Particle Swarm Optimization

Particle swarm optimization (PSO) is a population based stochastic optimization technique influenced by the social behavior of bird flocking or fish schooling.PSO shares many similarities with evolutionary computation techniques such as Genetic Algorithms (GA). The system is initialized with a population of random solutions and searches for optima by updating generations. However, unlike GA, PSO has no evolution operators such as crossover and mutation. In PSO, the potential solutions, called particles, fly through the problem space by following the current optimum particles. This book represents the contributions of the top researchers in this field and will serve as a valuable tool for professionals in this interdisciplinary field

Population Annealing Monte Carlo Studies of Ising Spin Glasses

Spin glasses are spin-lattice models with quenched disorder and frustration. The mean field long-range Sherrington-Kirkpatrick (SK) model was solved by Parisi and displays replica symmetry breaking (RSB), but the more realistic short-range Edwards-Anderson (EA) model is still not solved. Whether the EA spin glass phase has many pairs of pure states as described by the RSB scenario or a single pair of pure states as described by two-state scenarios such as the droplet/scaling picture is not known yet. Rigorous analytical calculations of the EA model are not available at present and efficient numerical simulations of spin glasses are crucial in making progresses in the field. In addition to being a prototypical example of a classical disordered system with many interesting equilibrium as well as nonequilibrium properties, spin glasses are of great importance across multiple fields from neural networks, various combinatorial optimization problems to benchmark tests of quantum annealing machines. Therefore, it is important to gain a better understanding of the spin glass models. In an effort to do so, our work has two main parts, one is to develop an efficient algorithm called population annealing Monte Carlo and the other is to explore the physics of spin glasses using thermal boundary conditions. We present a full characterization of the population annealing algorithm focusing on its equilibration properties and make a systematic comparison of population annealing with two well established simulation methods, parallel tempering Monte Carlo and simulated annealing Monte Carlo. We show numerically that population annealing is similar in performance to parallel tempering, each has its own strengths and weaknesses and both algorithms outperform simulated annealing in combinatorial optimization problems. In thermal boundary conditions, all eight combinations of periodic vs antiperiodic boundary conditions in the three spatial directions appear in the ensemble with their respective Boltzmann weights, thus minimizing finite-size effects due to domain walls. With thermal boundary conditions and sample stiffness extrapolation, we show that our data is consistent with a two-state picture, not the RSB picture for the EA model. Thermal boundary conditions also provides an elegant way to study the phenomena of temperature chaos and bond chaos, and our results are again in agreement with the droplet/scaling scenario

Ground state determination, ground state preserving fit for cluster expansion and their integration for robust CE construction

Thesis: Ph. D., Massachusetts Institute of Technology, Department of Materials Science and Engineering, February 2018.Cataloged from PDF version of thesis.Includes bibliographical references (pages 106-111).In this thesis, we propose strategies to solve the general ground state problem for arbitrary effective cluster interactions and construct ground state preserving cluster expansions. A full mathematical definition of our problem has been formalized to illustrate its generality and clarify our discussion. We review previous methods in material science community: Monte Carlo based method, configurational polytope method, and basic ray method. Further, we investigate the connection of the ground state problem with deeper mathematical results about computational complexity and NP-hard combinatorial optimization (MAX-SAT). We have proposed a general scheme, upper bound and lower bound calculation to approach this problem. Firstly, based on the traditional configurational polytope method, we have proposed a method called cluster tree optimization method, which eliminates the necessity of introducing an exponential number of variables to counter frustration, and thus significantly improves tractability. Secondly, based on convex optimization and finite optimization without periodicity, we have introduced a beautiful MAX-MIN method to refine lower bound calculation. Finally, we present a systematic and mathematically sound method to obtain cluster expansion models that are guaranteed to preserve the ground states of the reference data.by Wenxuan Huang.Ph. D

Quantum-classical generative models for machine learning

The combination of quantum and classical computational resources towards more effective algorithms is one of the most promising research directions in computer science. In such a hybrid framework, existing quantum computers can be used to their fullest extent and for practical applications. Generative modeling is one of the applications that could benefit the most, either by speeding up the underlying sampling methods or by unlocking more general models. In this work, we design a number of hybrid generative models and validate them on real hardware and datasets. The quantum-assisted Boltzmann machine is trained to generate realistic artificial images on quantum annealers. Several challenges in state-of-the-art annealers shall be overcome before one can assess their actual performance. We attack some of the most pressing challenges such as the sparse qubit-to-qubit connectivity, the unknown effective-temperature, and the noise on the control parameters. In order to handle datasets of realistic size and complexity, we include latent variables and obtain a more general model called the quantum-assisted Helmholtz machine. In the context of gate-based computers, the quantum circuit Born machine is trained to encode a target probability distribution in the wavefunction of a set of qubits. We implement this model on a trapped ion computer using low-depth circuits and native gates. We use the generative modeling performance on the canonical Bars-and-Stripes dataset to design a benchmark for hybrid systems. It is reasonable to expect that quantum data, i.e., datasets of wavefunctions, will become available in the future. We derive a quantum generative adversarial network that works with quantum data. Here, two circuits are optimized in tandem: one tries to generate suitable quantum states, the other tries to distinguish between target and generated states

A review on probabilistic graphical models in evolutionary computation

Thanks to their inherent properties, probabilistic graphical models are one of the prime candidates for machine learning and decision making tasks especially in uncertain domains. Their capabilities, like representation, inference and learning, if used effectively, can greatly help to build intelligent systems that are able to act accordingly in different problem domains. Evolutionary algorithms is one such discipline that has employed probabilistic graphical models to improve the search for optimal solutions in complex problems. This paper shows how probabilistic graphical models have been used in evolutionary algorithms to improve their performance in solving complex problems. Specifically, we give a survey of probabilistic model building-based evolutionary algorithms, called estimation of distribution algorithms, and compare different methods for probabilistic modeling in these algorithms

Applications of Spin Glasses across Disciplines: From Complex Systems to Quantum Computing and Algorithm Development

The main subjects of this dissertation are spin glass applications in other disciplines and spin glass algorithms. Spin glasses are magnetic systems with disorder and frustration, and the essential physics of spin glasses lies not in the details of their microscopic interactions but rather in the competition between quenched ferromagnetic and antiferromagnetic interactions. Concepts that arose in the study of spin glasses have led to applications in areas as diverse as computer science, biology, and finance, as well as a variety of others. In the first part of this dissertation I study the equilibrium and non-equilibrium properties of Boolean decision problems with competing interactions on scale-free networks in an external bias (a magnetic field). First, I perform finite-temperature Monte Carlo simulations in a field to test the robustness of the spin-glass phase and I show that the system has a spin-glass phase in a field, i.e., it exhibits a de Almeida–Thouless line. Then I study avalanche distributions when the system is driven by a field at zero temperature to test whether the system displays self-organized criticality. The numerical results suggest that avalanches (damage) can spread across the entire system with nonzero probability when the decay exponent of the interaction degree is less than or equal to 2, i.e., that Boolean decision problems on scale-free networks with competing interactions can be fragile when the system is not in thermal equilibrium. In the second part of this dissertation I discuss the best-case performance of quantum annealers on native spin-glass benchmarks, i.e., how chaos can affect success probabilities. We perform classical parallel-tempering Monte Carlo simulations of the archetypal benchmark problem, an Ising spin glass, on the native chip topology. Using realistic uncorrelated noise models for the D-Wave Two quantum annealer, I study the best-case resilience, or the probability that the ground-state configuration is not affected by random fields and random-bond fluctuations found on the chip. We compute the upper-bound success probabilities for different instance classes based on these simple error models, and I present strategies for developing robust and hard benchmark instances. In the third part of this dissertation I present a cluster algorithm for Ising spin glasses that works in any space dimension and speeds up thermalization by several orders of magnitude at temperatures where thermalization is typically difficult. Our isoenergetic cluster moves are based on the Houdayer cluster algorithm for two-dimensional spin glasses and lead to a speedup over conventional state-of-the-art methods that increases with the system size. We illustrate the benefits (improved thermalization and achievement of more equiprobable sampling of ground states) of the isoenergetic cluster moves in two and three space dimensions, as well as in the nonplanar Chimera topology found in the D-Wave quantum annealing machine. Finally, I study the thermodynamic properties of the two-dimensional Edwards-Anderson Ising spin-glass model on a square lattice using the tensor renormalization group method based on a higher-order singular-value decomposition. Our estimates of the partition function without a high precision data type lead to negative values at very low temperatures, thus illustrating that the method can not be applied to frustrated magnetic systems

Unconventional computing platforms and nature-inspired methods for solving hard optimisation problems

The search for novel hardware beyond the traditional von Neumann architecture has given rise to a modern area of unconventional computing requiring the efforts of mathematicians, physicists and engineers. Many analogue physical systems, including networks of nonlinear oscillators, lasers, condensates, and superconducting qubits, are proposed and realised to address challenging computational problems from various areas of social and physical sciences and technology. Understanding the underlying physical process by which the system finds the solutions to such problems often leads to new optimisation algorithms. This thesis focuses on studying gain-dissipative systems and nature-inspired algorithms that form a hybrid architecture that may soon rival classical hardware. Chapter 1 lays the necessary foundation and explains various interdisciplinary terms that are used throughout the dissertation. In particular, connections between the optimisation problems and spin Hamiltonians are established, their computational complexity classes are explained, and the most prominent physical platforms for spin Hamiltonian implementation are reviewed. Chapter 2 demonstrates a large variety of behaviours encapsulated in networks of polariton condensates, which are a vivid example of a gain-dissipative system we use throughout the thesis. We explain how the variations of experimentally tunable parameters allow the networks of polariton condensates to represent different oscillator models. We derive analytic expressions for the interactions between two spatially separated polariton condensates and show various synchronisation regimes for periodic chains of condensates. An odd number of condensates at the vertices of a regular polygon leads to a spontaneous formation of a giant multiply-quantised vortex at the centre of a polygon. Numerical simulations of all studied configurations of polariton condensates are performed with a mean-field approach with some theoretically proposed physical phenomena supported by the relevant experiments. Chapter 3 examines the potential of polariton graphs to find the low-energy minima of the spin Hamiltonians. By associating a spin with a condensate phase, the minima of the XY model are achieved for simple configurations of spatially-interacting polariton condensates. We argue that such implementation of gain-dissipative simulators limits their applicability to the classes of easily solvable problems since the parameters of a particular Hamiltonian depend on the node occupancies that are not known a priori. To overcome this difficulty, we propose to adjust pumping intensities and coupling strengths dynamically. We further theoretically suggest how the discrete Ising and $n$-state planar Potts models with or without external fields can be simulated using gain-dissipative platforms. The underlying operational principle originates from a combination of resonant and non-resonant pumping. Spatial anisotropy of pump and dissipation profiles enables an effective control of the sign and intensity of the coupling strength between any two neighbouring sites, which we demonstrate with a two dimensional square lattice of polariton condensates. For an accurate minimisation of discrete and continuous spin Hamiltonians, we propose a fully controllable polaritonic XY-Ising machine based on a network of geometrically isolated polariton condensates. In Chapter 4, we look at classical computing rivals and study nature-inspired methods for optimising spin Hamiltonians. Based on the operational principles of gain-dissipative machines, we develop a novel class of gain-dissipative algorithms for the optimisation of discrete and continuous problems and show its performance in comparison with traditional optimisation techniques. Besides looking at traditional heuristic methods for Ising minimisation, such as the Hopfield-Tank neural networks and parallel tempering, we consider a recent physics-inspired algorithm, namely chaotic amplitude control, and exact commercial solver, Gurobi. For a proper evaluation of physical simulators, we further discuss the importance of detecting easy instances of hard combinatorial optimisation problems. The Ising model for certain interaction matrices, that are commonly used for evaluating the performance of unconventional computing machines and assumed to be exponentially hard, is shown to be solvable in polynomial time including the Mobius ladder graphs and Mattis spin glasses. In Chapter 5 we discuss possible future applications of unconventional computing platforms including emulation of search algorithms such as PageRank, realisation of a proof-of-work protocol for blockchain technology, and reservoir computing