End-to-End Kernel Learning with Supervised Convolutional Kernel Networks

In this paper, we introduce a new image representation based on a multilayer kernel machine. Unlike traditional kernel methods where data representation is decoupled from the prediction task, we learn how to shape the kernel with supervision. We proceed by first proposing improvements of the recently-introduced convolutional kernel networks (CKNs) in the context of unsupervised learning; then, we derive backpropagation rules to take advantage of labeled training data. The resulting model is a new type of convolutional neural network, where optimizing the filters at each layer is equivalent to learning a linear subspace in a reproducing kernel Hilbert space (RKHS). We show that our method achieves reasonably competitive performance for image classification on some standard "deep learning" datasets such as CIFAR-10 and SVHN, and also for image super-resolution, demonstrating the applicability of our approach to a large variety of image-related tasks.Comment: to appear in Advances in Neural Information Processing Systems (NIPS

Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics.

The annotation of small molecules remains a major challenge in untargeted mass spectrometry-based metabolomics. We here critically discuss structured elucidation approaches and software that are designed to help during the annotation of unknown compounds. Only by elucidating unknown metabolites first is it possible to biologically interpret complex systems, to map compounds to pathways and to create reliable predictive metabolic models for translational and clinical research. These strategies include the construction and quality of tandem mass spectral databases such as the coalition of MassBank repositories and investigations of MS/MS matching confidence. We present in silico fragmentation tools such as MS-FINDER, CFM-ID, MetFrag, ChemDistiller and CSI:FingerID that can annotate compounds from existing structure databases and that have been used in the CASMI (critical assessment of small molecule identification) contests. Furthermore, the use of retention time models from liquid chromatography and the utility of collision cross-section modelling from ion mobility experiments are covered. Workflows and published examples of successfully annotated unknown compounds are included

Unifying an Introduction to Artificial Intelligence Course through Machine Learning Laboratory Experiences

This paper presents work on a collaborative project funded by the National Science Foundation that incorporates machine learning as a unifying theme to teach fundamental concepts typically covered in the introductory Artificial Intelligence courses. The project involves the development of an adaptable framework for the presentation of core AI topics. This is accomplished through the development, implementation, and testing of a suite of adaptable, hands-on laboratory projects that can be closely integrated into the AI course. Through the design and implementation of learning systems that enhance commonly-deployed applications, our model acknowledges that intelligent systems are best taught through their application to challenging problems. The goals of the project are to (1) enhance the student learning experience in the AI course, (2) increase student interest and motivation to learn AI by providing a framework for the presentation of the major AI topics that emphasizes the strong connection between AI and computer science and engineering, and (3) highlight the bridge that machine learning provides between AI technology and modern software engineering

Reinforcement Learning: A Survey

This paper surveys the field of reinforcement learning from a computer-science perspective. It is written to be accessible to researchers familiar with machine learning. Both the historical basis of the field and a broad selection of current work are summarized. Reinforcement learning is the problem faced by an agent that learns behavior through trial-and-error interactions with a dynamic environment. The work described here has a resemblance to work in psychology, but differs considerably in the details and in the use of the word ``reinforcement.'' The paper discusses central issues of reinforcement learning, including trading off exploration and exploitation, establishing the foundations of the field via Markov decision theory, learning from delayed reinforcement, constructing empirical models to accelerate learning, making use of generalization and hierarchy, and coping with hidden state. It concludes with a survey of some implemented systems and an assessment of the practical utility of current methods for reinforcement learning.Comment: See http://www.jair.org/ for any accompanying file

Fast Hierarchical Clustering and Other Applications of Dynamic Closest Pairs

We develop data structures for dynamic closest pair problems with arbitrary distance functions, that do not necessarily come from any geometric structure on the objects. Based on a technique previously used by the author for Euclidean closest pairs, we show how to insert and delete objects from an n-object set, maintaining the closest pair, in O(n log^2 n) time per update and O(n) space. With quadratic space, we can instead use a quadtree-like structure to achieve an optimal time bound, O(n) per update. We apply these data structures to hierarchical clustering, greedy matching, and TSP heuristics, and discuss other potential applications in machine learning, Groebner bases, and local improvement algorithms for partition and placement problems. Experiments show our new methods to be faster in practice than previously used heuristics.Comment: 20 pages, 9 figures. A preliminary version of this paper appeared at the 9th ACM-SIAM Symp. on Discrete Algorithms, San Francisco, 1998, pp. 619-628. For source code and experimental results, see http://www.ics.uci.edu/~eppstein/projects/pairs

Decision-making and problem-solving methods in automation technology

The state of the art in the automation of decision making and problem solving is reviewed. The information upon which the report is based was derived from literature searches, visits to university and government laboratories performing basic research in the area, and a 1980 Langley Research Center sponsored conferences on the subject. It is the contention of the authors that the technology in this area is being generated by research primarily in the three disciplines of Artificial Intelligence, Control Theory, and Operations Research. Under the assumption that the state of the art in decision making and problem solving is reflected in the problems being solved, specific problems and methods of their solution are often discussed to elucidate particular aspects of the subject. Synopses of the following major topic areas comprise most of the report: (1) detection and recognition; (2) planning; and scheduling; (3) learning; (4) theorem proving; (5) distributed systems; (6) knowledge bases; (7) search; (8) heuristics; and (9) evolutionary programming

Combined optimization of feature selection and algorithm parameters in machine learning of language

Comparative machine learning experiments have become an important methodology in empirical approaches to natural language processing (i) to investigate which machine learning algorithms have the 'right bias' to solve specific natural language processing tasks, and (ii) to investigate which sources of information add to accuracy in a learning approach. Using automatic word sense disambiguation as an example task, we show that with the methodology currently used in comparative machine learning experiments, the results may often not be reliable because of the role of and interaction between feature selection and algorithm parameter optimization. We propose genetic algorithms as a practical approach to achieve both higher accuracy within a single approach, and more reliable comparisons

Sparse Modeling for Image and Vision Processing

In recent years, a large amount of multi-disciplinary research has been conducted on sparse models and their applications. In statistics and machine learning, the sparsity principle is used to perform model selection---that is, automatically selecting a simple model among a large collection of them. In signal processing, sparse coding consists of representing data with linear combinations of a few dictionary elements. Subsequently, the corresponding tools have been widely adopted by several scientific communities such as neuroscience, bioinformatics, or computer vision. The goal of this monograph is to offer a self-contained view of sparse modeling for visual recognition and image processing. More specifically, we focus on applications where the dictionary is learned and adapted to data, yielding a compact representation that has been successful in various contexts.Comment: 205 pages, to appear in Foundations and Trends in Computer Graphics and Visio