Nature-Inspired Topology Optimization of Recurrent Neural Networks

Hand-crafting effective and efficient structures for recurrent neural networks (RNNs) is a difficult, expensive, and time-consuming process. To address this challenge, this work presents three nature-inspired (NI) algorithms for neural architecture search (NAS), introducing the subfield of nature-inspired neural architecture search (NI-NAS). These algorithms, based on ant colony optimization (ACO), progress from memory cell structure optimization, to bounded discrete-space architecture optimization, and finally to unbounded continuous-space architecture optimization. These methods were applied to real-world data sets representing challenging engineering problems, such as data from a coal-fired power plant, wind-turbine power generators, and aircraft flight data recorder (FDR) data. Initial work utilized ACO to select optimal connections inside recurrent long short-term memory (LSTM) cell structures. Viewing each LSTM cell as a graph, ants would choose potential input and output connections based on the pheromones previously laid down over those connections as done in a standard ACO search. However, this approach did not optimize the overall network of the RNN, particularly its synaptic parameters. I addressed this issue by introducing the Ant-based Neural Topology Search (ANTS) algorithm to directly optimize the entire RNN topology. ANTS utilizes a discrete-space superstructure representing a completely connected RNN where each node is connected to every other node, forming an extremely dense mesh of edges and recurrent edges. ANTS can select from a library of modern RNN memory cells. ACO agents (ants), in this thesis, build RNNs from the superstructure determined by pheromones laid out on the superstructure\u27s connections. Backpropagation is then used to train the generated RNNs in an asynchronous parallel computing design to accelerate the optimization process. The pheromone update depends on the evaluation of the tested RNN against a population of best performing RNNs. Several variations of the core algorithm was investigated to test several designed heuristics for ANTS and evaluate their efficacy in the formation of sparser synaptic connectivity patterns. This was done primarily by formulating different functions that drive the underlying pheromone simulation process as well as by introducing ant agents with 3 specialized roles (inspired by real-world ants) to construct the RNN structure. This characterization of the agents enables ants to focus on specific structure building roles. ``Communal intelligence\u27\u27 was also incorporated, where the best set of weights was across locally-trained RNN candidates for weight initialization, reducing the number of backpropagation epochs required to train each candidate RNN and speeding up the overall search process. However, the growth of the superstructure increased by an order of magnitude, as more input and deeper structures are utilized, proving to be one limitation of the proposed procedure. The limitation of ANTS motivated the development of the continuous ANTS algorithm (CANTS), which works with a continuous search space for any fixed network topology. In this process, ants moving within a (temporally-arranged) set of continuous/real-valued planes based on proximity and density of pheromone placements. The motion of the ants over these continuous planes, in a sense, more closely mimicks how actual ants move in the real world. Ants traverse a 3-dimensional space from the inputs to the outputs and across time lags. This continuous search space frees the ant agents from the limitations imposed by ANTS\u27 discrete massively connected superstructure, making the structural options unbounded when mapping the movements of ants through the 3D continuous space to a neural architecture graph. In addition, CANTS has fewer hyperparameters to tune than ANTS, which had five potential heuristic components that each had their own unique set of hyperparameters, as well as requiring the user to define the maximum recurrent depth, number of layers and nodes within each layer. CANTS only requires specifying the number ants and their pheromone sensing radius. The three applied strategies yielded three important successes. Applying ACO on optimizing LSTMs yielded a 1.34\% performance enhancement and more than 55% sparser structures (which is useful for speeding up inference). ANTS outperformed the NAS benchmark, NEAT, and the NAS state-of-the-art algorithm, EXAMM. CANTS showed competitive results to EXAMM and competed with ANTS while offering sparser structures, offering a promising path forward for optimizing (temporal) neural models with nature-inspired metaheuristics based the metaphor of ants

Metaheuristic design of feedforward neural networks: a review of two decades of research

Over the past two decades, the feedforward neural network (FNN) optimization has been a key interest among the researchers and practitioners of multiple disciplines. The FNN optimization is often viewed from the various perspectives: the optimization of weights, network architecture, activation nodes, learning parameters, learning environment, etc. Researchers adopted such different viewpoints mainly to improve the FNN's generalization ability. The gradient-descent algorithm such as backpropagation has been widely applied to optimize the FNNs. Its success is evident from the FNN's application to numerous real-world problems. However, due to the limitations of the gradient-based optimization methods, the metaheuristic algorithms including the evolutionary algorithms, swarm intelligence, etc., are still being widely explored by the researchers aiming to obtain generalized FNN for a given problem. This article attempts to summarize a broad spectrum of FNN optimization methodologies including conventional and metaheuristic approaches. This article also tries to connect various research directions emerged out of the FNN optimization practices, such as evolving neural network (NN), cooperative coevolution NN, complex-valued NN, deep learning, extreme learning machine, quantum NN, etc. Additionally, it provides interesting research challenges for future research to cope-up with the present information processing era

Benchmarking Inverse Optimization Algorithms for Molecular Materials Discovery

Machine learning-based molecular materials discovery has attracted enormous attention recently due to its flexibility in dealing with black box models. Yet, metaheuristic algorithms are not as widely applied to materials discovery applications. We comprehensively compare 11 different optimization algorithms for molecular materials design with targeted properties. These algorithms include Bayesian Optimization (BO) and multiple metaheuristic algorithms. We performed 5000 material evaluations repeated 5 times with different randomized initialization to optimize defined target properties. By maximizing the bulk modulus and minimizing the Fermi energy through perturbing parameterized molecular representations, we estimated the unique counts of molecular materials, mean density scan of the objectives space, mean objectives, and frequency distributed over the materials' representations and objectives. GA, GWO, and BWO exhibit higher variances for materials count, density scan, and mean objectives; and BO and Runge Kutta optimization (RUN) display generally lower variances. These results unveil that nature-inspired algorithms contain more uncertainties in the defined molecular design tasks, which correspond to their dependency on multiple hyperparameters. RUN exhibits higher mean objectives whereas BO displayed low mean objectives compared with other benchmarked methods. Combined with materials count and density scan, we propose that BO strives to approximate a more accurate surrogate of the design space by sampling more molecular materials and hence have lower mean objectives, yet RUN will repeatedly sample the targeted molecules with higher objective values. Our work shed light on automated digital molecular materials design and is expected to elicit future studies on materials optimization such as composite and alloy design based on specific desired properties.Comment: 15 pages, 5 figures, for the main manuscrip

Optimisation for Optical Data Centre Switching and Networking with Artificial Intelligence

Cloud and cluster computing platforms have become standard across almost every domain of business, and their scale quickly approaches $\mathbf{O}(10^6)$ servers in a single warehouse. However, the tier-based opto-electronically packet switched network infrastructure that is standard across these systems gives way to several scalability bottlenecks including resource fragmentation and high energy requirements. Experimental results show that optical circuit switched networks pose a promising alternative that could avoid these. However, optimality challenges are encountered at realistic commercial scales. Where exhaustive optimisation techniques are not applicable for problems at the scale of Cloud-scale computer networks, and expert-designed heuristics are performance-limited and typically biased in their design, artificial intelligence can discover more scalable and better performing optimisation strategies. This thesis demonstrates these benefits through experimental and theoretical work spanning all of component, system and commercial optimisation problems which stand in the way of practical Cloud-scale computer network systems. Firstly, optical components are optimised to gate in $\approx 500 ps$ and are demonstrated in a proof-of-concept switching architecture for optical data centres with better wavelength and component scalability than previous demonstrations. Secondly, network-aware resource allocation schemes for optically composable data centres are learnt end-to-end with deep reinforcement learning and graph neural networks, where $3\times$ less networking resources are required to achieve the same resource efficiency compared to conventional methods. Finally, a deep reinforcement learning based method for optimising PID-control parameters is presented which generates tailored parameters for unseen devices in $\mathbf{O}(10^{-3}) s$. This method is demonstrated on a market leading optical switching product based on piezoelectric actuation, where switching speed is improved $>20\%$ with no compromise to optical loss and the manufacturing yield of actuators is improved. This method was licensed to and integrated within the manufacturing pipeline of this company. As such, crucial public and private infrastructure utilising these products will benefit from this work

Machine Learning for Unmanned Aerial System (UAS) Networking

Fueled by the advancement of 5G new radio (5G NR), rapid development has occurred in many fields. Compared with the conventional approaches, beamforming and network slicing enable 5G NR to have ten times decrease in latency, connection density, and experienced throughput than 4G long term evolution (4G LTE). These advantages pave the way for the evolution of Cyber-physical Systems (CPS) on a large scale. The reduction of consumption, the advancement of control engineering, and the simplification of Unmanned Aircraft System (UAS) enable the UAS networking deployment on a large scale to become feasible. The UAS networking can finish multiple complex missions simultaneously. However, the limitations of the conventional approaches are still a big challenge to make a trade-off between the massive management and efficient networking on a large scale. With 5G NR and machine learning, in this dissertation, my contributions can be summarized as the following: I proposed a novel Optimized Ad-hoc On-demand Distance Vector (OAODV) routing protocol to improve the throughput of Intra UAS networking. The novel routing protocol can reduce the system overhead and be efficient. To improve the security, I proposed a blockchain scheme to mitigate the malicious basestations for cellular connected UAS networking and a proof-of-traffic (PoT) to improve the efficiency of blockchain for UAS networking on a large scale. Inspired by the biological cell paradigm, I proposed the cell wall routing protocols for heterogeneous UAS networking. With 5G NR, the inter connections between UAS networking can strengthen the throughput and elasticity of UAS networking. With machine learning, the routing schedulings for intra- and inter- UAS networking can enhance the throughput of UAS networking on a large scale. The inter UAS networking can achieve the max-min throughput globally edge coloring. I leveraged the upper and lower bound to accelerate the optimization of edge coloring. This dissertation paves a way regarding UAS networking in the integration of CPS and machine learning. The UAS networking can achieve outstanding performance in a decentralized architecture. Concurrently, this dissertation gives insights into UAS networking on a large scale. These are fundamental to integrating UAS and National Aerial System (NAS), critical to aviation in the operated and unmanned fields. The dissertation provides novel approaches for the promotion of UAS networking on a large scale. The proposed approaches extend the state-of-the-art of UAS networking in a decentralized architecture. All the alterations can contribute to the establishment of UAS networking with CPS