Ozaki, Yoshihiko | Tanigaki, Yuki (National Institute of Advanced Industrial Science and Technology) | Watanabe, Shuhei (University of Freiburg) | Nomura, Masahiro (CyberAgent, Inc.) | Onishi, Masaki (National Institute of Advanced Industrial Science and Technology)
Practitioners often encounter challenging real-world problems that involve a simultaneous optimization of multiple objectives in a complex search space. To address these problems, we propose a practical multiobjective Bayesian optimization algorithm. It is an extension of the widely used Tree-structured Parzen Estimator (TPE) algorithm, called Multiobjective Tree-structured Parzen Estimator (MOTPE). We demonstrate that MOTPE approximates the Pareto fronts of a variety of benchmark problems and a convolutional neural network design problem better than existing methods through the numerical results. We also investigate how the configuration of MOTPE affects the behavior and the performance of the method and the effectiveness of asynchronous parallelization of the method based on the empirical results.
In the past 30 years, scientists have searched nature, including animals and insects, and biology in order to discover, understand, and model solutions for solving large-scale science challenges. The study of bionics reveals that how the biological structures, functions found in nature have improved our modern technologies. In this study, we present our discovery of evolutionary and nature-inspired algorithms applications in Data Science and Data Analytics in three main topics of pre-processing, supervised algorithms, and unsupervised algorithms. Among all applications, in this study, we aim to investigate four optimization algorithms that have been performed using the evolutionary and nature-inspired algorithms within data science and analytics. Feature selection optimization in pre-processing section, Hyper-parameter tuning optimization, and knowledge discovery optimization in supervised algorithms, and clustering optimization in the unsupervised algorithms.
Petropoulos, Fotios, Apiletti, Daniele, Assimakopoulos, Vassilios, Babai, Mohamed Zied, Barrow, Devon K., Taieb, Souhaib Ben, Bergmeir, Christoph, Bessa, Ricardo J., Bijak, Jakub, Boylan, John E., Browell, Jethro, Carnevale, Claudio, Castle, Jennifer L., Cirillo, Pasquale, Clements, Michael P., Cordeiro, Clara, Oliveira, Fernando Luiz Cyrino, De Baets, Shari, Dokumentov, Alexander, Ellison, Joanne, Fiszeder, Piotr, Franses, Philip Hans, Frazier, David T., Gilliland, Michael, Gönül, M. Sinan, Goodwin, Paul, Grossi, Luigi, Grushka-Cockayne, Yael, Guidolin, Mariangela, Guidolin, Massimo, Gunter, Ulrich, Guo, Xiaojia, Guseo, Renato, Harvey, Nigel, Hendry, David F., Hollyman, Ross, Januschowski, Tim, Jeon, Jooyoung, Jose, Victor Richmond R., Kang, Yanfei, Koehler, Anne B., Kolassa, Stephan, Kourentzes, Nikolaos, Leva, Sonia, Li, Feng, Litsiou, Konstantia, Makridakis, Spyros, Martin, Gael M., Martinez, Andrew B., Meeran, Sheik, Modis, Theodore, Nikolopoulos, Konstantinos, Önkal, Dilek, Paccagnini, Alessia, Panagiotelis, Anastasios, Panapakidis, Ioannis, Pavía, Jose M., Pedio, Manuela, Pedregal, Diego J., Pinson, Pierre, Ramos, Patrícia, Rapach, David E., Reade, J. James, Rostami-Tabar, Bahman, Rubaszek, Michał, Sermpinis, Georgios, Shang, Han Lin, Spiliotis, Evangelos, Syntetos, Aris A., Talagala, Priyanga Dilini, Talagala, Thiyanga S., Tashman, Len, Thomakos, Dimitrios, Thorarinsdottir, Thordis, Todini, Ezio, Arenas, Juan Ramón Trapero, Wang, Xiaoqian, Winkler, Robert L., Yusupova, Alisa, Ziel, Florian
Forecasting has always been at the forefront of decision making and planning. The uncertainty that surrounds the future is both exciting and challenging, with individuals and organisations seeking to minimise risks and maximise utilities. The large number of forecasting applications calls for a diverse set of forecasting methods to tackle real-life challenges. This article provides a non-systematic review of the theory and the practice of forecasting. We provide an overview of a wide range of theoretical, state-of-the-art models, methods, principles, and approaches to prepare, produce, organise, and evaluate forecasts. We then demonstrate how such theoretical concepts are applied in a variety of real-life contexts. We do not claim that this review is an exhaustive list of methods and applications. However, we wish that our encyclopedic presentation will offer a point of reference for the rich work that has been undertaken over the last decades, with some key insights for the future of forecasting theory and practice. Given its encyclopedic nature, the intended mode of reading is non-linear. We offer cross-references to allow the readers to navigate through the various topics. We complement the theoretical concepts and applications covered by large lists of free or open-source software implementations and publicly-available databases.
The Internet of Things (IoT) is a paradigm characterized by a network of embedded sensors and services. These sensors are incorporated to collect various information, track physical conditions, e.g., waste bins' status, and exchange data with different centralized platforms. The need for such sensors is increasing; however, proliferation of technologies comes with various challenges. For example, how can IoT and its associated data be used to enhance waste management? In smart cities, an efficient waste management system is crucial. Artificial Intelligence (AI) and IoT-enabled approaches can empower cities to manage the waste collection. This work proposes an intelligent approach to route recommendation in an IoT-enabled waste management system given spatial constraints. It performs a thorough analysis based on AI-based methods and compares their corresponding results. Our solution is based on a multiple-level decision-making process in which bins' status and coordinates are taken into account to address the routing problem. Such AI-based models can help engineers design a sustainable infrastructure system.
Hyperparameter optimization (HPO) is a necessary step to ensure the best possible performance of Machine Learning (ML) algorithms. Several methods have been developed to perform HPO; most of these are focused on optimizing one performance measure (usually an error-based measure), and the literature on such single-objective HPO problems is vast. Recently, though, algorithms have appeared which focus on optimizing multiple conflicting objectives simultaneously. This article presents a systematic survey of the literature published between 2014 and 2020 on multi-objective HPO algorithms, distinguishing between metaheuristic-based algorithms, metamodel-based algorithms, and approaches using a mixture of both. We also discuss the quality metrics used to compare multi-objective HPO procedures and present future research directions.
The multi-task learning (MTL) paradigm can be traced back to an early paper of Caruana (1997) in which it was argued that data from multiple tasks can be used with the aim to obtain a better performance over learning each task independently. A solution of MTL with conflicting objectives requires modelling the trade-off among them which is generally beyond what a straight linear combination can achieve. A theoretically principled and computationally effective strategy is finding solutions which are not dominated by others as it is addressed in the Pareto analysis. Multi-objective optimization problems arising in the multi-task learning context have specific features and require adhoc methods. The analysis of these features and the proposal of a new computational approach represent the focus of this work. Multi-objective evolutionary algorithms (MOEAs) can easily include the concept of dominance and therefore the Pareto analysis. The major drawback of MOEAs is a low sample efficiency with respect to function evaluations. The key reason for this drawback is that most of the evolutionary approaches do not use models for approximating the objective function. Bayesian Optimization takes a radically different approach based on a surrogate model, such as a Gaussian Process. In this thesis the solutions in the Input Space are represented as probability distributions encapsulating the knowledge contained in the function evaluations. In this space of probability distributions, endowed with the metric given by the Wasserstein distance, a new algorithm MOEA/WST can be designed in which the model is not directly on the objective function but in an intermediate Information Space where the objects from the input space are mapped into histograms. Computational results show that the sample efficiency and the quality of the Pareto set provided by MOEA/WST are significantly better than in the standard MOEA.
Lavin, Alexander, Zenil, Hector, Paige, Brooks, Krakauer, David, Gottschlich, Justin, Mattson, Tim, Anandkumar, Anima, Choudry, Sanjay, Rocki, Kamil, Baydin, Atılım Güneş, Prunkl, Carina, Paige, Brooks, Isayev, Olexandr, Peterson, Erik, McMahon, Peter L., Macke, Jakob, Cranmer, Kyle, Zhang, Jiaxin, Wainwright, Haruko, Hanuka, Adi, Veloso, Manuela, Assefa, Samuel, Zheng, Stephan, Pfeffer, Avi
The original "Seven Motifs" set forth a roadmap of essential methods for the field of scientific computing, where a motif is an algorithmic method that captures a pattern of computation and data movement. We present the "Nine Motifs of Simulation Intelligence", a roadmap for the development and integration of the essential algorithms necessary for a merger of scientific computing, scientific simulation, and artificial intelligence. We call this merger simulation intelligence (SI), for short. We argue the motifs of simulation intelligence are interconnected and interdependent, much like the components within the layers of an operating system. Using this metaphor, we explore the nature of each layer of the simulation intelligence operating system stack (SI-stack) and the motifs therein: (1) Multi-physics and multi-scale modeling; (2) Surrogate modeling and emulation; (3) Simulation-based inference; (4) Causal modeling and inference; (5) Agent-based modeling; (6) Probabilistic programming; (7) Differentiable programming; (8) Open-ended optimization; (9) Machine programming. We believe coordinated efforts between motifs offers immense opportunity to accelerate scientific discovery, from solving inverse problems in synthetic biology and climate science, to directing nuclear energy experiments and predicting emergent behavior in socioeconomic settings. We elaborate on each layer of the SI-stack, detailing the state-of-art methods, presenting examples to highlight challenges and opportunities, and advocating for specific ways to advance the motifs and the synergies from their combinations. Advancing and integrating these technologies can enable a robust and efficient hypothesis-simulation-analysis type of scientific method, which we introduce with several use-cases for human-machine teaming and automated science.
University campuses are essentially a microcosm of a city. They comprise diverse facilities such as residences, sport centres, lecture theatres, parking spaces, and public transport stops. Universities are under constant pressure to improve efficiencies while offering a better experience to various stakeholders including students, staff, and visitors. Nonetheless, anecdotal evidence indicates that campus assets are not being utilised efficiently, often due to the lack of data collection and analysis, thereby limiting the ability to make informed decisions on the allocation and management of resources. Advances in the Internet of Things (IoT) technologies that can sense and communicate data from the physical world, coupled with data analytics and Artificial intelligence (AI) that can predict usage patterns, have opened up new opportunities for organisations to lower cost and improve user experience. This thesis explores this opportunity via theory and experimentation using UNSW Sydney as a living laboratory.
Algorithmic design in neural architecture search (NAS) has received a lot of attention, aiming to improve performance and reduce computational cost. Despite the great advances made, few authors have proposed to tailor initialization techniques for NAS. However, literature shows that a good initial set of solutions facilitate finding the optima. Therefore, in this study, we propose a data-driven technique to initialize a population-based NAS algorithm. Particularly, we proposed a two-step methodology. First, we perform a calibrated clustering analysis of the search space, and second, we extract the centroids and use them to initialize a NAS algorithm. We benchmark our proposed approach against random and Latin hypercube sampling initialization using three population-based algorithms, namely a genetic algorithm, evolutionary algorithm, and aging evolution, on CIFAR-10. More specifically, we use NAS-Bench-101 to leverage the availability of NAS benchmarks. The results show that compared to random and Latin hypercube sampling, the proposed initialization technique enables achieving significant long-term improvements for two of the search baselines, and sometimes in various search scenarios (various training budgets). Moreover, we analyze the distributions of solutions obtained and find that that the population provided by the data-driven initialization technique enables retrieving local optima (maxima) of high fitness and similar configurations.
Autonomous cyber-physical systems (CPS) can improve safety and efficiency for safety-critical applications, but require rigorous testing before deployment. The complexity of these systems often precludes the use of formal verification and real-world testing can be too dangerous during development. Therefore, simulation-based techniques have been developed that treat the system under test as a black box operating in a simulated environment. Safety validation tasks include finding disturbances in the environment that cause the system to fail (falsification), finding the most-likely failure, and estimating the probability that the system fails. Motivated by the prevalence of safety-critical artificial intelligence, this work provides a survey of state-of-the-art safety validation techniques for CPS with a focus on applied algorithms and their modifications for the safety validation problem. We present and discuss algorithms in the domains of optimization, path planning, reinforcement learning, and importance sampling. Problem decomposition techniques are presented to help scale algorithms to large state spaces, which are common for CPS. A brief overview of safety-critical applications is given, including autonomous vehicles and aircraft collision avoidance systems. Finally, we present a survey of existing academic and commercially available safety validation tools.