Computational Optimizations for Machine Learning

The present book contains the 10 articles finally accepted for publication in the Special Issue “Computational Optimizations for Machine Learning” of the MDPI journal Mathematics, which cover a wide range of topics connected to the theory and applications of machine learning, neural networks and artificial intelligence. These topics include, among others, various types of machine learning classes, such as supervised, unsupervised and reinforcement learning, deep neural networks, convolutional neural networks, GANs, decision trees, linear regression, SVM, K-means clustering, Q-learning, temporal difference, deep adversarial networks and more. It is hoped that the book will be interesting and useful to those developing mathematical algorithms and applications in the domain of artificial intelligence and machine learning as well as for those having the appropriate mathematical background and willing to become familiar with recent advances of machine learning computational optimization mathematics, which has nowadays permeated into almost all sectors of human life and activity

On the Use of Imaging Spectroscopy from Unmanned Aerial Systems (UAS) to Model Yield and Assess Growth Stages of a Broadacre Crop

Snap bean production was valued at $363 million in 2018. Moreover, the increasing need in food production, caused by the exponential increase in population, makes this crop vitally important to study. Traditionally, harvest time determination and yield prediction are performed by collecting limited number of samples. While this approach could work, it is inaccurate, labor-intensive, and based on a small sample size. The ambiguous nature of this approach furthermore leaves the grower with under-ripe and over-mature plants, decreasing the final net profit and the overall quality of the product. A more cost-effective method would be a site-specific approach that would save time and labor for farmers and growers, while providing them with exact detail to when and where to harvest and how much is to be harvested (while forecasting yield). In this study we used hyperspectral (i.e., point-based and image-based), as well as biophysical data, to identify spectral signatures and biophysical attributes that could schedule harvest and forecast yield prior to harvest. Over the past two decades, there have been immense advances in the field of yield and harvest modeling using remote sensing data. Nevertheless, there still exists a wide gap in the literature covering yield and harvest assessment as a function of time using both ground-based and unmanned aerial systems. There is a need for a study focusing on crop-specific yield and harvest assessment using a rapid, affordable system. We hypothesize that a down-sampled multispectral system, tuned with spectral features identified from hyperspectral data, could address the mentioned gaps. Moreover, we hypothesize that the airborne data will contain noise that could negatively impact the performance and the reliability of the utilized models. Thus, We address these knowledge gaps with three objectives as below: 1. Assess yield prediction of snap bean crop using spectral and biophysical data and identify discriminating spectral features via statistical and machine learning approaches. 2. Evaluate snap bean harvest maturity at both the plant growth stage and pod maturity level, by means of spectral and biophysical indicators, and identify the corresponding discriminating spectral features. 3. Assess the feasibility of using a deep learning architecture for reducing noise in the hyperspectral data. In the light of the mentioned objectives, we carried out a greenhouse study in the winter and spring of 2019, where we studied temporal change in spectra and physical attributes of snap-bean crop, from Huntington cultivar, using a handheld spectrometer in the visible- to shortwave-infrared domain (400-2500 nm). Chapter 3 of this dissertation focuses on yield assessment of the greenhouse study. Findings from this best-case scenario yield study showed that the best time to study yield is approximately 20-25 days prior to harvest that would give out the most accurate yield predictions. The proposed approach was able to explain variability as high as R2 = 0.72, with spectral features residing in absorption regions for chlorophyll, protein, lignin, and nitrogen, among others. The captured data from this study contained minimal noise, even in the detector fall-off regions. Moving the focus to harvest maturity assessment, Chapter 4 presents findings from this objective in the greenhouse environment. Our findings showed that four stages of maturity, namely vegetative growth, budding, flowering, and pod formation, are distinguishable with 79% and 78% accuracy, respectively, via the two introduced vegetation indices, as snap-bean growth index (SGI) and normalized difference snap-bean growth index (NDSI), respectively. Moreover, pod-level maturity classification showed that ready-to-harvest and not-ready-to-harvest pods can be separated with 78% accuracy with identified wavelengths residing in green, red edge, and shortwave-infrared regions. Moreover, Chapters 5 and 6 focus on transitioning the learned concepts from the mentioned greenhouse scenario to UAS domain. We transitioned from a handheld spectrometer in the visible to short-wave infrared domain (400-2500 nm) to a UAS-mounted hyperspectral imager in the visible-to-near-infrared region (400-1000 nm). Two years worth of data, at two different geographical locations, were collected in upstate New York and examined for yield modeling and harvest scheduling objectives. For analysis of the collected data, we introduced a feature selection library in Python, named “Jostar”, to identify the most discriminating wavelengths. The findings from the yield modeling UAS study show that pod weight and seed length, as two different yield indicators, can be explained with R2 as high as 0.93 and 0.98, respectively. Identified wavelengths resided in blue, green, red, and red edge regions, and 44-55 days after planting (DAP) showed to be the optimal time for yield assessment. Chapter 6, on the other hand, evaluates maturity assessment, in terms of pod classification, from the UAS perspective. Results from this study showed that the identified features resided in blue, green, red, and red-edge regions, contributing to F1 score as high as 0.91 for differentiating between ready-to-harvest vs. not ready-to-harvest. The identified features from this study is in line with those detected from the UAS yield assessment study. In order to have a parallel comparison of the greenhouse study against the UAS study, we adopted the methodology employed for UAS studies and applied it to the greenhouse studies, in Chapter 7. Since the greenhouse data were captured in the visible-to-shortwave-infrared (400-2500 nm) domain, and the UAS study data were captured in the VNIR (400-1000 nm) domain, we truncated the spectral range of the collected data from the greenhouse study to the VNIR domain. The comparison experiment between the greenhouse study and the UAS studies for yield assessment, at two harvest stages early and late, showed that spectral features in 450-470, 500-520, 650, 700-730 nm regions were repeated on days with highest coefficient of determination. Moreover, 46-48 DAP with high coefficient of determination for yield prediction were repeated in five out of six data sets (two early stages, each three data sets). On the other hand, the harvest maturity comparison between the greenhouse study and the UAS data sets showed that similar identified wavelengths reside in ∼450, ∼530, ∼715, and ∼760 nm regions, with performance metric (F1 score) of 0.78, 0.84, and 0.9 for greenhouse, 2019 UAS, and 2020 UAS data, respectively. However, the incorporated noise in the captured data from the UAS study, along with the high computational cost of the classical mathematical approach employed for denoising hyperspectral data, have inspired us to leverage the computational performance of hyperspectral denoising by assessing the feasibility of transferring the learned concepts to deep learning models. In Chapter 8, we approached hyperspectral denoising in spectral domain (1D fashion) for two types of noise, integrated noise and non-independent and non-identically distributed (non-i.i.d.) noise. We utilized Memory Networks due to their power in image denoising for hyperspectral denoising, introduced a new loss and benchmarked it against several data sets and models. The proposed model, HypeMemNet, ranked first - up to 40% in terms of signal-to-noise ratio (SNR) for resolving integrated noise, and first or second, by a small margin for resolving non-i.i.d. noise. Our findings showed that a proper receptive field and a suitable number of filters are crucial for denoising integrated noise, while parameter size was shown to be of the highest importance for non-i.i.d. noise. Results from the conducted studies provide a comprehensive understanding encompassing yield modeling, harvest scheduling, and hyperspectral denoising. Our findings bode well for transitioning from an expensive hyperspectral imager to a multispectral imager, tuned with the identified bands, as well as employing a rapid deep learning model for hyperspectral denoising

Tracking the Temporal-Evolution of Supernova Bubbles in Numerical Simulations

The study of low-dimensional, noisy manifolds embedded in a higher dimensional space has been extremely useful in many applications, from the chemical analysis of multi-phase flows to simulations of galactic mergers. Building a probabilistic model of the manifolds has helped in describing their essential properties and how they vary in space. However, when the manifold is evolving through time, a joint spatio-temporal modelling is needed, in order to fully comprehend its nature. We propose a first-order Markovian process that propagates the spatial probabilistic model of a manifold at fixed time, to its adjacent temporal stages. The proposed methodology is demonstrated using a particle simulation of an interacting dwarf galaxy to describe the evolution of a cavity generated by a Supernov

Applied Metaheuristic Computing

For decades, Applied Metaheuristic Computing (AMC) has been a prevailing optimization technique for tackling perplexing engineering and business problems, such as scheduling, routing, ordering, bin packing, assignment, facility layout planning, among others. This is partly because the classic exact methods are constrained with prior assumptions, and partly due to the heuristics being problem-dependent and lacking generalization. AMC, on the contrary, guides the course of low-level heuristics to search beyond the local optimality, which impairs the capability of traditional computation methods. This topic series has collected quality papers proposing cutting-edge methodology and innovative applications which drive the advances of AMC

Towards COP27: The Water-Food-Energy Nexus in a Changing Climate in the Middle East and North Africa

Due to its low adaptability to climate change, the MENA region has become a "hot spot". Water scarcity, extreme heat, drought, and crop failure will worsen as the region becomes more urbanized and industrialized. Both water and food scarcity are made worse by civil wars, terrorism, and political and social unrest. It is unclear how climate change will affect the MENA water–food–energy nexus. All of these concerns need to be empirically evaluated and quantified for a full climate change assessment in the region. Policymakers in the MENA region need to be aware of this interconnection between population growth, rapid urbanization, food safety, climate change, and the global goal of lowering greenhouse gas emissions (as planned in COP27). Researchers from a wide range of disciplines have come together in this SI to investigate the connections between water, food, energy, and climate in the region. By assessing the impacts of climate change on hydrological processes, natural disasters, water supply, energy production and demand, and environmental impacts in the region, this SI will aid in implementation of sustainable solutions to these challenges across multiple spatial scales

Efficient Multi-Objective NeuroEvolution in Computer Vision and Applications for Threat Identification

Concealed threat detection is at the heart of critical security systems designed to en- sure public safety. Currently, methods for threat identification and detection are primarily manual, but there is a recent vision to automate the process. Problematically, developing computer vision models capable of operating in a wide range of settings, such as the ones arising in threat detection, is a challenging task involving multiple (and often conflicting) objectives. Automated machine learning (AutoML) is a flourishing field which endeavours to dis- cover and optimise models and hyperparameters autonomously, providing an alternative to classic, effort-intensive hyperparameter search. However, existing approaches typ- ically show significant downsides, like their (1) high computational cost/greediness in resources, (2) limited (or absent) scalability to custom datasets, (3) inability to provide competitive alternatives to expert-designed and heuristic approaches and (4) common consideration of a single objective. Moreover, most existing studies focus on standard classification tasks and thus cannot address a plethora of problems in threat detection and, more broadly, in a wide variety of compelling computer vision scenarios. This thesis leverages state-of-the-art convolutional autoencoders and semantic seg- mentation (Chapter 2) to develop effective multi-objective AutoML strategies for neural architecture search. These strategies are designed for threat detection and provide in- sights into some quintessential computer vision problems. To this end, the thesis first introduces two new models, a practical Multi-Objective Neuroevolutionary approach for Convolutional Autoencoders (MONCAE, Chapter 3) and a Resource-Aware model for Multi-Objective Semantic Segmentation (RAMOSS, Chapter 4). Interestingly, these ap- proaches reached state-of-the-art results using a fraction of computational resources re- quired by competing systems (0.33 GPU days compared to 3150), yet allowing for mul- tiple objectives (e.g., performance and number of parameters) to be simultaneously op- timised. This drastic speed-up was possible through the coalescence of neuroevolution algorithms with a new heuristic technique termed Progressive Stratified Sampling. The presented methods are evaluated on a range of benchmark datasets and then applied to several threat detection problems, outperforming previous attempts in balancing multiple objectives. The final chapter of the thesis focuses on thread detection, exploiting these two mod- els and novel components. It presents first a new modification of specialised proxy scores to be embedded in RAMOSS, enabling us to further accelerate the AutoML process even more drastically while maintaining avant-garde performance (above 85% precision for SIXray). This approach rendered a new automatic evolutionary Multi-objEctive method for cOncealed Weapon detection (MEOW), which outperforms state-of-the-art models for threat detection in key datasets: a gold standard benchmark (SixRay) and a security- critical, proprietary dataset. Finally, the thesis shifts the focus from neural architecture search to identifying the most representative data samples. Specifically, the Multi-objectIve Core-set Discovery through evolutionAry algorithMs in computEr vision approach (MIRA-ME) showcases how the new neural architecture search techniques developed in previous chapters can be adapted to operate on data space. MIRA-ME offers supervised and unsupervised ways to select maximally informative, compact sets of images via dataset compression. This operation can offset the computational cost further (above 90% compression), with a minimal sacrifice in performance (less than 5% for MNIST and less than 13% for SIXray). Overall, this thesis proposes novel model- and data-centred approaches towards a more widespread use of AutoML as an optimal tool for architecture and coreset discov- ery. With the presented and future developments, the work suggests that AutoML can effectively operate in real-time and performance-critical settings such as in threat de- tection, even fostering interpretability by uncovering more parsimonious optimal models. More widely, these approaches have the potential to provide effective solutions to chal- lenging computer vision problems that nowadays are typically considered unfeasible for AutoML settings

Applied Methuerstic computing

For decades, Applied Metaheuristic Computing (AMC) has been a prevailing optimization technique for tackling perplexing engineering and business problems, such as scheduling, routing, ordering, bin packing, assignment, facility layout planning, among others. This is partly because the classic exact methods are constrained with prior assumptions, and partly due to the heuristics being problem-dependent and lacking generalization. AMC, on the contrary, guides the course of low-level heuristics to search beyond the local optimality, which impairs the capability of traditional computation methods. This topic series has collected quality papers proposing cutting-edge methodology and innovative applications which drive the advances of AMC

Systems Engineering: Availability and Reliability

Current trends in Industry 4.0 are largely related to issues of reliability and availability. As a result of these trends and the complexity of engineering systems, research and development in this area needs to focus on new solutions in the integration of intelligent machines or systems, with an emphasis on changes in production processes aimed at increasing production efficiency or equipment reliability. The emergence of innovative technologies and new business models based on innovation, cooperation networks, and the enhancement of endogenous resources is assumed to be a strong contribution to the development of competitive economies all around the world. Innovation and engineering, focused on sustainability, reliability, and availability of resources, have a key role in this context. The scope of this Special Issue is closely associated to that of the ICIE’2020 conference. This conference and journal’s Special Issue is to present current innovations and engineering achievements of top world scientists and industrial practitioners in the thematic areas related to reliability and risk assessment, innovations in maintenance strategies, production process scheduling, management and maintenance or systems analysis, simulation, design and modelling

AVATAR - Machine Learning Pipeline Evaluation Using Surrogate Model

© 2020, The Author(s). The evaluation of machine learning (ML) pipelines is essential during automatic ML pipeline composition and optimisation. The previous methods such as Bayesian-based and genetic-based optimisation, which are implemented in Auto-Weka, Auto-sklearn and TPOT, evaluate pipelines by executing them. Therefore, the pipeline composition and optimisation of these methods requires a tremendous amount of time that prevents them from exploring complex pipelines to find better predictive models. To further explore this research challenge, we have conducted experiments showing that many of the generated pipelines are invalid, and it is unnecessary to execute them to find out whether they are good pipelines. To address this issue, we propose a novel method to evaluate the validity of ML pipelines using a surrogate model (AVATAR). The AVATAR enables to accelerate automatic ML pipeline composition and optimisation by quickly ignoring invalid pipelines. Our experiments show that the AVATAR is more efficient in evaluating complex pipelines in comparison with the traditional evaluation approaches requiring their execution

Recent Advances in Embedded Computing, Intelligence and Applications

The latest proliferation of Internet of Things deployments and edge computing combined with artificial intelligence has led to new exciting application scenarios, where embedded digital devices are essential enablers. Moreover, new powerful and efficient devices are appearing to cope with workloads formerly reserved for the cloud, such as deep learning. These devices allow processing close to where data are generated, avoiding bottlenecks due to communication limitations. The efficient integration of hardware, software and artificial intelligence capabilities deployed in real sensing contexts empowers the edge intelligence paradigm, which will ultimately contribute to the fostering of the offloading processing functionalities to the edge. In this Special Issue, researchers have contributed nine peer-reviewed papers covering a wide range of topics in the area of edge intelligence. Among them are hardware-accelerated implementations of deep neural networks, IoT platforms for extreme edge computing, neuro-evolvable and neuromorphic machine learning, and embedded recommender systems