Network Partitioning in Distributed Agent-Based Models

Agent-Based Models (ABMs) are an emerging simulation paradigm for modeling complex systems, comprised of autonomous, possibly heterogeneous, interacting agents. The utility of ABMs lies in their ability to represent such complex systems as self-organizing networks of agents. Modeling and understanding the behavior of complex systems usually occurs at large and representative scales, and often obtaining and visualizing of simulation results in real-time is critical. The real-time requirement necessitates the use of in-memory computing, as it is difficult and challenging to handle the latency and unpredictability of disk accesses. Combining this observation with the scale requirement emphasizes the need to use parallel and distributed computing platforms, such as MPI-enabled CPU clusters. Consequently, the agent population must be partitioned across different CPUs in a cluster. Further, the typically high volume of interactions among agents can quickly become a significant bottleneck for real-time or large-scale simulations. The problem is exacerbated if the underlying ABM network is dynamic and the inter-process communication evolves over the course of the simulation. Therefore, it is critical to develop topology-aware partitioning mechanisms to support such large simulations. In this dissertation, we demonstrate that distributed agent-based model simulations benefit from the use of graph partitioning algorithms that involve a local, neighborhood-based perspective. Such methods do not rely on global accesses to the network and thus are more scalable. In addition, we propose two partitioning schemes that consider the bottom-up individual-centric nature of agent-based modeling. The First technique utilizes label-propagation community detection to partition the dynamic agent network of an ABM. We propose a latency-hiding, seamless integration of community detection in the dynamics of a distributed ABM. To achieve this integration, we exploit the similarity in the process flow patterns of a label-propagation community-detection algorithm and self-organizing ABMs. In the second partitioning scheme, we apply a combination of the Guided Local Search (GLS) and Fast Local Search (FLS) metaheuristics in the context of graph partitioning. The main driving principle of GLS is the dynamic modi?cation of the objective function to escape local optima. The algorithm augments the objective of a local search, thereby transforming the landscape structure and escaping a local optimum. FLS is a local search heuristic algorithm that is aimed at reducing the search space of the main search algorithm. It breaks down the space into sub-neighborhoods such that inactive sub-neighborhoods are removed from the search process. The combination of GLS and FLS allowed us to design a graph partitioning algorithm that is both scalable and sensitive to the inherent modularity of real-world networks

Coherence in Large-Scale Networks: Dimension-Dependent Limitations of Local Feedback

We consider distributed consensus and vehicular formation control problems. Specifically we address the question of whether local feedback is sufficient to maintain coherence in large-scale networks subject to stochastic disturbances. We define macroscopic performance measures which are global quantities that capture the notion of coherence; a notion of global order that quantifies how closely the formation resembles a solid object. We consider how these measures scale asymptotically with network size in the topologies of regular lattices in 1, 2 and higher dimensions, with vehicular platoons corresponding to the 1 dimensional case. A common phenomenon appears where a higher spatial dimension implies a more favorable scaling of coherence measures, with a dimensions of 3 being necessary to achieve coherence in consensus and vehicular formations under certain conditions. In particular, we show that it is impossible to have large coherent one dimensional vehicular platoons with only local feedback. We analyze these effects in terms of the underlying energetic modes of motion, showing that they take the form of large temporal and spatial scales resulting in an accordion-like motion of formations. A conclusion can be drawn that in low spatial dimensions, local feedback is unable to regulate large-scale disturbances, but it can in higher spatial dimensions. This phenomenon is distinct from, and unrelated to string instability issues which are commonly encountered in control problems for automated highways.Comment: To appear in IEEE Trans. Automat. Control; 15 pages, 2 figure

Markov field models of molecular kinetics

Computer simulations such as molecular dynamics (MD) provide a possible means to understand protein dynamics and mechanisms on an atomistic scale. The resulting simulation data can be analyzed with Markov state models (MSMs), yielding a quantitative kinetic model that, e.g., encodes state populations and transition rates. However, the larger an investigated system, the more data is required to estimate a valid kinetic model. In this work, we show that this scaling problem can be escaped when decomposing a system into smaller ones, leveraging weak couplings between local domains. Our approach, termed independent Markov decomposition (IMD), is a first-order approximation neglecting couplings, i.e., it represents a decomposition of the underlying global dynamics into a set of independent local ones. We demonstrate that for truly independent systems, IMD can reduce the sampling by three orders of magnitude. IMD is applied to two biomolecular systems. First, synaptotagmin-1 is analyzed, a rapid calcium switch from the neurotransmitter release machinery. Within its C2A domain, local conformational switches are identified and modeled with independent MSMs, shedding light on the mechanism of its calcium-mediated activation. Second, the catalytic site of the serine protease TMPRSS2 is analyzed with a local drug-binding model. Equilibrium populations of different drug-binding modes are derived for three inhibitors, mirroring experimentally determined drug efficiencies. IMD is subsequently extended to an end-to-end deep learning framework called iVAMPnets, which learns a domain decomposition from simulation data and simultaneously models the kinetics in the local domains. We finally classify IMD and iVAMPnets as Markov field models (MFM), which we define as a class of models that describe dynamics by decomposing systems into local domains. Overall, this thesis introduces a local approach to Markov modeling that enables to quantitatively assess the kinetics of large macromolecular complexes, opening up possibilities to tackle current and future computational molecular biology questions

A survey of statistical network models

Networks are ubiquitous in science and have become a focal point for discussion in everyday life. Formal statistical models for the analysis of network data have emerged as a major topic of interest in diverse areas of study, and most of these involve a form of graphical representation. Probability models on graphs date back to 1959. Along with empirical studies in social psychology and sociology from the 1960s, these early works generated an active network community and a substantial literature in the 1970s. This effort moved into the statistical literature in the late 1970s and 1980s, and the past decade has seen a burgeoning network literature in statistical physics and computer science. The growth of the World Wide Web and the emergence of online networking communities such as Facebook, MySpace, and LinkedIn, and a host of more specialized professional network communities has intensified interest in the study of networks and network data. Our goal in this review is to provide the reader with an entry point to this burgeoning literature. We begin with an overview of the historical development of statistical network modeling and then we introduce a number of examples that have been studied in the network literature. Our subsequent discussion focuses on a number of prominent static and dynamic network models and their interconnections. We emphasize formal model descriptions, and pay special attention to the interpretation of parameters and their estimation. We end with a description of some open problems and challenges for machine learning and statistics.Comment: 96 pages, 14 figures, 333 reference

Information Theory and Cooperative Control in Networked Multi-Agent Systems with Applications to Smart Grid

This dissertation focuses on information theoretic aspects of and cooperative control techniques in networked multi-agent systems (NMAS) with communication constraints. In the first part of the dissertation, information theoretic limitations of tracking problems in networked control systems, especially leader-follower systems with communication constraints, are studied. Necessary conditions on the data rate of each communication link for tracking of the leader-follower systems are provided. By considering the forward and feedback channels as one cascade channel, we also provide a lower bound for the data rate of the cascade channel for the system to track a reference signal such that the tracking error has finite second moment. Finally, the aforementioned results are extended to the case in which the leader system and follower system have different system models. In the second part, we propose an easily scalable hierarchical decision-making and control architecture for smart grid with communication constraints in which distributed customers equipped with renewable distributed generation (RDG) interact and trade energy in the grid. We introduce the key components and their interactions in the proposed control architecture and discuss the design of distributed controllers which deal with short-term and long-term grid stability, power load balancing and energy routing. At microgrid level, under the assumption of user cooperation and inter-user communications, we propose a distributed networked control strategy to solve the demand-side management problem in microgrids. Moreover, by considering communication delays between users and microgrid central controller, we propose a distributed networked control strategy with prediction to solve the demand-side management problem with communication delays. In the third part, we consider the disturbance attenuation and stabilization problem in networked control systems. To be specific, we consider the string stability in a large group of interconnected systems over a communication network. Its potential applications could be found in formation tracking control in groups of robots, as well as uncertainty reduction and disturbance attenuation in smart grid. We propose a leader-following consensus protocol for such interconnected systems and derive the sufficient conditions, in terms of communication topology and control parameters, for string stability. Simulation results and performance in terms of disturbance propagation are also given. In the fourth part, we consider distributed tracking and consensus in networked multi-agent systems with noisy time-varying graphs and incomplete data. In particular, a distributed tracking with consensus algorithm is developed for the space-object tracking with a satellite surveillance network. We also intend to investigate the possible application of such methods in smart grid networks. Later, conditions for achieving distributed consensus are discussed and the rate of convergence is quantified for noisy time-varying graphs with incomplete data. We also provide detailed simulation results and performance comparison of the proposed distributed tracking with consensus algorithm in the case of space-object tracking problem and that of distributed local Kalman filtering with centralized fusion and centralized Kalman filter. The information theoretic limitations developed in the first part of this dissertation provide guildlines for design and analysis of tracking problems in networked control systems. The results reveal the mutual interaction and joint application of information theory and control theory in networked control systems. Second, the proposed architectures and approaches enable scalability in smart grid design and allow resource pooling among distributed energy resources (DER) so that the grid stability and optimality is maintained. The proposed distributed networked control strategy with prediction provides an approach for cooperative control at RDG-equipped customers within a self-contained microgrid with different feedback delays. Our string stability analysis in the third part of this dissertation allows a single networked control system to be extended to a large group of interconnected subsystems while system stability is still maintained. It also reveals the disturbance propagation through the network and the effect of disturbance in one subsystem on other subsystems. The proposed leader-following consensus protocol in the constrained communication among users reveals the effect of communication in stabilization of networked control systems and the interaction between communication and control over a network. Finally, the distributed tracking and consensus in networked multi-agent systems problem shows that information sharing among users improves the quality of local estimates and helps avoid conflicting and inefficient distributed decisions. It also reveals the effect of the graph topologies and incomplete node measurements on the speed of achieving distributed decision and final consensus accuracy

Pathwise Conditioning of Gaussian Processes

As Gaussian processes are used to answer increasingly complex questions, analytic solutions become scarcer and scarcer. Monte Carlo methods act as a convenient bridge for connecting intractable mathematical expressions with actionable estimates via sampling. Conventional approaches for simulating Gaussian process posteriors view samples as draws from marginal distributions of process values at finite sets of input locations. This distribution-centric characterization leads to generative strategies that scale cubically in the size of the desired random vector. These methods are prohibitively expensive in cases where we would, ideally, like to draw high-dimensional vectors or even continuous sample paths. In this work, we investigate a different line of reasoning: rather than focusing on distributions, we articulate Gaussian conditionals at the level of random variables. We show how this pathwise interpretation of conditioning gives rise to a general family of approximations that lend themselves to efficiently sampling Gaussian process posteriors. Starting from first principles, we derive these methods and analyze the approximation errors they introduce. We, then, ground these results by exploring the practical implications of pathwise conditioning in various applied settings, such as global optimization and reinforcement learning

Distributed synchronization algorithms for wireless sensor networks

The ability to distribute time and frequency among a large population of interacting agents is of interest for diverse disciplines, inasmuch as it enables to carry out complex cooperative tasks. In a wireless sensor network (WSN), time/frequency synchronization allows the implementation of distributed signal processing and coding techniques, and the realization of coordinated access to the shared wireless medium. Large multi-hop WSN\u27s constitute a new regime for network synchronization, as they call for the development of scalable, fully distributed synchronization algorithms. While most of previous research focused on synchronization at the application layer, this thesis considers synchronization at the lowest layers of the communication protocol stack of a WSN, namely the physical and the medium access control (MAC) layer. At the physical layer, the focus is on the compensation of carrier frequency offsets (CFO), while time synchronization is studied for application at the MAC layer. In both cases, the problem of realizing network-wide synchronization is approached by employing distributed clock control algorithms based on the classical concept of coupled phase and frequency locked loops (PLL and FLL). The analysis takes into account communication, signaling and energy consumption constraints arising in the novel context of multi-hop WSN\u27s. In particular, the robustness of the algorithms is checked against packet collision events, infrequent sync updates, and errors introduced by different noise sources, such as transmission delays and clock frequency instabilities. By observing that WSN\u27s allow for greater flexibility in the design of the synchronization network architecture, this work examines also the relative merits of both peer-to-peer (mutually coupled - MC) and hierarchical (master-slave - MS) architectures. With both MC and MS architectures, synchronization accuracy degrades smoothly with the network size, provided that loop parameters are conveniently chosen. In particular, MS topologies guarantee faster synchronization, but they are hindered by higher noise accumulation, while MC topologies allow for an almost uniform error distribution at the price of much slower convergence. For all the considered cases, synchronization algorithms based on adaptive PLL and FLL designs are shown to provide robust and scalable network-wide time and frequency distribution in a WSN