Design of a Flexible Component Gathering Algorithm for Converting Cell-based Models to Graph Representations for Use in Evolutionary Search

Background The ability of science to produce experimental data has outpaced the ability to effectively visualize and integrate the data into a conceptual framework that can further higher order understanding. Multidimensional and shape-based observational data of regenerative biology presents a particularly daunting challenge in this regard. Large amounts of data are available in regenerative biology, but little progress has been made in understanding how organisms such as planaria robustly achieve and maintain body form. An example of this kind of data can be found in a new repository (PlanformDB) that encodes descriptions of planaria experiments and morphological outcomes using a graph formalism. Results We are developing a model discovery framework that uses a cell-based modeling platform combined with evolutionary search to automatically search for and identify plausible mechanisms for the biological behavior described in PlanformDB. To automate the evolutionary search we developed a way to compare the output of the modeling platform to the morphological descriptions stored in PlanformDB. We used a flexible connected component algorithm to create a graph representation of the virtual worm from the robust, cell-based simulation data. These graphs can then be validated and compared with target data from PlanformDB using the well-known graph-edit distance calculation, which provides a quantitative metric of similarity between graphs. The graph edit distance calculation was integrated into a fitness function that was able to guide automated searches for unbiased models of planarian regeneration. We present a cell-based model of planarian that can regenerate anatomical regions following bisection of the organism, and show that the automated model discovery framework is capable of searching for and finding models of planarian regeneration that match experimental data stored in PlanformDB. Conclusion The work presented here, including our algorithm for converting cell-based models into graphs for comparison with data stored in an external data repository, has made feasible the automated development, training, and validation of computational models using morphology-based data. This work is part of an ongoing project to automate the search process, which will greatly expand our ability to identify, consider, and test biological mechanisms in the field of regenerative biology

Evolutionary Search for Models of Planarian Regeneration Using Experimental Data

The ability of science to produce experimental data greatly surpasses our current ability to effectively visualize, conceptualize, and integrate the vast volumes of available data into a unified understanding of how complex biological systems work. This inability is a hindrance to scientific progress, and is particularly daunting when one considers multidimensional and shape-based observations as in the field of regenerative biology. For example, for at least the last 200 years, scientists have been interested in the exceptional ability of Planaria to regenerate lost tissues from damage, and there is a large amount of experimental data available on this organism. However, until recently, none of these experiments had been collected into a single database. To this end, a repository (PlanformDB) has been created that includes formal descriptions of planaria experiments, including morphological descriptions of the worms using a graph formalism. PlanformDB opens the door to automated, formal approaches for analyzing and understanding the large amount of available experimental data for planaria. This work seeks to automate the search for models of planaria regeneration against the Planform database with experiments. Regeneration models not only help the understanding of how planarians maintain their shape based on the experiments observed up to today, but also provide a tool to predict the outcomes of future experiments. An automated model discovery framework was setup to simulate the experiments described in PlanformDB using an agent-based modeling platform combined with evolutionary search to identify plausible mechanisms for the biological behavior. The automation has been achieved through the linking of the simulation platform to PlanformDB and development of fitness metrics that enable the evolutionary search. The proposed fitness metrics were developed, implemented and then evaluated by assessing their fitness landscapes. A fitness landscape represents the range of possible fitness values that can be assigned to various models. In this work, the roughness, flatness and the presence of local maxima in the fitness landscapes were evaluated for the proposed fitness functions. To further test the utility of the proposed fitness functions, a simple evolutionary search was performed

Evolutionary design assistants for architecture

In its parallel pursuit of an increased competitivity for design offices and more pleasurable and easier workflows for designers, artificial design intelligence is a technical, intellectual, and political challenge. While human-machine cooperation has become commonplace through Computer Aided Design (CAD) tools, a more improved collaboration and better support appear possible only through an endeavor into a kind of artificial design intelligence, which is more sensitive to the human perception of affairs. Considered as part of the broader Computational Design studies, the research program of this quest can be called Artificial / Autonomous / Automated Design (AD). The current available level of Artificial Intelligence (AI) for design is limited and a viable aim for current AD would be to develop design assistants that are capable of producing drafts for various design tasks. Thus, the overall aim of this thesis is the development of approaches, techniques, and tools towards artificial design assistants that offer a capability for generating drafts for sub-tasks within design processes. The main technology explored for this aim is Evolutionary Computation (EC), and the target design domain is architecture. The two connected research questions of the study concern, first, the investigation of the ways to develop an architectural design assistant, and secondly, the utilization of EC for the development of such assistants. While developing approaches, techniques, and computational tools for such an assistant, the study also carries out a broad theoretical investigation into the main problems, challenges, and requirements towards such assistants on a rather overall level. Therefore, the research is shaped as a parallel investigation of three main threads interwoven along several levels, moving from a more general level to specific applications. The three research threads comprise, first, theoretical discussions and speculations with regard to both existing literature and the proposals and applications of the thesis; secondly, proposals for descriptive and prescriptive models, mappings, summary illustrations, task structures, decomposition schemes, and integratory frameworks; and finally, experimental applications of these proposals. This tripartite progression allows an evaluation of each proposal both conceptually and practically; thereby, enabling a progressive improvement of the understanding regarding the research question, while producing concrete outputs on the way. Besides theoretical and interpretative examinations, the thesis investigates its subject through a set of practical and speculative proposals, which function as both research instruments and the outputs of the study. The first main output of the study is the “design_proxy” approach (d_p), which is an integrated approach for draft making design assistants. It is an outcome of both theoretical examinations and experimental applications, and proposes an integration of, (1) flexible and relaxed task definitions and representations (instead of strict formalisms), (2) intuitive interfaces that make use of usual design media, (3) evaluation of solution proposals through their similarity to given examples, and (4) a dynamic evolutionary approach for solution generation. The design_proxy approach may be useful for AD researchers that aim at developing practical design assistants, as has been examined and demonstrated with the two applications, i.e., design_proxy.graphics and design_proxy.layout. The second main output, the “Interleaved Evolutionary Algorithm” (IEA, or Interleaved EA) is a novel evolutionary algorithm proposed and used as the underlying generative mechanism of design_proxybased design assistants. The Interleaved EA is a dynamic, adaptive, and multi-objective EA, in which one of the objectives leads the evolution until its fitness progression stagnates; in the sense that the settings and fitness values of this objective is used for most evolutionary decisions. In this way, the Interleaved EA enables the use of different settings and operators for each of the objectives within an overall task, which would be the same for all objectives in a regular multi-objective EA. This property gives the algorithm a modular structure, which offers an improvable method for the utilization of domain-specific knowledge for each sub-task, i.e., objective. The Interleaved EA can be used by Evolutionary Computation (EC) researchers and by practitioners who employ EC for their tasks. As a third main output, the “Architectural Stem Cells Framework” is a conceptual framework for architectural design assistants. It proposes a dynamic and multi-layered method for combining a set of design assistants for larger tasks in architectural design. The first component of the framework is a layer-based, parallel task decomposition approach, which aims at obtaining a dynamic parallelization of sub-tasks within a more complicated problem. The second component of the framework is a conception for the development mechanisms for building drafts, i.e., Architectural Stem Cells (ASC). An ASC can be conceived as a semantically marked geometric structure, which contains the information that specifies the possibilities and constraints for how an abstract building may develop from an undetailed stage to a fully developed building draft. ASCs are required for re-integrating the separated task layers of an architectural problem through solution-based development. The ASC Framework brings together many of the ideas of this thesis for a practical research agenda and it is presented to the AD researchers in architecture. Finally, the “design_proxy.layout” (d_p.layout) is an architectural layout design assistant based on the design_proxy approach and the IEA. The system uses a relaxed problem definition (producing draft layouts) and a flexible layout representation that permits the overlapping of design units and boundaries. User interaction with the system is carried out through intuitive 2D graphics and the functional evaluations are performed by measuring the similarity of a proposal to existing layouts. Functioning in an integrated manner, these properties make the system a practicable and enjoying design assistant, which was demonstrated through two workshop cases. The d_p.layout is a versatile and robust layout design assistant that can be used by architects in their design processes

Innovative food recommendation systems: a machine learning approach

This thesis was submitted for the award of Doctor of Philosophy and was awarded by Brunel University LondonRecommendation systems employ users history data records to predict their preference, and have been widely used in diverse fields including biology, e-commerce, and healthcare. Traditional recommendation techniques include content-based, collaborative-based and hybrid methods but not all real-world problems can be best addressed by these classical recommendation techniques. Food recommendation is one such challenging problem where there is an urgent need to use novel recommendation systems in assisting people to select healthy, balanced and personalized food plans. In this thesis, we make several advances in food recommendation systems using innovative machine learning methods. First, a novel recommendation approach is proposed by transforming an original recommendation problem into a many-objective optimisation one that contains several different objectives resulting in more balanced recommendations. Second, a unified approach to designing sequence-based personalised food recommendation systems is investigated to accommodate dynamic user behaviours. Third, a new food recommendation approach is developed with a temporal dependent graph neural network and data augmentation techniques leading to more accurate and robust recommendations. The experimental results show that these proposed approaches have not only provided a more balanced and accurate way of recommending food than the traditional methods but also led to promising areas for future research

Automated Machine Learning implementation framework in the banking sector

Dissertation presented as the partial requirement for obtaining a Master's degree in Data Science and Advanced Analytics, specialization in Business AnalyticsAutomated Machine Learning is a subject in the Machine Learning field, designed to give the possibility of Machine Learning use to non-expert users, it aroused from the lack of subject matter experts, trying to remove humans from these topic implementations. The advantages behind automated machine learning are leaning towards the removal of human implementation, fastening the machine learning deployment speed. The organizations will benefit from effective solutions benchmarking and validations. The use of an automated machine learning implementation framework can deeply transform an organization adding value to the business by freeing the subject matter experts of the low-level machine learning projects, letting them focus on high level projects. This will also help the organization reach new competence, customization, and decision-making levels in a higher analytical maturity level. This work pretends, firstly to investigate the impact and benefits automated machine learning implementation in the banking sector, and afterwards develop an implementation framework that could be used by banking institutions as a guideline for the automated machine learning implementation through their departments. The autoML advantages and benefits are evaluated regarding business value and competitive advantage and it is presented the implementation in a fictitious institution, considering all the need steps and the possible setbacks that could arise. Banking institutions, in their business have different business processes, and since most of them are old institutions, the main concerns are related with the automating their business process, improving their analytical maturity and sensibilizing their workforce to the benefits of the implementation of new forms of work. To proceed to a successful implementation plan should be known the institution particularities, adapt to them and ensured the sensibilization of the workforce and management to the investments that need to be made and the changes in all levels of their organizational work that will come from that, that will lead to a lot of facilities in everyone’s daily work

In-silico-Systemanalyse von Biopathways

Chen M. In silico systems analysis of biopathways. Bielefeld (Germany): Bielefeld University; 2004.In the past decade with the advent of high-throughput technologies, biology has migrated from a descriptive science to a predictive one. A vast amount of information on the metabolism have been produced; a number of specific genetic/metabolic databases and computational systems have been developed, which makes it possible for biologists to perform in silico analysis of metabolism. With experimental data from laboratory, biologists wish to systematically conduct their analysis with an easy-to-use computational system. One major task is to implement molecular information systems that will allow to integrate different molecular database systems, and to design analysis tools (e.g. simulators of complex metabolic reactions). Three key problems are involved: 1) Modeling and simulation of biological processes; 2) Reconstruction of metabolic pathways, leading to predictions about the integrated function of the network; and 3) Comparison of metabolism, providing an important way to reveal the functional relationship between a set of metabolic pathways. This dissertation addresses these problems of in silico systems analysis of biopathways. We developed a software system to integrate the access to different databases, and exploited the Petri net methodology to model and simulate metabolic networks in cells. It develops a computer modeling and simulation technique based on Petri net methodology; investigates metabolic networks at a system level; proposes a markup language for biological data interchange among diverse biological simulators and Petri net tools; establishes a web-based information retrieval system for metabolic pathway prediction; presents an algorithm for metabolic pathway alignment; recommends a nomenclature of cellular signal transduction; and attempts to standardize the representation of biological pathways. Hybrid Petri net methodology is exploited to model metabolic networks. Kinetic modeling strategy and Petri net modeling algorithm are applied to perform the processes of elements functioning and model analysis. The proposed methodology can be used for all other metabolic networks or the virtual cell metabolism. Moreover, perspectives of Petri net modeling and simulation of metabolic networks are outlined. A proposal for the Biology Petri Net Markup Language (BioPNML) is presented. The concepts and terminology of the interchange format, as well as its syntax (which is based on XML) are introduced. BioPNML is designed to provide a starting point for the development of a standard interchange format for Bioinformatics and Petri nets. The language makes it possible to exchange biology Petri net diagrams between all supported hardware platforms and versions. It is also designed to associate Petri net models and other known metabolic simulators. A web-based metabolic information retrieval system, PathAligner, is developed in order to predict metabolic pathways from rudimentary elements of pathways. It extracts metabolic information from biological databases via the Internet, and builds metabolic pathways with data sources of genes, sequences, enzymes, metabolites, etc. The system also provides a navigation platform to investigate metabolic related information, and transforms the output data into XML files for further modeling and simulation of the reconstructed pathway. An alignment algorithm to compare the similarity between metabolic pathways is presented. A new definition of the metabolic pathway is proposed. The pathway defined as a linear event sequence is practical for our alignment algorithm. The algorithm is based on strip scoring the similarity of 4-hierarchical EC numbers involved in the pathways. The algorithm described has been implemented and is in current use in the context of the PathAligner system. Furthermore, new methods for the classification and nomenclature of cellular signal transductions are recommended. For each type of characterized signal transduction, a unique ST number is provided. The Signal Transduction Classification Database (STCDB), based on the proposed classification and nomenclature, has been established. By merging the ST numbers with EC numbers, alignments of biopathways are possible. Finally, a detailed model of urea cycle that includes gene regulatory networks, metabolic pathways and signal transduction is demonstrated by using our approaches. A system biological interpretation of the observed behavior of the urea cycle and its related transcriptomics information is proposed to provide new insights for metabolic engineering and medical care

Artificial Intelligence Research Branch future plans

This report contains information on the activities of the Artificial Intelligence Research Branch (FIA) at NASA Ames Research Center (ARC) in 1992, as well as planned work in 1993. These activities span a range from basic scientific research through engineering development to fielded NASA applications, particularly those applications that are enabled by basic research carried out in FIA. Work is conducted in-house and through collaborative partners in academia and industry. All of our work has research themes with a dual commitment to technical excellence and applicability to NASA short, medium, and long-term problems. FIA acts as the Agency's lead organization for research aspects of artificial intelligence, working closely with a second research laboratory at the Jet Propulsion Laboratory (JPL) and AI applications groups throughout all NASA centers. This report is organized along three major research themes: (1) Planning and Scheduling: deciding on a sequence of actions to achieve a set of complex goals and determining when to execute those actions and how to allocate resources to carry them out; (2) Machine Learning: techniques for forming theories about natural and man-made phenomena; and for improving the problem-solving performance of computational systems over time; and (3) Research on the acquisition, representation, and utilization of knowledge in support of diagnosis design of engineered systems and analysis of actual systems

Hybrid approaches for mobile robot navigation

The work described in this thesis contributes to the efficient solution of mobile robot navigation problems. A series of new evolutionary approaches is presented. Two novel evolutionary planners have been developed that reduce the computational overhead in generating plans of mobile robot movements. In comparison with the best-performing evolutionary scheme reported in the literature, the first of the planners significantly reduces the plan calculation time in static environments. The second planner was able to generate avoidance strategies in response to unexpected events arising from the presence of moving obstacles. To overcome limitations in responsiveness and the unrealistic assumptions regarding a priori knowledge that are inherent in planner-based and a vigation systems, subsequent work concentrated on hybrid approaches. These included a reactive component to identify rapidly and autonomously environmental features that were represented by a small number of critical waypoints. Not only is memory usage dramatically reduced by such a simplified representation, but also the calculation time to determine new plans is significantly reduced. Further significant enhancements of this work were firstly, dynamic avoidance to limit the likelihood of potential collisions with moving obstacles and secondly, exploration to identify statistically the dynamic characteristics of the environment. Finally, by retaining more extensive environmental knowledge gained during previous navigation activities, the capability of the hybrid navigation system was enhanced to allow planning to be performed for any start point and goal point

Machine learning methods for detecting structure in metabolic flow networks

Metabolic flow networks are large scale, mechanistic biological models with good predictive power. However, even when they provide good predictions, interpreting the meaning of their structure can be very difficult, especially for large networks which model entire organisms. This is an underaddressed problem in general, and the analytic techniques that exist currently are difficult to combine with experimental data. The central hypothesis of this thesis is that statistical analysis of large datasets of simulated metabolic fluxes is an effective way to gain insight into the structure of metabolic networks. These datasets can be either simulated or experimental, allowing insight on real world data while retaining the large sample sizes only easily possible via simulation. This work demonstrates that this approach can yield results in detecting structure in both a population of solutions and in the network itself. This work begins with a taxonomy of sampling methods over metabolic networks, before introducing three case studies, of different sampling strategies. Two of these case studies represent, to my knowledge, the largest datasets of their kind, at around half a million points each. This required the creation of custom software to achieve this in a reasonable time frame, and is necessary due to the high dimensionality of the sample space. Next, a number of techniques are described which operate on smaller datasets. These techniques, focused on pairwise comparison, show what can be achieved with these smaller datasets, and how in these cases, visualisation techniques are applicable which do not have simple analogues with larger datasets. In the next chapter, Similarity Network Fusion is used for the first time to cluster organisms across several levels of biological organisation, resulting in the detection of discrete, quantised biological states in the underlying datasets. This quantisation effect was maintained across both real biological data and Monte-Carlo simulated data, with related underlying biological correlates, implying that this behaviour stems from the network structure itself, rather than from the genetic or regulatory mechanisms that would normally be assumed. Finally, Hierarchical Block Matrices are used as a model of multi-level network structure, by clustering reactions using a variety of distance metrics: first standard network distance measures, then by Local Network Learning, a novel approach of measuring connection strength via the gain in predictive power of each node on its neighbourhood. The clusters uncovered using this approach are validated against pre-existing subsystem labels and found to outperform alternative techniques. Overall this thesis represents a significant new approach to metabolic network structure detection, as both a theoretical framework and as technological tools, which can readily be expanded to cover other classes of multilayer network, an under explored datatype across a wide variety of contexts. In addition to the new techniques for metabolic network structure detection introduced, this research has proved fruitful both in its use in applied biological research and in terms of the software developed, which is experiencing substantial usage.EPSR