Comparison-Based Optimizers Need Comparison-Based Surrogates

Taking inspiration from approximate ranking, this paper nvestigates the use of rank-based Support Vector Machine as surrogate model within CMA-ES, enforcing the invariance of the approach with respect to monotonous transformations of the fitness function. Whereas the choice of the SVM kernel is known to be a critical issue, the proposed approach uses the Covariance Matrix adapted by CMA-ES within a Gaussian kernel, ensuring the adaptation of the kernel to the currently explored region of the fitness landscape at almost no computational overhead. The empirical validation of the approach on standard benchmarks, comparatively to CMA-ES and recent surrogate-based CMA-ES, demonstrates the efficiency and scalability of the proposed approach

Solving the G-problems in less than 500 iterations: Improved efficient constrained optimization by surrogate modeling and adaptive parameter control

Constrained optimization of high-dimensional numerical problems plays an important role in many scientific and industrial applications. Function evaluations in many industrial applications are severely limited and no analytical information about objective function and constraint functions is available. For such expensive black-box optimization tasks, the constraint optimization algorithm COBRA was proposed, making use of RBF surrogate modeling for both the objective and the constraint functions. COBRA has shown remarkable success in solving reliably complex benchmark problems in less than 500 function evaluations. Unfortunately, COBRA requires careful adjustment of parameters in order to do so. In this work we present a new self-adjusting algorithm SACOBRA, which is based on COBRA and capable to achieve high-quality results with very few function evaluations and no parameter tuning. It is shown with the help of performance profiles on a set of benchmark problems (G-problems, MOPTA08) that SACOBRA consistently outperforms any COBRA algorithm with fixed parameter setting. We analyze the importance of the several new elements in SACOBRA and find that each element of SACOBRA plays a role to boost up the overall optimization performance. We discuss the reasons behind and get in this way a better understanding of high-quality RBF surrogate modeling

YAHPO Gym -- An Efficient Multi-Objective Multi-Fidelity Benchmark for Hyperparameter Optimization

When developing and analyzing new hyperparameter optimization methods, it is vital to empirically evaluate and compare them on well-curated benchmark suites. In this work, we propose a new set of challenging and relevant benchmark problems motivated by desirable properties and requirements for such benchmarks. Our new surrogate-based benchmark collection consists of 14 scenarios that in total constitute over 700 multi-fidelity hyperparameter optimization problems, which all enable multi-objective hyperparameter optimization. Furthermore, we empirically compare surrogate-based benchmarks to the more widely-used tabular benchmarks, and demonstrate that the latter may produce unfaithful results regarding the performance ranking of HPO methods. We examine and compare our benchmark collection with respect to defined requirements and propose a single-objective as well as a multi-objective benchmark suite on which we compare 7 single-objective and 7 multi-objective optimizers in a benchmark experiment. Our software is available at [https://github.com/slds-lmu/yahpo_gym].Comment: Accepted at the First Conference on Automated Machine Learning (Main Track). 39 pages, 12 tables, 10 figures, 1 listin

Assessing hyper parameter optimization and speedup for convolutional neural networks

The increased processing power of graphical processing units (GPUs) and the availability of large image datasets has fostered a renewed interest in extracting semantic information from images. Promising results for complex image categorization problems have been achieved using deep learning, with neural networks comprised of many layers. Convolutional neural networks (CNN) are one such architecture which provides more opportunities for image classification. Advances in CNN enable the development of training models using large labelled image datasets, but the hyper parameters need to be specified, which is challenging and complex due to the large number of parameters. A substantial amount of computational power and processing time is required to determine the optimal hyper parameters to define a model yielding good results. This article provides a survey of the hyper parameter search and optimization methods for CNN architectures

Efficient Learning of Accurate Surrogates for Simulations of Complex Systems

Machine learning methods are increasingly used to build computationally inexpensive surrogates for complex physical models. The predictive capability of these surrogates suffers when data are noisy, sparse, or time-dependent. As we are interested in finding a surrogate that provides valid predictions of any potential future model evaluations, we introduce an online learning method empowered by optimizer-driven sampling. The method has two advantages over current approaches. First, it ensures that all turning points on the model response surface are included in the training data. Second, after any new model evaluations, surrogates are tested and "retrained" (updated) if the "score" drops below a validity threshold. Tests on benchmark functions reveal that optimizer-directed sampling generally outperforms traditional sampling methods in terms of accuracy around local extrema, even when the scoring metric favors overall accuracy. We apply our method to simulations of nuclear matter to demonstrate that highly accurate surrogates for the nuclear equation of state can be reliably auto-generated from expensive calculations using a few model evaluations.Comment: 13 pages, 6 figures, submitted to Nature Machine Intelligenc

Self-Adaptive Surrogate-Assisted Covariance Matrix Adaptation Evolution Strategy

This paper presents a novel mechanism to adapt surrogate-assisted population-based algorithms. This mechanism is applied to ACM-ES, a recently proposed surrogate-assisted variant of CMA-ES. The resulting algorithm, saACM-ES, adjusts online the lifelength of the current surrogate model (the number of CMA-ES generations before learning a new surrogate) and the surrogate hyper-parameters. Both heuristics significantly improve the quality of the surrogate model, yielding a significant speed-up of saACM-ES compared to the ACM-ES and CMA-ES baselines. The empirical validation of saACM-ES on the BBOB-2012 noiseless testbed demonstrates the efficiency and the scalability w.r.t the problem dimension and the population size of the proposed approach, that reaches new best results on some of the benchmark problems.Comment: Genetic and Evolutionary Computation Conference (GECCO 2012) (2012

Classical Optimizers for Noisy Intermediate-Scale Quantum Devices

We present a collection of optimizers tuned for usage on Noisy Intermediate-Scale Quantum (NISQ) devices. Optimizers have a range of applications in quantum computing, including the Variational Quantum Eigensolver (VQE) and Quantum Approximate Optimization (QAOA) algorithms. They are also used for calibration tasks, hyperparameter tuning, in machine learning, etc. We analyze the efficiency and effectiveness of different optimizers in a VQE case study. VQE is a hybrid algorithm, with a classical minimizer step driving the next evaluation on the quantum processor. While most results to date concentrated on tuning the quantum VQE circuit, we show that, in the presence of quantum noise, the classical minimizer step needs to be carefully chosen to obtain correct results. We explore state-of-the-art gradient-free optimizers capable of handling noisy, black-box, cost functions and stress-test them using a quantum circuit simulation environment with noise injection capabilities on individual gates. Our results indicate that specifically tuned optimizers are crucial to obtaining valid science results on NISQ hardware, and will likely remain necessary even for future fault tolerant circuits

Efficient Journey Planning and Congestion Prediction Through Deep Learning

The advancements of technology continuously rising over the years has seen many applications that are useful in providing users with sufficient information to make better journey plans on their own. However, commuters still find themselves going through congested routes every day to get to their destinations. This paper attempts to delineate the possibilities of improving urban mobility through big data processing and deep-learning models. Essentially, through a predictive model to predict congestion and its duration, this paper aims to develop and validate a functional journey planning mobile application that can predict traffic conditions, allowing road users to make better informed decisions to their travel plans. This paper proposes a Multi-Layered Perceptron (MLP) deep learning model for congestion prediction and supplements a Linear Regression (LR) model to predict its duration. The proposed MLP-LR model performed reasonably well with an accuracy of 63% in predicting an occurrence of congestion. Some critical discussions on further research opportunities stemming from this study is also presented