Provably Data-driven Multiple Hyper-parameter Tuning with Structured Loss Function
Université Grenoble Alpes, LJK, CNRS, Grenoble INP（格拉诺布尔大学，LJK，CNRS，格拉诺布尔INP）；Carnegie Mellon University, Machine Learning Department（卡内基梅隆大学，机器学习系）；Chinese University of Hong Kong, Department of Systems Engineering and Engineering Management（香港中文大学，系统工程与工程管理系）
Data-driven algorithm design automates hyperparameter tuning, but its statistical foundations remain limited because model performance can depend on hyperparameters in implicit and highly non-smooth ways. Existing guarantees focus on the simple case of a one-dimensional (scalar) hyperparameter. This leaves the practically important, multi-dimensional hyperparameter tuning setting unresolved. We address this open question by establishing the first general framework for establishing generalization guarantees for tuning multi-dimensional hyperparameters in data-driven settings. Our approach strengthens the generalization guarantee framework for semi-algebraic function classes by exploiting tools from real algebraic geometry, yielding sharper, more broadly applicable guarantees. For completeness, we also instantiate the first lower bound for this general setting. We further extend the analysis to hyperparameter tuning using the validation loss under minimal assumptions, and derive improved bounds when additional structure is available. Finally, we demonstrate the scope of the framework with new learnability results, including data-driven weighted group lasso and weighted fused lasso.
Iowa State University（爱荷华州立大学）；New York University（纽约大学）；Duke University（杜克大学）
In this paper, we study two important problems in the automated design of neural networks -- Hyper-parameter Optimization (HPO), and Neural Architecture Search (NAS) -- through the lens of sparse recovery methods. In the first part of this paper, we establish a novel connection between HPO and structured sparse recovery. In particular, we show that a special encoding of the hyperparameter space enables a natural group-sparse recovery formulation, which when coupled with HyperBand (a multi-armed bandit strategy), leads to improvement over existing hyperparameter optimization methods. Experiment…
Tokyo Institute of Technology（东京工业大学）；Technicolor AI Lab（特艺集团人工智能实验室）
Several complex tasks that arise in organizations can be simplified by mapping them into a matrix completion problem. In this paper, we address a key challenge faced by our company: predicting the efficiency of artists in rendering visual effects (VFX) in film shots. We tackle this challenge by using a two-fold approach: first, we transform this task into a constrained matrix completion problem with entries bounded in the unit interval [0, 1]; second, we propose two novel matrix factorization models that leverage our knowledge of the VFX environment. Our first approach, expertise matrix factor…
Many of the recent triumphs in machine learning are dependent on well-tuned hyperparameters. This is particularly prominent in reinforcement learning (RL) where a small change in the configuration can lead to failure. Despite the importance of tuning hyperparameters, it remains expensive and is often done in a naive and laborious way. A recent solution to this problem is Population Based Training (PBT) which updates both weights and hyperparameters in a single training run of a population of agents. PBT has been shown to be particularly effective in RL, leading to widespread use in the field. …
Department of Mathematics and Operational Research（数学与运筹学系）；Faculté Polytechnique, Université de Mons（蒙斯大学理工学院）
In this paper, we provide novel algorithms with identifiability guarantees for simplex-structured matrix factorization (SSMF), a generalization of nonnegative matrix factorization. Current state-of-the-art algorithms that provide identifiability results for SSMF rely on the sufficiently scattered condition (SSC) which requires the data points to be well spread within the convex hull of the basis vectors. The conditions under which our proposed algorithms recover the unique decomposition is in most cases much weaker than the SSC. We only require to have $d$ points on each facet of the convex hu…
Recent breakthrough results in compressed sensing (CS) have established that many high dimensional objects can be accurately recovered from a relatively small number of non- adaptive linear projection observations, provided that the objects possess a sparse representation in some basis. Subsequent efforts have shown that the performance of CS can be improved by exploiting the structure in the location of the non-zero signal coefficients (structured sparsity) or using some form of online measurement focusing (adaptivity) in the sensing process. In this paper we examine a powerful hybrid of thes…
ETH Zurich（苏黎世联邦理工学院）；University of Toronto（多伦多大学）
Bayesian optimization (BO) based on Gaussian process models is a powerful paradigm to optimize black-box functions that are expensive to evaluate. While several BO algorithms provably converge to the global optimum of the unknown function, they assume that the hyperparameters of the kernel are known in advance. This is not the case in practice and misspecification often causes these algorithms to converge to poor local optima. In this paper, we present the first BO algorithm that is provably no-regret and converges to the optimum without knowledge of the hyperparameters. During optimization we…
The Ohio State University（俄亥俄州立大学）；University of Michigan（密歇根大学）
Bilevel optimization has been widely applied in many important machine learning applications such as hyperparameter optimization and meta-learning. Recently, several momentum-based algorithms have been proposed to solve bilevel optimization problems faster. However, those momentum-based algorithms do not achieve provably better computational complexity than $\mathcal{\widetilde O}(ε^{-2})$ of the SGD-based algorithm. In this paper, we propose two new algorithms for bilevel optimization, where the first algorithm adopts momentum-based recursive iterations, and the second algorithm adopts recurs…
Carnegie Mellon University（卡内基梅隆大学）；Courant Institute of Mathematical Sciences, New York University（纽约大学柯朗数学研究所）；University of Southern California（南加州大学）；University of Pennsylvania（宾夕法尼亚大学）
University of Toronto（多伦多大学）；Vector Institute（向量研究所）
Hyperparameter optimization can be formulated as a bilevel optimization problem, where the optimal parameters on the training set depend on the hyperparameters. We aim to adapt regularization hyperparameters for neural networks by fitting compact approximations to the best-response function, which maps hyperparameters to optimal weights and biases. We show how to construct scalable best-response approximations for neural networks by modeling the best-response as a single network whose hidden units are gated conditionally on the regularizer. We justify this approximation by showing the exact be…
NTT Communication Science Laboratories（NTT通信科学实验室）
We propose in this paper a general framework for deriving loss functions for structured prediction. In our framework, the user chooses a convex set including the output space and provides an oracle for projecting onto that set. Given that oracle, our framework automatically generates a corresponding convex and smooth loss function. As we show, adding a projection as output layer provably makes the loss smaller. We identify the marginal polytope, the output space's convex hull, as the best convex set on which to project. However, because the projection onto the marginal polytope can sometimes b…
University of Toronto（多伦多大学）；Vector Institute（向量研究所）
Hyperparameter optimization of neural networks can be elegantly formulated as a bilevel optimization problem. While research on bilevel optimization of neural networks has been dominated by implicit differentiation and unrolling, hypernetworks such as Self-Tuning Networks (STNs) have recently gained traction due to their ability to amortize the optimization of the inner objective. In this paper, we diagnose several subtle pathologies in the training of STNs. Based on these observations, we propose the $Δ$-STN, an improved hypernetwork architecture which stabilizes training and optimizes hyperp…
An efficient, provably optimal algorithm for the 0-1 loss linear classification problem
Xi He School of Computer Science Peking University（何西 北京大学计算机科学学院）；Max A. Little School of Computational Neuroscience University of Birmingham（马克斯·A·利特 布里斯托大学计算神经科学学院）
Model compression is crucial for deployment of neural networks on devices with limited computational and memory resources. Many different methods show comparable accuracy of the compressed model and similar compression rates. However, the majority of the compression methods are based on heuristics and offer no worst-case guarantees on the trade-off between the compression rate and the approximation error for an arbitrarily new sample. We propose the first efficient structured pruning algorithm with a provable trade-off between its compression rate and the approximation error for any future tes…
Structured sparsity has recently emerged in statistics, machine learning and signal processing as a promising paradigm for learning in high-dimensional settings. All existing methods for learning under the assumption of structured sparsity rely on prior knowledge on how to weight (or how to penalize) individual subsets of variables during the subset selection process, which is not available in general. Inferring group weights from data is a key open research problem in structured sparsity.In this paper, we propose a Bayesian approach to the problem of group weight learning. We model the group …
A Provably-Correct and Robust Convex Model for Smooth Separable NMF
Department of Mathematics, Hong Kong Baptist University, Hong Kong（香港 Baptist 大学数学系）；Institute of Data Science and Artificial Intelligence, Faculty of Computer Science and Engineering, Innopolis University（Innopolis 大学数据科学与人工智能研究院）；Department of Mathematics and Operational Research, Université de Mons, Rue de Houdain 9, 7000 Mons, Belgium（蒙斯大学数学与运筹系）；European Research Council (ERC consolidator, eLinoR, no 101085607)（欧洲研究理事会（ERC consolidator, eLinoR, no 101085607））
The Hong Kong University of Science and Technology（香港科技大学）
Learning a graph with a specific structure is essential for interpretability and identification of the relationships among data. It is well known that structured graph learning from observed samples is an NP-hard combinatorial problem. In this paper, we first show that for a set of important graph families it is possible to convert the structural constraints of structure into eigenvalue constraints of the graph Laplacian matrix. Then we introduce a unified graph learning framework, lying at the integration of the spectral properties of the Laplacian matrix with Gaussian graphical modeling that…
Hong Kong University of Science and Technology（香港科技大学）；Universidade Federal de Campina Grande（坎皮纳格兰德联邦大学）
Graph learning from data represents a canonical problem that has received substantial attention in the literature. However, insufficient work has been done in incorporating prior structural knowledge onto the learning of underlying graphical models from data. Learning a graph with a specific structure is essential for interpretability and identification of the relationships among data. Useful structured graphs include the multi-component graph, bipartite graph, connected graph, sparse graph, and regular graph. In general, structured graph learning is an NP-hard combinatorial problem, therefore…
MIT-IBM Watson AI Lab（麻省理工学院-IBM沃森人工智能实验室）；IBM Research（IBM研究院）；MIT CSAIL（麻省理工学院计算机科学与人工智能实验室）
Many modern data analyses benefit from explicitly modeling dependence structure in data -- such as measurements across time or space, ordered words in a sentence, or genes in a genome. A gold standard evaluation technique is structured cross-validation (CV), which leaves out some data subset (such as data within a time interval or data in a geographic region) in each fold. But CV here can be prohibitively slow due to the need to re-run already-expensive learning algorithms many times. Previous work has shown approximate cross-validation (ACV) methods provide a fast and provably accurate altern…
Bayesian optimization is popular for optimizing time-consuming black-box objectives. Nonetheless, for hyperparameter tuning in deep neural networks, the time required to evaluate the validation error for even a few hyperparameter settings remains a bottleneck. Multi-fidelity optimization promises relief using cheaper proxies to such objectives --- for example, validation error for a network trained using a subset of the training points or fewer iterations than required for convergence. We propose a highly flexible and practical approach to multi-fidelity Bayesian optimization, focused on effic…
