High Performance Computing of Gene Regulatory Networks using a Message-Passing Model

Gene regulatory network reconstruction is a fundamental problem in computational biology. We recently developed an algorithm, called PANDA (Passing Attributes Between Networks for Data Assimilation), that integrates multiple sources of 'omics data and estimates regulatory network models. This approach was initially implemented in the C++ programming language and has since been applied to a number of biological systems. In our current research we are beginning to expand the algorithm to incorporate larger and most diverse data-sets, to reconstruct networks that contain increasing numbers of elements, and to build not only single network models, but sets of networks. In order to accomplish these "Big Data" applications, it has become critical that we increase the computational efficiency of the PANDA implementation. In this paper we show how to recast PANDA's similarity equations as matrix operations. This allows us to implement a highly readable version of the algorithm using the MATLAB/Octave programming language. We find that the resulting M-code much shorter (103 compared to 1128 lines) and more easily modifiable for potential future applications. The new implementation also runs significantly faster, with increasing efficiency as the network models increase in size. Tests comparing the C-code and M-code versions of PANDA demonstrate that this speed-up is on the order of 20-80 times faster for networks of similar dimensions to those we find in current biological applications

Asynchronous Distributed Averaging on Communication Networks

Distributed algorithms for averaging have attracted interest in the control and sensing literature. However, previous works have not addressed some practical concerns that will arise in actual implementations on packet-switched communication networks such as the Internet. In this paper, we present several implementable algorithms that are robust to asynchronism and dynamic topology changes. The algorithms are completely distributed and do not require any global coordination. In addition, they can be proven to converge under very general asynchronous timing assumptions. Our results are verified by both simulation and experiments on Planetlab, a real-world TCP/IP network. We also present some extensions that are likely to be useful in applications

Adjusting process count on demand for petascale global optimization⋆

There are many challenges that need to be met before efficient and reliable computation at the petascale is possible. Many scientific and engineering codes running at the petascale are likely to be memory intensive, which makes thrashing a serious problem for many petascale applications. One way to overcome this challenge is to use a dynamic number of processes, so that the total amount of memory available for the computation can be increased on demand. This paper describes modifications made to the massively parallel global optimization code pVTdirect in order to allow for a dynamic number of processes. In particular, the modified version of the code monitors memory use and spawns new processes if the amount of available memory is determined to be insufficient. The primary design challenges are discussed, and performance results are presented and analyzed

Computing infrastructure issues in distributed communications systems : a survey of operating system transport system architectures

The performance of distributed applications (such as file transfer, remote login, tele-conferencing, full-motion video, and scientific visualization) is influenced by several factors that interact in complex ways. In particular, application performance is significantly affected both by communication infrastructure factors and computing infrastructure factors. Several communication infrastructure factors include channel speed, bit-error rate, and congestion at intermediate switching nodes. Computing infrastructure factors include (among other things) both protocol processing activities (such as connection management, flow control, error detection, and retransmission) and general operating system factors (such as memory latency, CPU speed, interrupt and context switching overhead, process architecture, and message buffering). Due to a several orders of magnitude increase in network channel speed and an increase in application diversity, performance bottlenecks are shifting from the network factors to the transport system factors.This paper defines an abstraction called an "Operating System Transport System Architecture" (OSTSA) that is used to classify the major components and services in the computing infrastructure. End-to-end network protocols such as TCP, TP4, VMTP, XTP, and Delta-t typically run on general-purpose computers, where they utilize various operating system resources such as processors, virtual memory, and network controllers. The OSTSA provides services that integrate these resources to support distributed applications running on local and wide area networks.A taxonomy is presented to evaluate OSTSAs in terms of their support for protocol processing activities. We use this taxonomy to compare and contrast five general-purpose commercial and experimental operating systems including System V UNIX, BSD UNIX, the x-kernel, Choices, and Xinu

MIMO Detection for High-Order QAM Based on a Gaussian Tree Approximation

This paper proposes a new detection algorithm for MIMO communication systems employing high order QAM constellations. The factor graph that corresponds to this problem is very loopy; in fact, it is a complete graph. Hence, a straightforward application of the Belief Propagation (BP) algorithm yields very poor results. Our algorithm is based on an optimal tree approximation of the Gaussian density of the unconstrained linear system. The finite-set constraint is then applied to obtain a loop-free discrete distribution. It is shown that even though the approximation is not directly applied to the exact discrete distribution, applying the BP algorithm to the loop-free factor graph outperforms current methods in terms of both performance and complexity. The improved performance of the proposed algorithm is demonstrated on the problem of MIMO detection