A framework for empirical discovery

Previous research in machine learning has viewed the process of empirical discovery as search through a space of 'theoretical' terms. In this paper, we propose a problem space for empirical discovery, specifying six complementary operators for defining new terms that ease the statement of empirical laws. The six types of terms include: numeric attributes (such as PV/T); intrinsic properties (such as mass); composite objects (such as pairs of colliding balls); classes of objects (such as acids and alkalis); composite relations (such as chemical reactions); and classes of relations (such as combustion/oxidation). We review existing machine discovery systems in light of this framework, examining which parts of the problem space were, covered by these systems. Finally, we outline an integrated discovery system (IDS) we are constructing that includes all six of the operators and which should be able to discover a broad range of empirical laws

A cognitive architecture for learning in reactive environments

Previous research in machine learning has viewed the process of empirical discovery as search through a space of 'theoretical' terms. In this paper, we propose a problem space for empirical discovery, specifying six complementary operators for defining new terms that ease the statement of empirical laws. The six types of terms include: numeric attributes (such as PV/T); intrinsic properties (such as mass); composite objects (such as pairs of colliding balls); classes of objects (such as acids and alkalis); composite relations (such as chemical reactions); and classes of relations (such as combustion/oxidation). We review existing machine discovery systems in light of this framework, examining which parts of the problem space were, covered by these systems. Finally, we outline an integrated discovery system (IDS) we are constructing that includes all six of the operators and which should be able to discover a broad range of empirical laws

Towards an integrated discovery system

Previous research on machine discovery has focused on limited parts of the empirical discovery task. In this paper we describe IDS, an integrated system that addresses both qualitative and quantitative discovery. The program represents its knowledge in terms of qualitative schemas, which it discovers by interacting with a simulated physical environment. Once IDS has formulated a qualitative schema, it uses that schema to design experiments and to constrain the search for quantitative laws. We have carried out preliminary tests in the domain of heat phenomena. In this context the system has discovered both intrinsic properties, such as the melting point of substances, and numeric laws, such as the conservation of mass for objects going through a phase change

On the automated extraction of regression knowledge from databases

The advent of inexpensive, powerful computing systems, together with the increasing amount of available data, conforms one of the greatest challenges for next-century information science. Since it is apparent that much future analysis will be done automatically, a good deal of attention has been paid recently to the implementation of ideas and/or the adaptation of systems originally developed in machine learning and other computer science areas. This interest seems to stem from both the suspicion that traditional techniques are not well-suited for large-scale automation and the success of new algorithmic concepts in difficult optimization problems. In this paper, I discuss a number of issues concerning the automated extraction of regression knowledge from databases. By regression knowledge is meant quantitative knowledge about the relationship between a vector of predictors or independent variables (x) and a scalar response or dependent variable (y). A number of difficulties found in some well-known tools are pointed out, and a flexible framework avoiding many such difficulties is described and advocated. Basic features of a new tool pursuing this direction are reviewed

Representation of probabilistic scientific knowledge

This article is available through the Brunel Open Access Publishing Fund. Copyright © 2013 Soldatova et al; licensee BioMed Central Ltd.The theory of probability is widely used in biomedical research for data analysis and modelling. In previous work the probabilities of the research hypotheses have been recorded as experimental metadata. The ontology HELO is designed to support probabilistic reasoning, and provides semantic descriptors for reporting on research that involves operations with probabilities. HELO explicitly links research statements such as hypotheses, models, laws, conclusions, etc. to the associated probabilities of these statements being true. HELO enables the explicit semantic representation and accurate recording of probabilities in hypotheses, as well as the inference methods used to generate and update those hypotheses. We demonstrate the utility of HELO on three worked examples: changes in the probability of the hypothesis that sirtuins regulate human life span; changes in the probability of hypotheses about gene functions in the S. cerevisiae aromatic amino acid pathway; and the use of active learning in drug design (quantitative structure activity relation learning), where a strategy for the selection of compounds with the highest probability of improving on the best known compound was used. HELO is open source and available at https://github.com/larisa-soldatova/HELO.This work was partially supported by grant BB/F008228/1 from the UK Biotechnology & Biological Sciences Research Council, from the European Commission under the FP7 Collaborative Programme, UNICELLSYS, KU Leuven GOA/08/008 and ERC Starting Grant 240186

Discovering qualitative empirical laws

In this paper we describe GLAUBER, an AI system that models the scientific discovery of qualitative empirical laws. We have tested the system on data from the history of early chemistry, and it has rediscovered such concepts as acids, alkalis, and salts, as well as laws relating these concepts. After discussing GLAUBER we examine the program's relation to other discovery systems, particularly methods for conceptual clustering and language acquisition

Machine learning : techniques and foundations

The field of machine learning studies computational methods for acquiring new knowledge, new skills, and new ways to organize existing knowledge. In this paper we present some of the basic techniques and principles that underlie AI research on learning, including methods for learning from examples, learning in problem solving, learning by analogy, grammar acquisition, and machine discovery. In each case, we illustrate the techniques with paradigmatic examples

From cognitive science to cognitive neuroscience to neuroeconomics

As an emerging discipline, neuroeconomics faces considerable methodological and practical challenges. In this paper, I suggest that these challenges can be understood by exploring the similarities and dissimilarities between the emergence of neuroeconomics and the emergence of cognitive and computational neuroscience two decades ago. From these parallels, I suggest the major challenge facing theory formation in the neural and behavioural sciences is that of being under-constrained by data, making a detailed understanding of physical implementation necessary for theory construction in neuroeconomics. Rather than following a top-down strategy, neuroeconomists should be pragmatic in the use of available data from animal models, information regarding neural pathways and projections, computational models of neural function, functional imaging and behavioural data. By providing convergent evidence across multiple levels of organization, neuroeconomics will have its most promising prospects of success

Research and Education in Computational Science and Engineering

Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize systems, support decision-makers, and educate the scientific and engineering workforce. Informed by centuries of theory and experiment, CSE performs computational experiments to answer questions that neither theory nor experiment alone is equipped to answer. CSE provides scientists and engineers of all persuasions with algorithmic inventions and software systems that transcend disciplines and scales. Carried on a wave of digital technology, CSE brings the power of parallelism to bear on troves of data. Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the core of this transformation. However, a combination of disruptive developments---including the architectural complexity of extreme-scale computing, the data revolution that engulfs the planet, and the specialization required to follow the applications to new frontiers---is redefining the scope and reach of the CSE endeavor. This report describes the rapid expansion of CSE and the challenges to sustaining its bold advances. The report also presents strategies and directions for CSE research and education for the next decade.Comment: Major revision, to appear in SIAM Revie