Solving Constraints on the Intermediate Result of Decimal Floating-Point Operations

The draft revision of the IEEE Standard for Floating-Point Arithmetic (IEEE P754) includes a definition for dec-imal floating-point (FP) in addition to the widely used bi-nary FP specification. The decimal standard raises new concerns with regard to the verification of hardware- and software-based designs. The verification process normally emphasizes intricate cor-ner cases and uncommon events. The decimal format intro-duces several new classes of such events in addition to those characteristic of binary FP. Our work addresses the following problem: Given a dec-imal floating-point operation, a constraint on the interme-diate result, and a constraint on the representation selected for the result, find random inputs for the operation that yield an intermediate result compatible with these specifications. The paper supplies efficient analytic solutions for addi-tion and for some cases of multiplication and division. We provide probabilistic algorithms for the remaining cases. These algorithms prove to be efficient in the actual imple-mentation.

Rigorous numerical approaches in electronic structure theory

Electronic structure theory concerns the description of molecular properties according to the postulates of quantum mechanics. For practical purposes, this is realized entirely through numerical computation, the scope of which is constrained by computational costs that increases rapidly with the size of the system. The significant progress made in this field over the past decades have been facilitated in part by the willingness of chemists to forego some mathematical rigour in exchange for greater efficiency. While such compromises allow large systems to be computed feasibly, there are lingering concerns over the impact that these compromises have on the quality of the results that are produced. This research is motivated by two key issues that contribute to this loss of quality, namely i) the numerical errors accumulated due to the use of finite precision arithmetic and the application of numerical approximations, and ii) the reliance on iterative methods that are not guaranteed to converge to the correct solution. Taking the above issues in consideration, the aim of this thesis is to explore ways to perform electronic structure calculations with greater mathematical rigour, through the application of rigorous numerical methods. Of which, we focus in particular on methods based on interval analysis and deterministic global optimization. The Hartree-Fock electronic structure method will be used as the subject of this study due to its ubiquity within this domain. We outline an approach for placing rigorous bounds on numerical error in Hartree-Fock computations. This is achieved through the application of interval analysis techniques, which are able to rigorously bound and propagate quantities affected by numerical errors. Using this approach, we implement a program called Interval Hartree-Fock. Given a closed-shell system and the current electronic state, this program is able to compute rigorous error bounds on quantities including i) the total energy, ii) molecular orbital energies, iii) molecular orbital coefficients, and iv) derived electronic properties. Interval Hartree-Fock is adapted as an error analysis tool for studying the impact of numerical error in Hartree-Fock computations. It is used to investigate the effect of input related factors such as system size and basis set types on the numerical accuracy of the Hartree-Fock total energy. Consideration is also given to the impact of various algorithm design decisions. Examples include the application of different integral screening thresholds, the variation between single and double precision arithmetic in two-electron integral evaluation, and the adjustment of interpolation table granularity. These factors are relevant to both the usage of conventional Hartree-Fock code, and the development of Hartree-Fock code optimized for novel computing devices such as graphics processing units. We then present an approach for solving the Hartree-Fock equations to within a guaranteed margin of error. This is achieved by treating the Hartree-Fock equations as a non-convex global optimization problem, which is then solved using deterministic global optimization. The main contribution of this work is the development of algorithms for handling quantum chemistry specific expressions such as the one and two-electron integrals within the deterministic global optimization framework. This approach was implemented as an extension to an existing open source solver. Proof of concept calculations are performed for a variety of problems within Hartree-Fock theory, including those in i) point energy calculation, ii) geometry optimization, iii) basis set optimization, and iv) excited state calculation. Performance analyses of these calculations are also presented and discussed

Throughput-Distortion Computation Of Generic Matrix Multiplication: Toward A Computation Channel For Digital Signal Processing Systems

The generic matrix multiply (GEMM) function is the core element of high-performance linear algebra libraries used in many computationally-demanding digital signal processing (DSP) systems. We propose an acceleration technique for GEMM based on dynamically adjusting the imprecision (distortion) of computation. Our technique employs adaptive scalar companding and rounding to input matrix blocks followed by two forms of packing in floating-point that allow for concurrent calculation of multiple results. Since the adaptive companding process controls the increase of concurrency (via packing), the increase in processing throughput (and the corresponding increase in distortion) depends on the input data statistics. To demonstrate this, we derive the optimal throughput-distortion control framework for GEMM for the broad class of zero-mean, independent identically distributed, input sources. Our approach converts matrix multiplication in programmable processors into a computation channel: when increasing the processing throughput, the output noise (error) increases due to (i) coarser quantization and (ii) computational errors caused by exceeding the machine-precision limitations. We show that, under certain distortion in the GEMM computation, the proposed framework can significantly surpass 100% of the peak performance of a given processor. The practical benefits of our proposal are shown in a face recognition system and a multi-layer perceptron system trained for metadata learning from a large music feature database.Comment: IEEE Transactions on Signal Processing (vol. 60, 2012

NAVI: Novel authentication with visual information

Text-based passwords, despite their well-known drawbacks, remain the dominant user authentication scheme implemented. Graphical password systems, based on visual information such as the recognition of photographs and / or pictures, have emerged as a promising alternative to the aggregate reliance on text passwords. Nevertheless, despite the advantages offered they have not been widely used in practice since many open issues need to be resolved. In this paper we propose a novel graphical password scheme, NAVI, where the credentials of the user are his username and a password formulated by drawing a route on a predefined map. We analyze the strength of the password generated by this scheme and present a prototype implementation in order to illustrate the feasibility of our proposal. Finally, we discuss NAVI’s security features and compare it with existing graphical password schemes as well as text-based passwords in terms of key security features, such aspassword keyspace, dictionary attacks and guessing attacks. The proposed scheme appears to have the same or better performance in the majority of the security features examined