Use of Interval Arithmetic and GRID Computing in Computational Molecular Science: Bounding Errors and Locating Global Minima. Catastrophic failure of the Ariane 5 rocket in 1996 and the inability of Patriot missile systems to reach their targets during the 1991 Gulf war were both attributed to numerical computing errors. Less dramatic, but in a similar vein, this project aims to study the numerical stability of contemporary computational molecular science applications. The focus will be on linea ....Use of Interval Arithmetic and GRID Computing in Computational Molecular Science: Bounding Errors and Locating Global Minima. Catastrophic failure of the Ariane 5 rocket in 1996 and the inability of Patriot missile systems to reach their targets during the 1991 Gulf war were both attributed to numerical computing errors. Less dramatic, but in a similar vein, this project aims to study the numerical stability of contemporary computational molecular science applications. The focus will be on linear scaling electronic structure codes, methods that are critical to the study of nano- and bio-materials, and are therefore of great importance to our economic future and medical well being. The project will build expertise within Australia in the area of interval arithmetic, an area that is currently poorly represented.Read moreRead less
Electron correlation models using morph operators and hybrid intracules. A new solution to the central problem in quantum chemistry will allow researchers in the chemical, pharmaceutical and materials sciences to predict the chemical behaviour of moderately large molecular systems with an accuracy and efficiency that has not previously been possible. The software that will result will enable cost and time savings in the design of advanced materials in the medical and agricultural contexts.
Design surface feature recognition for near net shaped manufactured components. The aim of this project is to investigate methods and techniques that, given an ab initio design requirement, allow databases of knowledge from previous designs to be intelligently searched for similar patterns, both geometric and physical state, that will assess the likelihood of a successful design and suggest potential alternatives based on previous experience
The plan is to approach the research problem from a m ....Design surface feature recognition for near net shaped manufactured components. The aim of this project is to investigate methods and techniques that, given an ab initio design requirement, allow databases of knowledge from previous designs to be intelligently searched for similar patterns, both geometric and physical state, that will assess the likelihood of a successful design and suggest potential alternatives based on previous experience
The plan is to approach the research problem from a machine learning/pattern recognition point of view. By mapping the characterized properties into a search space of reduced dimensionality in which feature patterns have been pre-classified through supervised training, it should be possible to identify similar features.
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Analysing Iterative Machine Learning Algorithms with Information Geometric Methods. Online machine learning problems arise from situations where data is provided a point at a time. There are many classical algorithms for solving such problems based on the principle of stochastic gradient descent. Recent research by the CIs and others have thrown up interesting but diverse geometric connections that offer new insights. The proposed research aims to integrate the understanding of these algori ....Analysing Iterative Machine Learning Algorithms with Information Geometric Methods. Online machine learning problems arise from situations where data is provided a point at a time. There are many classical algorithms for solving such problems based on the principle of stochastic gradient descent. Recent research by the CIs and others have thrown up interesting but diverse geometric connections that offer new insights. The proposed research aims to integrate the understanding of these algorithms with the aim of designing algorithms better able to exploit prior knowledge, and to extend existing algorithms to new problem domains thus offering well principled and well understood algorithms for solving a variety of novel online problems.Read moreRead less
Development and implementation of efficient new models for electron correlation. The two new approaches will allow researchers in the chemical, pharmaceutical and materials sciences to predict the physical and chemical behaviour of moderately large molecular systems with an accuracy and efficiency that has not previously been possible. The software that will result will enable cost and time savings in the design of advanced materials in the medical and agricultural contexts.
Black Hole Accretion: The Effects of Magnetic Fields and Radiation. This project represents a significant contribution by Australian researchers to one of Science's Big Questions: How do Black Holes channel gravitational energy into radiation at many different energies and into high speed outflows. It offers Australian Astronomy an opportunity to expand its endeavours into the rapidly growing and high profile areas of high-energy and computational astrophysics, injecting new expertise into the i ....Black Hole Accretion: The Effects of Magnetic Fields and Radiation. This project represents a significant contribution by Australian researchers to one of Science's Big Questions: How do Black Holes channel gravitational energy into radiation at many different energies and into high speed outflows. It offers Australian Astronomy an opportunity to expand its endeavours into the rapidly growing and high profile areas of high-energy and computational astrophysics, injecting new expertise into the interpretation of multi-wavelength data on accreting black holes. We will train a new cohort of internationally competitive students and early career researchers, equipping them with the advanced computational and modelling skills that are in increasingly higher demand in many technology-based industries.Read moreRead less
Feedback Processes in Galaxy Formation. We have an opportunity to combine the best Australian theory with the best local and international telescopes, to probe the murky story of how galaxies form and why they look they way they do today. By looking back to a time when the Universe was only 1 billion years old, and comparing what we see with cutting edge supercomputer simulations plus pure theory, we will gain insight into the birth of entire galaxies. The results will form part of the study o ....Feedback Processes in Galaxy Formation. We have an opportunity to combine the best Australian theory with the best local and international telescopes, to probe the murky story of how galaxies form and why they look they way they do today. By looking back to a time when the Universe was only 1 billion years old, and comparing what we see with cutting edge supercomputer simulations plus pure theory, we will gain insight into the birth of entire galaxies. The results will form part of the study of how the universe works - that is driving astrophysics today, and represents pure research for the sake of advancing knowledge and showing us where we fit into the Universe. In doing so we will also advance Australia's base of theoretical and computational expertise.Read moreRead less
Molecular Energies and Non-Bonded Interactions. The development of new techniques that allow non-bonded chemical interactions to be modelled and predicted reliably and accurately will allow researchers in the chemical, and pharmaceutical sciences to predict the physical and chemical behaviour of moderately large molecular systems with an accuracy and efficiency that has not previously been possible. The software that will result will enable cost and time savings in molecular design within the m ....Molecular Energies and Non-Bonded Interactions. The development of new techniques that allow non-bonded chemical interactions to be modelled and predicted reliably and accurately will allow researchers in the chemical, and pharmaceutical sciences to predict the physical and chemical behaviour of moderately large molecular systems with an accuracy and efficiency that has not previously been possible. The software that will result will enable cost and time savings in molecular design within the medical and agricultural contexts.Read moreRead less
Improving the accuracy of phylogenetic reconstruction by improving models of sequence divergence. Phylogenies describe the relationships among species and provide the essential framework for understanding evolutionary processes. They are an essential tool in the identification of functionally important regions in DNA sequences. An important aspect of identifying phylogenies is measuring how DNA sequences change in time. The proposed research will develop sophisticated, practical models of sequen ....Improving the accuracy of phylogenetic reconstruction by improving models of sequence divergence. Phylogenies describe the relationships among species and provide the essential framework for understanding evolutionary processes. They are an essential tool in the identification of functionally important regions in DNA sequences. An important aspect of identifying phylogenies is measuring how DNA sequences change in time. The proposed research will develop sophisticated, practical models of sequence divergence and make them freely available in open source software. The software and models will positively impact on studies seeking to understand Australian biological diversity. The proposed resolution of the eutherian mammal orders will further significantly impact on utilisation of rodents as a model organism for human biology.Read moreRead less
Developing Reliable Bio-Crypto Features for Mobile Template Protection. Cost of identity theft crimes were at multi-million dollars in Australia in 2007. Technically this is due to the fact that conventional personal identification number and token based security mechanisms cannot identify genuine users. Biometric fingerprint security systems emerge as a promising solution. However protection of the mobile embedded fingerprint template itself is an unresolved problem. The project aims to devel ....Developing Reliable Bio-Crypto Features for Mobile Template Protection. Cost of identity theft crimes were at multi-million dollars in Australia in 2007. Technically this is due to the fact that conventional personal identification number and token based security mechanisms cannot identify genuine users. Biometric fingerprint security systems emerge as a promising solution. However protection of the mobile embedded fingerprint template itself is an unresolved problem. The project aims to develop new ways designing bio-cryptosystems that provide strong security strength. The project will bring new body of knowledge into this field and place Australia in the forefront of this research, and also result in strengthened security of IT infrastructure and systems for industries.Read moreRead less