Genre
A Novel Approach to Prediction of the 3-Dimensional Structures of Protein Backbones by Neural Networks
Fredholm, Henrik, Bohr, Henrik, Bohr, Jakob, Brunak, Søren, Cotterill, Rodney M. J., Lautrup, Benny, Petersen, Steffen B.
Since Kendrew & Perutz solved the first protein structures, myoglobin and hemoglobin, and explained from the discovered structures how these proteins perform their function, it has been widely recognized that protein function is intimately linked with protein structure[l]. Within the last two decades X-ray crystallographers have solved the 3-dimensional (3D) structures of a steadily increasing number of proteins in the crystalline state, and recently 2D-NMR spectroscopy has emerged as an alternative method for small proteins in solution. Today approximately three hundred 3D structures have been solved by these methods, although only about half of them can be considered as truly different, and only around a hundred of them are solved at high resolution (that is, less than 2A). The number of protein sequences known today is well over 20,000, and this number seems to be growing at least one order of magnitude faster than the number of known 3D protein structures. Obviously, it is of great importance to develop tools that can predict structural aspects of proteins on the basis of knowledge acquired from known 3D structures.
Kohonen Networks and Clustering: Comparative Performance in Color Clustering
Snyder, Wesley, Nissman, Daniel, Bout, David Van den, Bilbro, Griff
"vector quantization", and "unsupervised learning" are all words which descn'be the same process: assigning a few exemplars to represent a large set of samples. Perfonning that process is the subject of a substantial body of literature. In this paper, we are concerned with the comparison of various clustering techniques to a particular, practical application: color clustering. The color clustering problem is as follows: an image is recorded in full color -- that is, three components, RED, GREEN, and BLUE, each of which has been measured to 8 bits of precision. Thus, each pixel is a 24 bit quantity. We must find a representation in which 2563 possible colors are represented by only 8 bits per pixel. That is, for a problem with 256000 variables (512 x 512) variables, assign each variable to one of only 256 classes. The color clustering problem is currently of major economic interest since millions of display systems are sold each year which can only store 8 bits per pixel, but on which users would like to be able to display "true" color (or at least as near true color as possible). In this study, we have approached the problem using the standard techniques from the literature (including k-means -- ISODATA clustering[1,3,61, LBG[4]), competitive learning (referred to as CL herein) [2], and Kohonen feature maps [5,7,9].
ART2/BP architecture for adaptive estimation of dynamic processes
The goal has been to construct a supervised artificial neural network that learns incrementally an unknown mapping. As a result a network consisting of a combination of ART2 and backpropagation is proposed and is called an "ART2/BP" network. The ART2 network is used to build and focus a supervised backpropagation network. The ART2/BP network has the advantage of being able to dynamically expand itself in response to input patterns containing new information. Simulation results show that the ART2/BP network outperforms a classical maximum likelihood method for the estimation of a discrete dynamic and nonlinear transfer function.
Adaptive Range Coding
Rosen, Bruce E., Goodwin, James M., Vidal, Jacques J.
Determination of nearly optimalt or at least adequatet regions is left as an additional task that would require that the system dynamics be analyzedt which is not always possible. To address this problemt we move region boundaries adaptively t progressively altering the initial partitioning to a more appropriate representation with no need for a priori knowledge. Unlike previous work (Michiet 1968)t (Bartot 1983)t (Andersont 1982) which used fixed coderSt this approach produces adaptive coders that contract and expand regions/ranges. During adaptationt frequently active regions/ranges contractt reducing the number of situations in which they will be activated, and increasing the chances that neighboring regions will receive input instead. This class of self-organization is discussed in Kohonen (Kohonent 1984)t (Rittert 1986t 1988).
Adaptive Range Coding
Rosen, Bruce E., Goodwin, James M., Vidal, Jacques J.
Determination of nearly optimalt or at least adequatet regions is left as an additional task that would require that the system dynamics be analyzedt which is not always possible. To address this problemt we move region boundaries adaptively t progressively altering the initial partitioning to a more appropriate representation with no need for a priori knowledge. Unlike previous work (Michiet 1968)t (Bartot 1983)t (Andersont 1982) which used fixed this approach produces adaptivecoderSt coders that contract and expand regions/ranges. During adaptationt frequently active regions/ranges contractt reducing the number of situations in which they will be activated, and increasing the chances that neighboring regions will receive input instead. This class of self-organization is discussed in Kohonen (Kohonent 1984)t (Rittert 1986t 1988).
The Tempo 2 Algorithm: Adjusting Time-Delays By Supervised Learning
Bodenhausen, Ulrich, Waibel, Alex
In this work we describe a new method that adjusts time-delays and the widths of time-windows in artificial neural networks automatically. The input of the units are weighted by a gaussian input-window over time which allows the learning rules for the delays and widths to be derived in the same way as it is used for the weights. Our results on a phoneme classification task compare well with results obtained with the TDNN by Waibel et al., which was manually optimized for the same task.
Further Studies of a Model for the Development and Regeneration of Eye-Brain Maps
Cowan, Jack D., Friedman, A. E.
We describe a computational model of the development and regeneration ofspecific eye-brain circuits. The model comprises a self-organizing map-forming network which uses local Hebb rules, constrained by (genetically determined) molecular markers. Various simulations of the development and regeneration of eye-brain maps in fish and frogs are described, in particular successful simulations of experiments by Schmidt-Cicerone-Easter; Meyer; and Yoon. 1 INTRODUCTION In a previous paper published in last years proceedings (Cowan & Friedman 1990) we outlined a new computational model for the development and regeneration of eye-brain maps. We indicated that such a model can simulate the results of a number of the more complicated surgical manipulations carried out on the visual pathways of goldfish and frogs. In this paper we describe in more detail some of these experiments, and our simulations of them.
Qualitative structure from motion
I have presented a qualitative approach to the problem of recovering object structure from motion information and discussed some of its computational, psychophysical and implementational aspects. The computation of qualitative shape, as represented bythe sign of the Gaussian curvature, can be performed by a field of simple operators, in parallel over the entire image. The performance of a qualitative shape detection module, implemented by an artificial neural network, appears to be similar to the performance of human subjects in an identical task.
Statistical Mechanics of Temporal Association in Neural Networks
Herz, Andreas V. M., Li, Zhaoping, Hemmen, J. Leo van
Basic computational functions of associative neural structures may be analytically studied within the framework of attractor neural networks where static patterns are stored as stable fixed-points for the system's dynamics. If the interactions between single neurons are instantaneous and mediated by symmetric couplings, there is a Lyapunov function for the retrieval dynamics (Hopfield 1982). The global computation correspondsin that case to a downhill motion in an energy landscape created by the stored information. Methods of equilibrium statistical mechanics may be applied andpermit a quantitative analysis of the asymptotic network behavior (Amit et al. 1985, 1987). The existence of a Lyapunov function is thus of great conceptual aswell as technical importance. Nevertheless, one should be aware that environmental inputs to a neural net always provide information in both space and time. It is therefore desirable to extend the original Hopfield scheme and to explore possibilities for a joint representation of static patterns and temporal associations.
Neural Network Application to Diagnostics and Control of Vehicle Control Systems
Diagnosis of faults in complex, real-time control systems is a complicated task that has resisted solution by traditional methods. We have shown that neural networks can be successfully employed to diagnose faults in digitally controlled powertrain systems. This paper discusses the means we use to develop the appropriate databases for training and testing in order to select the optimum network architectures and to provide reasonable estimates of the classification accuracy of these networks on new samples of data.