地球物理学人工智能研究与应用组（GAIA））
Deep generative models for graph-structured data offer a new angle on the problem of chemical synthesis: by optimizing differentiable models that directly generate molecular graphs, it is possible to side-step expensive search procedures in the discrete and vast space of chemical structures. We introduce MolGAN, an implicit, likelihood-free generative model for small molecular graphs that circumvents the need for expensive graph matching procedures or node ordering heuristics of previous likelihood-based methods. Our method adapts generative adversarial networks (GANs) to operate directly on g…
University of Illinois at Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）
For joint inference over multiple variables, a variety of structured prediction techniques have been developed to model correlations among variables and thereby improve predictions. However, many classical approaches suffer from one of two primary drawbacks: they either lack the ability to model high-order correlations among variables while maintaining computationally tractable inference, or they do not allow to explicitly model known correlations. To address this shortcoming, we introduce `Graph Structured Prediction Energy Networks,' for which we develop inference techniques that allow to bo…
University of California, Berkeley（加州大学伯克利分校）；University of California, Davis（加州大学戴维斯分校）
We apply the technique of implicit differentiation to boost performance, reduce numerical error, and remove required user-tuning in the Marginal Unbiased Score Expansion (MUSE) algorithm for hierarchical Bayesian inference. We demonstrate these improvements on three representative inference problems: 1) an extended Neal's funnel 2) Bayesian neural networks, and 3) probabilistic principal component analysis. On our particular test cases, MUSE with implicit differentiation is faster than Hamiltonian Monte Carlo by factors of 155, 397, and 5, respectively, or factors of 65, 278, and 1 without imp…
Most deep learning research has focused on developing new model and training procedures. On the other hand the training objective has usually been restricted to combinations of standard losses. When the objective aligns well with the evaluation metric, this is not a major issue. However when dealing with complex structured outputs, the ideal objective can be hard to optimize and the efficacy of usual objectives as a proxy for the true objective can be questionable. In this work, we argue that the existing inference network based structure prediction methods ( Tu and Gimpel 2018; Tu, Pang, and …
A longstanding question in cognitive science concerns the learning mechanisms underlying compositionality in human cognition. Humans can infer the structured relationships (e.g., grammatical rules) implicit in their sensory observations (e.g., auditory speech), and use this knowledge to guide the composition of simpler meanings into complex wholes. Recent progress in artificial neural networks has shown that when large models are trained on enough linguistic data, grammatical structure emerges in their representations. We extend this work to the domain of mathematical reasoning, where it is po…
