Peak-particle dynamics-based simulated annealing was combined with the Hungarian algorithm for local optimization, and a residue-based score was introduced to distinguish between reliable assignments and “unassigned” resonances for which no reliable assignment can be established. Molecular dynamics simulation techniques are used to calculate a trajectory of the system of peak-particles subjected to the potential function in order to find energetically optimal configurations that correspond to correct assignments. Schmucki, Roland Yokoyama, Shigeyuki Güntert, PeterĪ new algorithm, DYNASSIGN, for the automated assignment of NMR chemical shift resonances was developed in which expected cross peaks in multidimensional NMR spectra are represented by peak-particles and assignment restraints are translated into a potential energy function. Learning & Motivation, 1971, 2, 148–163.Automated assignment of NMR chemical shifts using peak-particle dynamics simulation with the DYNASSIGN algorithm Automated assignment of NMR chemical shifts using peak-particle dynamics simulation with the. Journal of the Experimental Analysis of Behavior, 1968, 11, 727–741. Discrimination learning, the peak shift, and behavioral contrast. Wavelength generalization after discrimination learning with and without errors. Journal of the Experimental Analysis of Behavior, 1969, 12, 759–766 Reinforcement duration and peak shift in post-discrimination gradients. Miami symposium on the prediction of behavior. “Attention-like” processes in classical conditioning. Stanford: Stanford University Press, 1965. Generalization gradients and the concept of inhibition. Journal of Experimental Psychology, 1959, 58, 145–152. Differential effects of continuous extinction and discrimination training on the generalization gradient. Journal of Experimental Psychology, 1962, 64, 239–248. Prediction of preference, transposition, and transposition-reversal from the generalization gradient. Fundamental issues in assoeiative learning. Excitation, inhibition and discrimination learning. Journal of Experimental Psychology, 1959, 58, 321–334. Effects of discrimination training on stimulus generalization. Journal of Experimental Psychology, 1959, 58, 335–340. Generalization gradients around stimuli associated with different reinforcement schedules. Journal of the Experimental Analysis of Behavior, 1968, 11, 39–49. The peak shift in stimulus generalization: Equivalent effects of errors and non-contingent shock. Proceedings of the 79th Annual Convention, American Psychological Association, 1971, 681–682. Discrimination and generalization with an alternative response. Sutherland (Eds.), Animal discrimination learning. A general description of the conditions for peak shift and peak-shift failure is briefly suggested.īloomfield, T. The results suggest that peak shift can result from the interaction of stimulus control from each of two “excitatory” stimuli, if each controls a response that interferes with the response controlled by the other. For Group 3 a separate gradient was obtained for responses to each key, and each of these gradients was shifted away from the wavelength that signaled reinforcement on the other key. In agreement with previous results, Group 1 yielded generalization gradients peaked at 550 nm, and Group 2 produced peaks shifted away from S−. Group 3 received successive training, but 559 nm was not associated with extinction rather, in the presence of 559 nm, the birds were reinforced on VI 1 min for pecking a second key. Group 2 received successive single-key discrimination training between 550 nm as S+ and 559 nm as S− (extinction) before the test. All birds were tested for generalization to 550 nm and 10 other wavelengths, following three variations of training as follows: Group 1 received only single-stimulus training to 550 nm before the test. Thirteen pigeons were reinforced on a 1-min variable-interval schedule (VI 1 min) for pecking at a key illuminated by a 550-nm light.
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