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A Novel Approach to Prediction of the 3-Dimensional Structures of Protein Backbones by Neural Networks

Neural Information Processing Systems

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.


Qualitative structure from motion

Neural Information Processing Systems

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 by the 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.


Exploratory Feature Extraction in Speech Signals

Neural Information Processing Systems

A novel unsupervised neural network for dimensionality reduction which seeks directions emphasizing multimodality is presented, and its connection to exploratory projection pursuit methods is discussed. This leads to a new statistical insight to the synaptic modification equations governing learning in Bienenstock, Cooper, and Munro (BCM) neurons (1982). The importance of a dimensionality reduction principle based solely on distinguishing features, is demonstrated using a linguistically motivated phoneme recognition experiment, and compared with feature extraction using back-propagation network. 1 Introduction Due to the curse of dimensionality (Bellman, 1961) it is desirable to extract features from a high dimensional data space before attempting a classification. How to perform this feature extraction/dimensionality reduction is not that clear. A first simplification is to consider only features defined by linear (or semi-linear) projections of high dimensional data. This class of features is used in projection pursuit methods (see review in Huber, 1985). Even after this simplification, it is still difficult to characterize what interesting projections are, although it is easy to point at projections that are uninteresting. A statement that has recently been made precise by Diaconis and Freedman (1984) says that for most high-dimensional clouds, most low-dimensional projections are approximately normal. This finding suggests that the important information in the data is conveyed in those directions whose single dimensional projected distribution is far from Gaussian, especially at the center of the distribution.


Speech Recognition Using Demi-Syllable Neural Prediction Model

Neural Information Processing Systems

The Neural Prediction Model is the speech recognition model based on pattern prediction by multilayer perceptrons. Its effectiveness was confirmed by the speaker-independent digit recognition experiments. This paper presents an improvement in the model and its application to large vocabulary speech recognition, based on subword units. The improvement involves an introduction of "backward prediction," which further improves the prediction accuracy of the original model with only "forward prediction". In application of the model to speaker-dependent large vocabulary speech recognition, the demi-syllable unit is used as a subword recognition unit.


Statistical Mechanics of Temporal Association in Neural Networks

Neural Information Processing Systems

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 corresponds in that case to a downhill motion in an energy landscape created by the stored information. Methods of equilibrium statistical mechanics may be applied and permit a quantitative analysis of the asymptotic network behavior (Amit et al. 1985, 1987). The existence of a Lyapunov function is thus of great conceptual as well 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.


ART2/BP architecture for adaptive estimation of dynamic processes

Neural Information Processing Systems

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.


The Tempo 2 Algorithm: Adjusting Time-Delays By Supervised Learning

Neural Information Processing Systems

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

Neural Information Processing Systems

We describe a computational model of the development and regeneration of specific 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 Y oon. 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.


Neural Network Application to Diagnostics and Control of Vehicle Control Systems

Neural Information Processing 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.


Speech Recognition Using Demi-Syllable Neural Prediction Model

Neural Information Processing Systems

The Neural Prediction Model is the speech recognition model based on pattern prediction by multilayer perceptrons. Its effectiveness was confirmed bythe speaker-independent digit recognition experiments. This paper presents an improvement in the model and its application to large vocabulary speech recognition, based on subword units. The improvement involves an introduction of "backward prediction," which further improves the prediction accuracy of the original model with only "forward prediction". Inapplication of the model to speaker-dependent large vocabulary speech recognition, the demi-syllable unit is used as a subword recognition unit.