Automatic differentiation in machine learning: a survey

Derivatives, mostly in the form of gradients and Hessians, are ubiquitous in machine learning. Automatic differentiation (AD), also called algorithmic differentiation or simply "autodiff", is a family of techniques similar to but more general than backpropagation for efficiently and accurately evaluating derivatives of numeric functions expressed as computer programs. AD is a small but established field with applications in areas including computational fluid dynamics, atmospheric sciences, and engineering design optimization. Until very recently, the fields of machine learning and AD have largely been unaware of each other and, in some cases, have independently discovered each other's results. Despite its relevance, general-purpose AD has been missing from the machine learning toolbox, a situation slowly changing with its ongoing adoption under the names "dynamic computational graphs" and "differentiable programming". We survey the intersection of AD and machine learning, cover applications where AD has direct relevance, and address the main implementation techniques. By precisely defining the main differentiation techniques and their interrelationships, we aim to bring clarity to the usage of the terms "autodiff", "automatic differentiation", and "symbolic differentiation" as these are encountered more and more in machine learning settings.Comment: 43 pages, 5 figure

Automatic differentiation in machine learning: a survey

Derivatives, mostly in the form of gradients and Hessians, are ubiquitous in machine learning. Automatic differentiation (AD) is a technique for calculating derivatives of numeric functions expressed as computer programs efficiently and accurately, used in fields such as computational fluid dynamics, nuclear engineering, and atmospheric sciences. Despite its advantages and use in other fields, machine learning practitioners have been little influenced by AD and make scant use of available tools. We survey the intersection of AD and machine learning, cover applications where AD has the potential to make a big impact, and report on some recent developments in the adoption of this technique. We aim to dispel some misconceptions that we contend have impeded the use of AD within the machine learning community

Automatic differentiation in machine learning: a survey

Derivatives, mostly in the form of gradients and Hessians, are ubiquitous in machine learning. Automatic differentiation (AD) is a technique for calculating derivatives of numeric functions expressed as computer programs efficiently and accurately, used in fields such as computational fluid dynamics, nuclear engineering, and atmospheric sciences. Despite its advantages and use in other fields, machine learning practitioners have been little influenced by AD and make scant use of available tools. We survey the intersection of AD and machine learning, cover applications where AD has the potential to make a big impact, and report on some recent developments in the adoption of this technique. We aim to dispel some misconceptions that we contend have impeded the use of AD within the machine learning community

TONGA : un algorithme de gradient naturel pour les problèmes de grande taille

Mémoire numérisé par la Division de la gestion de documents et des archives de l'Université de Montréal

Quantitative electron microscopy for microstructural characterisation

Development of materials for high-performance applications requires accurate and useful analysis tools. In parallel with advances in electron microscopy hardware, we require analysis approaches to better understand microstructural behaviour. Such improvements in characterisation capability permit informed alloy design. New approaches to the characterisation of metallic materials are presented, primarily using signals collected from electron microscopy experiments. Electron backscatter diffraction is regularly used to investigate crystallography in the scanning electron microscope, and combined with energy-dispersive X-ray spectroscopy to simultaneusly investigate chemistry. New algorithms and analysis pipelines are developed to permit accurate and routine microstructural evaluation, leveraging a variety of machine learning approaches. This thesis investigates the structure and behaviour of Co/Ni-base superalloys, derived from V208C. Use of the presently developed techniques permits informed development of a new generation of advanced gas turbine engine materials.Open Acces

Graphical Models and Symmetries : Loopy Belief Propagation Approaches

Whenever a person or an automated system has to reason in uncertain domains, probability theory is necessary. Probabilistic graphical models allow us to build statistical models that capture complex dependencies between random variables. Inference in these models, however, can easily become intractable. Typical ways to address this scaling issue are inference by approximate message-passing, stochastic gradients, and MapReduce, among others. Exploiting the symmetries of graphical models, however, has not yet been considered for scaling statistical machine learning applications. One instance of graphical models that are inherently symmetric are statistical relational models. These have recently gained attraction within the machine learning and AI communities and combine probability theory with first-order logic, thereby allowing for an efficient representation of structured relational domains. The provided formalisms to compactly represent complex real-world domains enable us to effectively describe large problem instances. Inference within and training of graphical models, however, have not been able to keep pace with the increased representational power. This thesis tackles two major aspects of graphical models and shows that both inference and training can indeed benefit from exploiting symmetries. It first deals with efficient inference exploiting symmetries in graphical models for various query types. We introduce lifted loopy belief propagation (lifted LBP), the first lifted parallel inference approach for relational as well as propositional graphical models. Lifted LBP can effectively speed up marginal inference, but cannot straightforwardly be applied to other types of queries. Thus we also demonstrate efficient lifted algorithms for MAP inference and higher order marginals, as well as the efficient handling of multiple inference tasks. Then we turn to the training of graphical models and introduce the first lifted online training for relational models. Our training procedure and the MapReduce lifting for loopy belief propagation combine lifting with the traditional statistical approaches to scaling, thereby bridging the gap between statistical relational learning and traditional statistical machine learning