Status and Future Perspectives for Lattice Gauge Theory Calculations to the Exascale and Beyond

In this and a set of companion whitepapers, the USQCD Collaboration lays out a program of science and computing for lattice gauge theory. These whitepapers describe how calculation using lattice QCD (and other gauge theories) can aid the interpretation of ongoing and upcoming experiments in particle and nuclear physics, as well as inspire new ones.Comment: 44 pages. 1 of USQCD whitepapers

New Approaches for ab initio Calculations of Molecules with Strong Electron Correlation

Reliable quantum chemical methods for the description of molecules with dense-lying frontier orbitals are needed in the context of many chemical compounds and reactions. Here, we review developments that led to our newcomputational toolbo x which implements the quantum chemical density matrix renormalization group in a second-generation algorithm. We present an overview of the different components of this toolbox.Comment: 19 pages, 1 tabl

Reconfigurable Intelligent Surfaces for Wireless Communications: Principles, Challenges, and Opportunities

Recently there has been a flurry of research on the use of reconfigurable intelligent surfaces (RIS) in wireless networks to create smart radio environments. In a smart radio environment, surfaces are capable of manipulating the propagation of incident electromagnetic waves in a programmable manner to actively alter the channel realization, which turns the wireless channel into a controllable system block that can be optimized to improve overall system performance. In this article, we provide a tutorial overview of reconfigurable intelligent surfaces (RIS) for wireless communications. We describe the working principles of reconfigurable intelligent surfaces (RIS) and elaborate on different candidate implementations using metasurfaces and reflectarrays. We discuss the channel models suitable for both implementations and examine the feasibility of obtaining accurate channel estimates. Furthermore, we discuss the aspects that differentiate RIS optimization from precoding for traditional MIMO arrays highlighting both the arising challenges and the potential opportunities associated with this emerging technology. Finally, we present numerical results to illustrate the power of an RIS in shaping the key properties of a MIMO channel.Comment: to appear in the IEEE Transactions on Cognitive Communications and Networking (TCCN

ChoiceRank: Identifying Preferences from Node Traffic in Networks

Understanding how users navigate in a network is of high interest in many applications. We consider a setting where only aggregate node-level traffic is observed and tackle the task of learning edge transition probabilities. We cast it as a preference learning problem, and we study a model where choices follow Luce's axiom. In this case, the $O(n)$ marginal counts of node visits are a sufficient statistic for the $O(n^2)$ transition probabilities. We show how to make the inference problem well-posed regardless of the network's structure, and we present ChoiceRank, an iterative algorithm that scales to networks that contains billions of nodes and edges. We apply the model to two clickstream datasets and show that it successfully recovers the transition probabilities using only the network structure and marginal (node-level) traffic data. Finally, we also consider an application to mobility networks and apply the model to one year of rides on New York City's bicycle-sharing system.Comment: Accepted at ICML 201

Towards Logic Functions as the Device using Spin Wave Functions Nanofabric

As CMOS technology scaling is fast approaching its fundamental limits, several new nano-electronic devices have been proposed as possible alternatives to MOSFETs. Research on emerging devices mainly focusses on improving the intrinsic characteristics of these single devices keeping the overall integration approach fairly conventional. However, due to high logic complexity and wiring requirements, the overall system-level power, performance and area do not scale proportional to that of individual devices. Thereby, we propose a fundamental shift in mindset, to make the devices themselves more functional than simple switches. Our goal in this thesis is to develop a new nanoscale fabric paradigm that enables realization of arbitrary logic functions (with high fan-in/fan-out) more efficiently. We leverage on non-equilibrium spin wave physical phenomenon and wave interference to realize these elementary functions called Spin Wave Functions (SPWFs). In the proposed fabric, computation is based on the principle of wave superposition. Information is encoded both in the phase and amplitude of spin waves; thereby providing an opportunity for compressed data representation. Moreover, spin wave propagation does not involve any physical movement of charge particles. This provides a fundamental advantage over conventional charge based electronics and opens new horizons for novel nano-scale architectures. We show several variants of the SPWFs based on topology, signal weights, control inputs and wave frequencies. SPWF based designs of arithmetic circuits like adders and parallel counters are presented. Our efforts towards developing new architectures using SPWFs places strong emphasis on integrated fabric-circuit exploration methodology. With different topologies and circuit styles we have explored how capabilities at individual fabric components level can affect design and vice versa. Our estimates on benefits vs. 45nm CMOS implementation show that, for a 1-bit adder, up to 40x reduction in area and 228x reduction in power is possible. For the 2-bit adder, results show that up to 33x area reduction and 222x reduction in power may be possible. Building large scale SPWF-based systems, requires mechanisms for synchronization and data streaming. In this thesis, we present data streaming approaches based on Asynchronous SPWFs (A-SPWFs). As an example, a 32-bit Carry Completion Sensing Adder (CCSA) is shown based on the A-SPWF approach with preliminary power, performance and area evaluations

SMCTC : sequential Monte Carlo in C++

Sequential Monte Carlo methods are a very general class of Monte Carlo methods for sampling from sequences of distributions. Simple examples of these algorithms are used very widely in the tracking and signal processing literature. Recent developments illustrate that these techniques have much more general applicability, and can be applied very effectively to statistical inference problems. Unfortunately, these methods are often perceived as being computationally expensive and difficult to implement. This article seeks to address both of these problems. A C++ template class library for the efficient and convenient implementation of very general Sequential Monte Carlo algorithms is presented. Two example applications are provided: a simple particle filter for illustrative purposes and a state-of-the-art algorithm for rare event estimation

Balancing and integrating basic values in the development of organic regulations and standards: proposal for a procedure using case studies of conflicting areas

The basic aim of the report is to develop a procedure for the integration of the ethical value base of organic farming into standards and regulations. For this it is necessary to identify the core ethical value of organic production, consider their coherence and relate them to existing practice of organic food and farming. Ethical values are per se in need of interpretation. It is therefore also necessary to consider the process of decision-making, when aiming to achieve a coherent integration of such values in the structure of a standard or regulation. In line with the European Action Plan for organic food and farming from 2004 the Project EEC 2092/91 (Organic) Revision supports the idea that delegating a larger role to values and basic principles will help to harmonise the rules, provide room for flexibility in implementation and to simplify the European Regulation for organic production. It is important to include basic values in standards and regulations, because organic farming is value based and all actors/stakeholders have value expectations, including consumers who the regulation wants to protect. Standards and regulations form the basis of a virtual contract between the consumer and the producers. By following the practices set out in the standards, producers give a promise to the consumer to deliver on additional ethical values, beyond the legal minimum standards for conventional agriculture and food. The growing and globalised organic market and the involvement of large companies have resulted in renewed interest in the values and principles of organic farming. There has been concern that the organic food and farming sector is becoming more conventionalised, and has lost touch with its basic values. Thus it will no longer function effectively as a real alternative to general agriculture for consumers, producers and also for policy makers. The report analyses what core ethical value are associated with organic agriculture and should therefore be considered for inclusion in a regulation. This value base is contrasted with the existing Regulation (EEC) 2092/91 and with examples of current practice of organic agriculture in Europe. The implications of including ethical values in the structure of a regulation for decisionmaking are considered. Following on from the European Action Plan a process of total revision of the EU regulation on organic production is underway. A new European Regulation for organic production was adopted by the European Council of Ministers in June 2006 and will come into force in Jan 2009. The text of the near final proposal from December 2006 has been considered in several sections of the report. The report finishes with some conclusions and recommendations for the EU Commission and other standard setting bodies regarding the choice and roles of values in organic standard, the rules for decision-making processes in relation to integrating values, and regarding the ongoing revision of the organic regulation in Europe

The Tensor Networks Anthology: Simulation techniques for many-body quantum lattice systems

We present a compendium of numerical simulation techniques, based on tensor network methods, aiming to address problems of many-body quantum mechanics on a classical computer. The core setting of this anthology are lattice problems in low spatial dimension at finite size, a physical scenario where tensor network methods, both Density Matrix Renormalization Group and beyond, have long proven to be winning strategies. Here we explore in detail the numerical frameworks and methods employed to deal with low-dimension physical setups, from a computational physics perspective. We focus on symmetries and closed-system simulations in arbitrary boundary conditions, while discussing the numerical data structures and linear algebra manipulation routines involved, which form the core libraries of any tensor network code. At a higher level, we put the spotlight on loop-free network geometries, discussing their advantages, and presenting in detail algorithms to simulate low-energy equilibrium states. Accompanied by discussions of data structures, numerical techniques and performance, this anthology serves as a programmer's companion, as well as a self-contained introduction and review of the basic and selected advanced concepts in tensor networks, including examples of their applications.Comment: 115 pages, 56 figure