Surrogate Modeling of Nonlinear Components and Circuits

Surrogate models are simplified approximations of functions that are described by complex equations. Surrogate modeling of physical systems have been used in various fields such as biology, fluid dynamics, climate modeling, and various other engineering disciplines. This data-driven approach is used to decrease computational cost, decrease computation time, or when the output of a system is diffcult or impossible to measure, by using a \black-box method to approximate the output given inputs. In regards to circuit analysis, surrogate models can be used to decrease computation time and computational load. In this thesis, surrogate modeling is used to model various nonlinear components and circuits in fREEDA, a multi-physics circuit simulator, for the purpose of speeding up transient analysis. Neural networks are used in place of physics-based equations, resulting in a speedup of 5 - 18x for the evaluation of the components and 3x for the evaluation of entire circuits. The components and circuits tested in this work include: BJT (Bipolar Junction Transistor), MOSFET (Metal-Oxide-Semiconductor Field-Effect Transistor), common-emitter amplifier, and common-source amplifier

Quantum Computing for Molecular Biology

Molecular biology and biochemistry interpret microscopic processes in the living world in terms of molecular structures and their interactions, which are quantum mechanical by their very nature. Whereas the theoretical foundations of these interactions are very well established, the computational solution of the relevant quantum mechanical equations is very hard. However, much of molecular function in biology can be understood in terms of classical mechanics, where the interactions of electrons and nuclei have been mapped onto effective classical surrogate potentials that model the interaction of atoms or even larger entities. The simple mathematical structure of these potentials offers huge computational advantages; however, this comes at the cost that all quantum correlations and the rigorous many-particle nature of the interactions are omitted. In this work, we discuss how quantum computation may advance the practical usefulness of the quantum foundations of molecular biology by offering computational advantages for simulations of biomolecules. We not only discuss typical quantum mechanical problems of the electronic structure of biomolecules in this context, but also consider the dominating classical problems (such as protein folding and drug design) as well as data-driven approaches of bioinformatics and the degree to which they might become amenable to quantum simulation and quantum computation.Comment: 76 pages, 7 figure

Data-driven modelling of biological multi-scale processes

Biological processes involve a variety of spatial and temporal scales. A holistic understanding of many biological processes therefore requires multi-scale models which capture the relevant properties on all these scales. In this manuscript we review mathematical modelling approaches used to describe the individual spatial scales and how they are integrated into holistic models. We discuss the relation between spatial and temporal scales and the implication of that on multi-scale modelling. Based upon this overview over state-of-the-art modelling approaches, we formulate key challenges in mathematical and computational modelling of biological multi-scale and multi-physics processes. In particular, we considered the availability of analysis tools for multi-scale models and model-based multi-scale data integration. We provide a compact review of methods for model-based data integration and model-based hypothesis testing. Furthermore, novel approaches and recent trends are discussed, including computation time reduction using reduced order and surrogate models, which contribute to the solution of inference problems. We conclude the manuscript by providing a few ideas for the development of tailored multi-scale inference methods.Comment: This manuscript will appear in the Journal of Coupled Systems and Multiscale Dynamics (American Scientific Publishers

Memory and information processing in neuromorphic systems

A striking difference between brain-inspired neuromorphic processors and current von Neumann processors architectures is the way in which memory and processing is organized. As Information and Communication Technologies continue to address the need for increased computational power through the increase of cores within a digital processor, neuromorphic engineers and scientists can complement this need by building processor architectures where memory is distributed with the processing. In this paper we present a survey of brain-inspired processor architectures that support models of cortical networks and deep neural networks. These architectures range from serial clocked implementations of multi-neuron systems to massively parallel asynchronous ones and from purely digital systems to mixed analog/digital systems which implement more biological-like models of neurons and synapses together with a suite of adaptation and learning mechanisms analogous to the ones found in biological nervous systems. We describe the advantages of the different approaches being pursued and present the challenges that need to be addressed for building artificial neural processing systems that can display the richness of behaviors seen in biological systems.Comment: Submitted to Proceedings of IEEE, review of recently proposed neuromorphic computing platforms and system

Evolutionary biology for the 21st century

New theoretical and conceptual frameworks are required for evolutionary biology to capitalize on the wealth of data now becoming available from the study of genomes, phenotypes, and organisms - including humans - in their natural environments.Molecular and Cellular BiologyOrganismic and Evolutionary Biolog

The role of concurrency in an evolutionary view of programming abstractions

In this paper we examine how concurrency has been embodied in mainstream programming languages. In particular, we rely on the evolutionary talking borrowed from biology to discuss major historical landmarks and crucial concepts that shaped the development of programming languages. We examine the general development process, occasionally deepening into some language, trying to uncover evolutionary lineages related to specific programming traits. We mainly focus on concurrency, discussing the different abstraction levels involved in present-day concurrent programming and emphasizing the fact that they correspond to different levels of explanation. We then comment on the role of theoretical research on the quest for suitable programming abstractions, recalling the importance of changing the working framework and the way of looking every so often. This paper is not meant to be a survey of modern mainstream programming languages: it would be very incomplete in that sense. It aims instead at pointing out a number of remarks and connect them under an evolutionary perspective, in order to grasp a unifying, but not simplistic, view of the programming languages development process