Optimization
Combinatorial Bayesian Optimization with Random Mapping Functions to Convex Polytope
Kim, Jungtaek, Cho, Minsu, Choi, Seungjin
Bayesian optimization is a popular method for solving the problem of global optimization of an expensive-to-evaluate black-box function. It relies on a probabilistic surrogate model of the objective function, upon which an acquisition function is built to determine where next to evaluate the objective function. In general, Bayesian optimization with Gaussian process regression operates on a continuous space. When input variables are categorical or discrete, an extra care is needed. A common approach is to use one-hot encoded or Boolean representation for categorical variables which might yield a {\em combinatorial explosion} problem. In this paper we present a method for Bayesian optimization in a combinatorial space, which can operate well in a large combinatorial space. The main idea is to use a random mapping which embeds the combinatorial space into a convex polytope in a continuous space, on which all essential process is performed to determine a solution to the black-box optimization in the combinatorial space. We describe our {\em combinatorial Bayesian optimization} algorithm and present its regret analysis. Numerical experiments demonstrate that our method outperforms existing methods.
Redundancy Resolution and Disturbance Rejection via Torque Optimization in Hybrid Cable-Driven Robots
Qi, Ronghuai, Khajepour, Amir, Melek, William W.
This paper presents redundancy resolution and disturbance rejection via torque optimization in Hybrid Cable-Driven Robots (HCDRs). To begin with, we initiate a redundant HCDR for nonlinear whole-body system modeling and model reduction. Based on the reduced dynamic model, two new methods are proposed to solve the redundancy resolution problem: joint-space torque optimization for actuated joints (TOAJ) and joint-space torque optimization for actuated and unactuated joints (TOAUJ), and they can be extended to other HCDRs. Compared to the existing approaches, this paper provides the first solution (TOAUJ-based method) for HCDRs that can solve the redundancy resolution problem as well as disturbance rejection. Additionally, this paper develops detailed algorithms targeting TOAJ and TOAUJ implementation. A simple yet effective controller is designed for generated data analysis and validation. Case studies are conducted to evaluate the performance of TOAJ and TOAUJ, and the results suggest the effectiveness of the aforementioned approaches.
Pareto-efficient Acquisition Functions for Cost-Aware Bayesian Optimization
Guinet, Gauthier, Perrone, Valerio, Archambeau, Cรฉdric
Bayesian optimization (BO) is a popular method to optimize expensive black-box functions. It efficiently tunes machine learning algorithms under the implicit assumption that hyperparameter evaluations cost approximately the same. In reality, the cost of evaluating different hyperparameters, be it in terms of time, dollars or energy, can span several orders of magnitude of difference. While a number of heuristics have been proposed to make BO cost-aware, none of these have been proven to work robustly. In this work, we reformulate cost-aware BO in terms of Pareto efficiency and introduce the cost Pareto Front, a mathematical object allowing us to highlight the shortcomings of commonly used acquisition functions. Based on this, we propose a novel Pareto-efficient adaptation of the expected improvement. On 144 real-world black-box function optimization problems we show that our Pareto-efficient acquisition functions significantly outperform previous solutions, bringing up to 50% speed-ups while providing finer control over the cost-accuracy trade-off. We also revisit the common choice of Gaussian process cost models, showing that simple, low-variance cost models predict training times effectively.
Effect of barren plateaus on gradient-free optimization
Arrasmith, Andrew, Cerezo, M., Czarnik, Piotr, Cincio, Lukasz, Coles, Patrick J.
Barren plateau landscapes correspond to gradients that vanish exponentially in the number of qubits. Such landscapes have been demonstrated for variational quantum algorithms and quantum neural networks with either deep circuits or global cost functions. For obvious reasons, it is expected that gradient-based optimizers will be significantly affected by barren plateaus. However, whether or not gradient-free optimizers are impacted is a topic of debate, with some arguing that gradient-free approaches are unaffected by barren plateaus. Here we show that, indeed, gradient-free optimizers do not solve the barren plateau problem. Our main result proves that cost function differences, which are the basis for making decisions in a gradient-free optimization, are exponentially suppressed in a barren plateau. Hence, without exponential precision, gradient-free optimizers will not make progress in the optimization. We numerically confirm this by training in a barren plateau with several gradient-free optimizers (Nelder-Mead, Powell, and COBYLA algorithms), and show that the numbers of shots required in the optimization grows exponentially with the number of qubits.
Tensor Kernel Recovery for Spatio-Temporal Hawkes Processes
Sheen, Heejune, Zhu, Xiaonan, Xie, Yao
We estimate the general influence functions for spatio-temporal Hawkes processes using a tensor recovery approach by formulating the location dependent influence function that captures the influence of historical events as a tensor kernel. We assume a low-rank structure for the tensor kernel and cast the estimation problem as a convex optimization problem using the Fourier transformed nuclear norm (TNN). We provide theoretical performance guarantees for our approach and present an algorithm to solve the optimization problem. We demonstrate the efficiency of our estimation with numerical simulations.
A Homotopy-based Algorithm for Sparse Multiple Right-hand Sides Nonnegative Least Squares
Nadisic, Nicolas, Vandaele, Arnaud, Gillis, Nicolas
Nonnegative least squares (NNLS) problems arise in models that rely on additive linear combinations. In particular, they are at the core of nonnegative matrix factorization (NMF) algorithms. The nonnegativity constraint is known to naturally favor sparsity, that is, solutions with few non-zero entries. However, it is often useful to further enhance this sparsity, as it improves the interpretability of the results and helps reducing noise. While the $\ell_0$-"norm", equal to the number of non-zeros entries in a vector, is a natural sparsity measure, its combinatorial nature makes it difficult to use in practical optimization schemes. Most existing approaches thus rely either on its convex surrogate, the $\ell_1$-norm, or on heuristics such as greedy algorithms. In the case of multiple right-hand sides NNLS (MNNLS), which are used within NMF algorithms, sparsity is often enforced column- or row-wise, and the fact that the solution is a matrix is not exploited. In this paper, we first introduce a novel formulation for sparse MNNLS, with a matrix-wise $\ell_0$ sparsity constraint. Then, we present a two-step algorithm to tackle this problem. The first step uses a homotopy algorithm to produce the whole regularization path for all the $\ell_1$-penalized NNLS problems arising in MNNLS, that is, to produce a set of solutions representing different tradeoffs between reconstruction error and sparsity. The second step selects solutions among these paths in order to build a sparsity-constrained matrix that minimizes the reconstruction error. We illustrate the advantages of our proposed algorithm for the unmixing of facial and hyperspectral images.
Combinatorial 3D Shape Generation via Sequential Assembly
Kim, Jungtaek, Chung, Hyunsoo, Lee, Jinhwi, Cho, Minsu, Park, Jaesik
Sequential assembly with geometric primitives has drawn attention in robotics and 3D vision since it yields a practical blueprint to construct a target shape. However, due to its combinatorial property, a greedy method falls short of generating a sequence of volumetric primitives. To alleviate this consequence induced by a huge number of feasible combinations, we propose a combinatorial 3D shape generation framework. The proposed framework reflects an important aspect of human generation processes in real life -- we often create a 3D shape by sequentially assembling unit primitives with geometric constraints. To find the desired combination regarding combination evaluations, we adopt Bayesian optimization, which is able to exploit and explore efficiently the feasible regions constrained by the current primitive placements. An evaluation function conveys global structure guidance for an assembly process and stability in terms of gravity and external forces simultaneously. Experimental results demonstrate that our method successfully generates combinatorial 3D shapes and simulates more realistic generation processes. We also introduce a new dataset for combinatorial 3D shape generation. All the codes are available at \url{https://github.com/POSTECH-CVLab/Combinatorial-3D-Shape-Generation}.
Optimizing parametrized quantum circuits via noise-induced breaking of symmetries
Fontana, Enrico, Cerezo, M., Arrasmith, Andrew, Rungger, Ivan, Coles, Patrick J.
Very little is known about the cost landscape for parametrized Quantum Circuits (PQCs). Nevertheless, PQCs are employed in Quantum Neural Networks and Variational Quantum Algorithms, which may allow for near-term quantum advantage. Such applications require good optimizers to train PQCs. Recent works have focused on quantum-aware optimizers specifically tailored for PQCs. However, ignorance of the cost landscape could hinder progress towards such optimizers. In this work, we analytically prove two results for PQCs: (1) We find an exponentially large symmetry in PQCs, yielding an exponentially large degeneracy of the minima in the cost landscape. (2) We show that noise (specifically non-unital noise) can break these symmetries and lift the degeneracy of minima, making many of them local minima instead of global minima. Based on these results, we introduce an optimization method called Symmetry-based Minima Hopping (SYMH), which exploits the underlying symmetries in PQCs to hop between local minima in the cost landscape. The versatility of SYMH allows it to be combined with local optimizers (e.g., gradient descent) with minimal overhead. Our numerical simulations show that SYMH improves the overall optimizer performance.
Uncorrelated Semi-paired Subspace Learning
Wang, Li, Zhang, Lei-Hong, Shen, Chungen, Li, Ren-Cang
Multi-view datasets are increasingly collected in many real-world applications, and we have seen better learning performance by existing multi-view learning methods than by conventional single-view learning methods applied to each view individually. But, most of these multi-view learning methods are built on the assumption that at each instance no view is missing and all data points from all views must be perfectly paired. Hence they cannot handle unpaired data but ignore them completely from their learning process. However, unpaired data can be more abundant in reality than paired ones and simply ignoring all unpaired data incur tremendous waste in resources. In this paper, we focus on learning uncorrelated features by semi-paired subspace learning, motivated by many existing works that show great successes of learning uncorrelated features. Specifically, we propose a generalized uncorrelated multi-view subspace learning framework, which can naturally integrate many proven learning criteria on the semi-paired data. To showcase the flexibility of the framework, we instantiate five new semi-paired models for both unsupervised and semi-supervised learning. We also design a successive alternating approximation (SAA) method to solve the resulting optimization problem and the method can be combined with the powerful Krylov subspace projection technique if needed. Extensive experimental results on multi-view feature extraction and multi-modality classification show that our proposed models perform competitively to or better than the baselines.
Evolutionary Algorithms
With this approach, candidate solutions to an optimization problem are randomly generated and act as individuals interacting with a larger population. A fitness function determines the quality of the solutions the candidates find as they move about in each iteration. The "best fit" individuals are then chosen for reproduction in the next iteration. This generational process is repeated until the algorithm has evolved to find the optimal solution to the problem.