Optimization
Causal Discovery from Temporal Data: An Overview and New Perspectives
Gong, Chang, Yao, Di, Zhang, Chuzhe, Li, Wenbin, Bi, Jingping
Temporal data, representing chronological observations of complex systems, has always been a typical data structure that can be widely generated by many domains, such as industry, medicine and finance. Analyzing this type of data is extremely valuable for various applications. Thus, different temporal data analysis tasks, eg, classification, clustering and prediction, have been proposed in the past decades. Among them, causal discovery, learning the causal relations from temporal data, is considered an interesting yet critical task and has attracted much research attention. Existing causal discovery works can be divided into two highly correlated categories according to whether the temporal data is calibrated, ie, multivariate time series causal discovery, and event sequence causal discovery. However, most previous surveys are only focused on the time series causal discovery and ignore the second category. In this paper, we specify the correlation between the two categories and provide a systematical overview of existing solutions. Furthermore, we provide public datasets, evaluation metrics and new perspectives for temporal data causal discovery.
Exponential Concentration of Stochastic Approximation with Non-vanishing Gradient
Law, Kody, Walton, Neil, Yang, Shangda
We consider stochastic approximation algorithms where the expected progress toward the optimum is proportional to the algorithm's step size. For instance, a stochastic gradient descent algorithm applied to a convex function will satisfy this property when bounded away from the optimum. This property can continue to hold when the optimum is on the corner of a convex constraint set or when the function is not smooth at the optimum or when the objective function lies within a cone. In such settings, we will show that a projected stochastic gradient descent algorithm can have a different rate of convergence than would be anticipated by standard results for stochastic gradient descent with a smooth objective and smooth constraints. We develop new results whose methods are typically used in probability to analyze random walks or in applied probability to analyze queueing networks. For stochastic approximation, our results establish new exponential concentration bounds. We now summarize the background and problems where our results apply.
Distributed Online Private Learning of Convex Nondecomposable Objectives
Cheng, Huqiang, Liao, Xiaofeng, Li, Huaqing
We deal with a general distributed constrained online learning problem with privacy over time-varying networks, where a class of nondecomposable objectives are considered. Under this setting, each node only controls a part of the global decision, and the goal of all nodes is to collaboratively minimize the global cost over a time horizon $T$ while guarantees the security of the transmitted information. For such problems, we first design a novel generic algorithm framework, named as DPSDA, of differentially private distributed online learning using the Laplace mechanism and the stochastic variants of dual averaging method. Note that in the dual updates, all nodes of DPSDA employ the noise-corrupted gradients for more generality. Then, we propose two algorithms, named as DPSDA-C and DPSDA-PS, under this framework. In DPSDA-C, the nodes implement a circulation-based communication in the primal updates so as to alleviate the disagreements over time-varying undirected networks. In addition, for the extension to time-varying directed ones, the nodes implement the broadcast-based push-sum dynamics in DPSDA-PS, which can achieve average consensus over arbitrary directed networks. Theoretical results show that both algorithms attain an expected regret upper bound in $\mathcal{O}( \sqrt{T} )$ when the objective function is convex, which matches the best utility achievable by cutting-edge algorithms. Finally, numerical experiment results on both synthetic and real-world datasets verify the effectiveness of our algorithms.
$\mathcal{N}$IPM-HLSP: An Efficient Interior-Point Method for Hierarchical Least-Squares Programs
Pfeiffer, Kai, Escande, Adrien, Righetti, Ludovic
Hierarchical least-squares programs with linear constraints (HLSP) are a type of optimization problem very common in robotics. Each priority level contains an objective in least-squares form which is subject to the linear constraints of the higher priority levels. Active-set methods are a popular choice for solving them. However, they can perform poorly in terms of computational time if there are large changes of the active set. We therefore propose a computationally efficient primal-dual interior-point method (IPM) for dense HLSP's which is able to maintain constant numbers of solver iterations in these situations. We base our IPM on the computationally efficient nullspace method as it requires only a single matrix factorization per solver iteration instead of two as it is the case for other IPM formulations. We show that the resulting normal equations can be expressed in least-squares form. This avoids the formation of the quadratic Lagrangian Hessian and can possibly maintain high levels of sparsity. Our solver reliably solves ill-posed instantaneous hierarchical robot control problems without exhibiting the large variations in computation time seen in active-set methods.
Automatically Bounding the Taylor Remainder Series: Tighter Bounds and New Applications
Streeter, Matthew, Dillon, Joshua V.
We present a new algorithm for automatically bounding the Taylor remainder series. In the special case of a scalar function $f: \mathbb{R} \to \mathbb{R}$, our algorithm takes as input a reference point $x_0$, trust region $[a, b]$, and integer $k \ge 1$, and returns an interval $I$ such that $f(x) - \sum_{i=0}^{k-1} \frac {1} {i!} f^{(i)}(x_0) (x - x_0)^i \in I (x - x_0)^k$ for all $x \in [a, b]$. As in automatic differentiation, the function $f$ is provided to the algorithm in symbolic form, and must be composed of known atomic functions. At a high level, our algorithm has two steps. First, for a variety of commonly-used elementary functions (e.g., $\exp$, $\log$), we use recently-developed theory to derive sharp polynomial upper and lower bounds on the Taylor remainder series. We then recursively combine the bounds for the elementary functions using an interval arithmetic variant of Taylor-mode automatic differentiation. Our algorithm can make efficient use of machine learning hardware accelerators, and we provide an open source implementation in JAX. We then turn our attention to applications. Most notably, in a companion paper we use our new machinery to create the first universal majorization-minimization optimization algorithms: algorithms that iteratively minimize an arbitrary loss using a majorizer that is derived automatically, rather than by hand. We also show that our automatically-derived bounds can be used for verified global optimization and numerical integration, and to prove sharper versions of Jensen's inequality.
From Sparse to Soft Mixtures of Experts
Puigcerver, Joan, Riquelme, Carlos, Mustafa, Basil, Houlsby, Neil
Despite their success, MoEs suffer from a number of issues: training instability, token dropping, inability to scale the number of experts, or ineffective finetuning. In this work, we propose Soft MoE, a fully-differentiable sparse Transformer that addresses these challenges, while maintaining the benefits of MoEs. Soft MoE performs an implicit soft assignment by passing different weighted combinations of all input tokens to each expert. As in other MoE works, experts in Soft MoE only process a subset of the (combined) tokens, enabling larger model capacity at lower inference cost. In the context of visual recognition, Soft MoE greatly outperforms standard Transformers (ViTs) and popular MoE variants (Tokens Choice and Experts Choice). For example, Soft MoE-Base/16 requires 10.5 lower inference cost (5.7 lower wall-clock time) than ViT-Huge/14 while matching its performance after similar training. Soft MoE also scales well: Soft MoE Huge/14 with 128 experts in 16 MoE layers has over 40 more parameters than ViT Huge/14, while inference time cost grows by only 2%, and it performs substantially better.
Learning Regionalization within a Differentiable High-Resolution Hydrological Model using Accurate Spatial Cost Gradients
Huynh, Ngo Nghi Truyen, Garambois, Pierre-Andrรฉ, Colleoni, Franรงois, Renard, Benjamin, Roux, Hรฉlรจne, Demargne, Julie, Javelle, Pierre
Estimating spatially distributed hydrological parameters in ungauged catchments poses a challenging regionalization problem and requires imposing spatial constraints given the sparsity of discharge data. A possible approach is to search for a transfer function that quantitatively relates physical descriptors to conceptual model parameters. This paper introduces a Hybrid Data Assimilation and Parameter Regionalization (HDA-PR) approach incorporating learnable regionalization mappings, based on either multivariate regressions or neural networks, into a differentiable hydrological model. It enables the exploitation of heterogeneous datasets across extensive spatio-temporal computational domains within a high-dimensional regionalization context, using accurate adjoint-based gradients. The inverse problem is tackled with a multi-gauge calibration cost function accounting for information from multiple observation sites. HDA-PR was tested on high-resolution, hourly and kilometric regional modeling of two flash-flood-prone areas located in the South of France. In both study areas, the median Nash-Sutcliffe efficiency (NSE) scores ranged from 0.52 to 0.78 at pseudo-ungauged sites over calibration and validation periods. These results highlight a strong regionalization performance of HDA-PR, improving NSE by up to 0.57 compared to the baseline model calibrated with lumped parameters, and achieving a performance comparable to the reference solution obtained with local uniform calibration (median NSE from 0.59 to 0.79). Multiple evaluation metrics based on flood-oriented hydrological signatures are also employed to assess the accuracy and robustness of the approach. The regionalization method is amenable to state-parameter correction from multi-source data over a range of time scales needed for operational data assimilation, and it is adaptable to other differentiable geophysical models.
Certified Multi-Fidelity Zeroth-Order Optimization
de Montbrun, รtienne, Gerchinovitz, Sรฉbastien
We consider the problem of multi-fidelity zeroth-order optimization, where one can evaluate a function $f$ at various approximation levels (of varying costs), and the goal is to optimize $f$ with the cheapest evaluations possible. In this paper, we study \emph{certified} algorithms, which are additionally required to output a data-driven upper bound on the optimization error. We first formalize the problem in terms of a min-max game between an algorithm and an evaluation environment. We then propose a certified variant of the MFDOO algorithm and derive a bound on its cost complexity for any Lipschitz function $f$. We also prove an $f$-dependent lower bound showing that this algorithm has a near-optimal cost complexity. We close the paper by addressing the special case of noisy (stochastic) evaluations as a direct example.
An efficient, provably exact, practical algorithm for the 0-1 loss linear classification problem
He, Xi, Rahman, Waheed Ul, Little, Max A.
There has been an increasing trend to leverage machine learning (ML) for high-stakes prediction applications that deeply impact human lives. Many of these ML models are "black boxes" with highly complex, inscrutable functional forms. In high-stakes applications such as healthcare and criminal justice, black box ML predictions have incorrectly denied parole [Wexler, 2017], misclassified highly polluted air as safe to breathe [McGough, 2018], and suggested poor allocation of valuable, limited resources in medicine and energy reliability [Varshney and Alemzadeh, 2017]. In such high-stakes applications of ML, we always want the best possible prediction, and we want to know how the model makes these predictions so that we can be confident the predictions are meaningful [Rudin, 2022]. In short, the ideal model is simple enough to be easily understood (interpretable), and optimally accurate (exact). Hence, in high-stakes applications of ML, we always want the best possible prediction, and we want to know how the model makes these predictions so that we can be confident the predictions are meaningful. In short, the ideal model is simple enough to understand and optimally accurate, then our interpretations of the results can be faithful to what our model actually computes. Another compelling reason why simple models are preferable is because such low complexity models usually provide better statistical generality, in the sense that a classifier fit to some training dataset, will work well on another dataset drawn from the same distribution to which we do not have access (works well out-of-sample). The VC dimension is a key measure of the complexity of a classification model.
Bayesian Optimization of Expensive Nested Grey-Box Functions
Xu, Wenjie, Jiang, Yuning, Svetozarevic, Bratislav, Jones, Colin N.
We consider the problem of optimizing a grey-box objective function, i.e., nested function composed of both black-box and white-box functions. A general formulation for such grey-box problems is given, which covers the existing grey-box optimization formulations as special cases. We then design an optimism-driven algorithm to solve it. Under certain regularity assumptions, our algorithm achieves similar regret bound as that for the standard black-box Bayesian optimization algorithm, up to a constant multiplicative term depending on the Lipschitz constants of the functions considered. We further extend our method to the constrained case and discuss special cases. For the commonly used kernel functions, the regret bounds allow us to derive a convergence rate to the optimal solution. Experimental results show that our grey-box optimization method empirically improves the speed of finding the global optimal solution significantly, as compared to the standard black-box optimization algorithm.