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Computer Science - Machine Learning, Computer Science - Artificial Intelligence, 90C26, I.2.6, and G.1.6

This document provides a comprehensive guide to hyperparameter tuning using spotPython for scikit-learn, PyTorch, and river. The first part introduces spotPython's surrogate model-based optimization process, while the second part focuses on hyperparameter tuning. Several case studies are presented, including hyperparameter tuning for sklearn models such as Support Vector Classification, Random Forests, Gradient Boosting (XGB), and K-nearest neighbors (KNN), as well as a Hoeffding Adaptive Tree Regressor from river. The integration of spotPython into the PyTorch and PyTorch Lightning training workflow is also discussed. With a hands-on approach and step-by-step explanations, this cookbook serves as a practical starting point for anyone interested in hyperparameter tuning with Python. Highlights include the interplay between Tensorboard, PyTorch Lightning, spotPython, and river. This publication is under development, with updates available on the corresponding webpage.

Computer Science - Machine Learning, Computer Science - Artificial Intelligence, Mathematics - Numerical Analysis, 68T07, A.1, B.8.0, G.1.6, G.4, and I.2.8

The goal of hyperparameter tuning (or hyperparameter optimization) is to optimize the hyperparameters to improve the performance of the machine or deep learning model. spotPython (``Sequential Parameter Optimization Toolbox in Python'') is the Python version of the well-known hyperparameter tuner SPOT, which has been developed in the R programming environment for statistical analysis for over a decade. PyTorch is an optimized tensor library for deep learning using GPUs and CPUs. This document shows how to integrate the spotPython hyperparameter tuner into the PyTorch training workflow. As an example, the results of the CIFAR10 image classifier are used. In addition to an introduction to spotPython, this tutorial also includes a brief comparison with Ray Tune, a Python library for running experiments and tuning hyperparameters. This comparison is based on the PyTorch hyperparameter tuning tutorial. The advantages and disadvantages of both approaches are discussed. We show that spotPython achieves similar or even better results while being more flexible and transparent than Ray Tune.
Comment: Refers to spotPython version 0.2.15

Computer Science - Artificial Intelligence

We have built a novel system for the surveillance of drinking water reservoirs using underwater sensor networks. We implement an innovative AI-based approach to detect, classify and localize underwater events. In this paper, we describe the technology and cognitive AI architecture of the system based on one of the sensor networks, the hydrophone network. We discuss the challenges of installing and using the hydrophone network in a water reservoir where traffic, visitors, and variable water conditions create a complex, varying environment. Our AI solution uses an autoencoder for unsupervised learning of latent encodings for classification and anomaly detection, and time delay estimates for sound localization. Finally, we present the results of experiments carried out in a laboratory pool and the water reservoir and discuss the system's potential.

Computer Science - Machine Learning, Statistics - Machine Learning, 68T07, A.1, B.8.0, G.1.6, G.4, and I.2.8

Machine learning algorithms such as random forests or xgboost are gaining more importance and are increasingly incorporated into production processes in order to enable comprehensive digitization and, if possible, automation of processes. Hyperparameters of these algorithms used have to be set appropriately, which can be referred to as hyperparameter tuning or optimization. Based on the concept of tunability, this article presents an overview of theoretical and practical results for popular machine learning algorithms. This overview is accompanied by an experimental analysis of 30 hyperparameters from six relevant machine learning algorithms. In particular, it provides (i) a survey of important hyperparameters, (ii) two parameter tuning studies, and (iii) one extensive global parameter tuning study, as well as (iv) a new way, based on consensus ranking, to analyze results from multiple algorithms. The R package mlr is used as a uniform interface to the machine learning models. The R package SPOT is used to perform the actual tuning (optimization). All additional code is provided together with this paper.

Computer Science - Robotics, Computer Science - Artificial Intelligence, and I.2.9

Most evolutionary robotics studies focus on evolving some targeted behavior without taking the energy usage into account. This limits the practical value of such systems because energy efficiency is an important property for real-world autonomous robots. In this paper, we mitigate this problem by extending our simulator with a battery model and taking energy consumption into account during fitness evaluations. Using this system we investigate how energy awareness affects the evolution of robots. Since our system is to evolve morphologies as well as controllers, the main research question is twofold: (i) what is the impact on the morphologies of the evolved robots, and (ii) what is the impact on the behavior of the evolved robots if energy consumption is included in the fitness evaluation? The results show that including the energy consumption in the fitness in a multi-objective fashion (by NSGA-II) reduces the average size of robot bodies while at the same time reducing their speed. However, robots generated without size reduction can achieve speeds comparable to robots from the baseline set.

Computer Science - Machine Learning, 68T07, A.1, B.8.0, G.1.6, G.4, and I.2.8

A surrogate model based hyperparameter tuning approach for deep learning is presented. This article demonstrates how the architecture-level parameters (hyperparameters) of deep learning models that were implemented in Keras/tensorflow can be optimized. The implementation of the tuning procedure is 100% accessible from R, the software environment for statistical computing. With a few lines of code, existing R packages (tfruns and SPOT) can be combined to perform hyperparameter tuning. An elementary hyperparameter tuning task (neural network and the MNIST data) is used to exemplify this approach
Comment: version 3

Computer Science - Neural and Evolutionary Computing and Computer Science - Artificial Intelligence

In addition to their undisputed success in solving classical optimization problems, neuroevolutionary and population-based algorithms have become an alternative to standard reinforcement learning methods. However, evolutionary methods often lack the sample efficiency of standard value-based methods that leverage gathered state and value experience. If reinforcement learning for real-world problems with significant resource cost is considered, sample efficiency is essential. The enhancement of evolutionary algorithms with experience exploiting methods is thus desired and promises valuable insights. This work presents a hybrid algorithm that combines topology-changing neuroevolutionary optimization with value-based reinforcement learning. We illustrate how the behavior of policies can be used to create distance and loss functions, which benefit from stored experiences and calculated state values. They allow us to model behavior and perform a directed search in the behavior space by gradient-free evolutionary algorithms and surrogate-based optimization. For this purpose, we consolidate different methods to generate and optimize agent policies, creating a diverse population. We exemplify the performance of our algorithm on standard benchmarks and a purpose-built real-world problem. Our results indicate that combining methods can enhance the sample efficiency and learning speed for evolutionary approaches.

Computer Science - Artificial Intelligence and Mathematics - Optimization and Control

Crises like the COVID-19 pandemic pose a serious challenge to health-care institutions. They need to plan the resources required for handling the increased load, for instance, hospital beds and ventilators. To support the resource planning of local health authorities from the Cologne region, BaBSim.Hospital, a tool for capacity planning based on discrete event simulation, was created. The predictive quality of the simulation is determined by 29 parameters. Reasonable default values of these parameters were obtained in detailed discussions with medical professionals. We aim to investigate and optimize these parameters to improve BaBSim.Hospital. First approaches with "out-of-the-box" optimization algorithms failed. Implementing a surrogate-based optimization approach generated useful results in a reasonable time. To understand the behavior of the algorithm and to get valuable insights into the fitness landscape, an in-depth sensitivity analysis was performed. The sensitivity analysis is crucial for the optimization process because it allows focusing the optimization on the most important parameters. We illustrate how this reduces the problem dimension without compromising the resulting accuracy. The presented approach is applicable to many other real-world problems, e.g., the development of new elevator systems to cover the last mile or simulation of student flow in academic study periods.

Computer Science - Artificial Intelligence and Computer Science - Neural and Evolutionary Computing

Drinking water supply and distribution systems are critical infrastructure that has to be well maintained for the safety of the public. One important tool in the maintenance of water distribution systems (WDS) is flushing. Flushing is a process carried out in a periodic fashion to clean sediments and other contaminants in the water pipes. Given the different topographies, water composition and supply demand between WDS no single flushing strategy is suitable for all of them. In this report a non-exhaustive overview of optimization methods for flushing in WDS is given. Implementation of optimization methods for the flushing procedure and the flushing planing are presented. Suggestions are given as a possible option to optimise existing flushing planing frameworks.

Statistics - Applications, Computer Science - Artificial Intelligence, 68T20, I.2.1, J.3, I.2.6, I.2.8, J.2, K.4.1, and K.4.0

We present a resource-planning tool for hospitals under special consideration of the COVID-19 pandemic, called babsim.hospital. It provides many advantages for crisis teams, e.g., comparison with their own local planning, simulation of local events, simulation of several scenarios (worst / best case). There are benefits for medical professionals, e.g, analysis of the pandemic at local, regional, state and federal level, the consideration of special risk groups, tools for validating the length of stays and transition probabilities. Finally, there are potential advantages for administration, management, e.g., assessment of the situation of individual hospitals taking local events into account, consideration of relevant resources such as beds, ventilators, rooms, protective clothing, and personnel planning, e.g., medical and nursing staff. babsim.hospital combines simulation, optimization, statistics, and artificial intelligence processes in a very efficient way. The core is a discrete, event-based simulation model.

Computer Science - Artificial Intelligence, Computer Science - Distributed, Parallel, and Cluster Computing, and Computer Science - Software Engineering

This paper presents the cognitive module of the cognitive architecture for artificial intelligence (CAAI) in cyber-physical production systems (CPPS). The goal of this architecture is to reduce the implementation effort of artificial intelligence (AI) algorithms in CPPS. Declarative user goals and the provided algorithm-knowledge base allow the dynamic pipeline orchestration and configuration. A big data platform (BDP) instantiates the pipelines and monitors the CPPS performance for further evaluation through the cognitive module. Thus, the cognitive module is able to select feasible and robust configurations for process pipelines in varying use cases. Furthermore, it automatically adapts the models and algorithms based on model quality and resource consumption. The cognitive module also instantiates additional pipelines to test algorithms from different classes. CAAI relies on well-defined interfaces to enable the integration of additional modules and reduce implementation effort. Finally, an implementation based on Docker, Kubernetes, and Kafka for the virtualization and orchestration of the individual modules and as messaging-technology for module communication is used to evaluate a real-world use case.

Statistics - Computation, Computer Science - Machine Learning, and Electrical Engineering and Systems Science - Signal Processing

EventDetectR: An efficient Event Detection System (EDS) capable of detecting unexpected water quality conditions. This approach uses multiple algorithms to model the relationship between various multivariate water quality signals. Then the residuals of the models were utilized in constructing the event detection algorithm, which provides a continuous measure of the probability of an event at every time step. The proposed framework was tested for water contamination events with industrial data from automated water quality sensors. The results showed that the framework is reliable with better performance and is highly suitable for event detection.
Comment: 22 pages

Electrical Engineering and Systems Science - Systems and Control

Sensor placement for contaminant detection in water distribution systems (WDS) has become a topic of great interest aiming to secure a population's water supply. Several approaches can be found in the literature with differences ranging from the objective selected to optimize to the methods implemented to solve the optimization problem. In this work we aim to give an overview of the current work in sensor placement with focus on contaminant detection for WDS. We present some of the objectives for which the sensor placement problem is defined along with common optimization algorithms and Toolkits available to help with algorithm testing and comparison.