Predicting Temporal Activation Patterns via Recurrent Neural Networks

Author(s):  
Giuseppe Manco ◽  
Giuseppe Pirrò ◽  
Ettore Ritacco
2003 ◽  
Vol 15 (8) ◽  
pp. 1931-1957 ◽  
Author(s):  
Peter Tiňo ◽  
Barbara Hammer

We have recently shown that when initialized with “small” weights, recurrent neural networks (RNNs) with standard sigmoid-type activation functions are inherently biased toward Markov models; even prior to any training, RNN dynamics can be readily used to extract finite memory machines (Hammer & Tiňo, 2002; Tiňo, Čerňanský, &Beňušková, 2002a, 2002b). Following Christiansen and Chater (1999), we refer to this phenomenon as the architectural bias of RNNs. In this article, we extend our work on the architectural bias in RNNs by performing a rigorous fractal analysis of recurrent activation patterns. We assume the network is driven by sequences obtained by traversing an underlying finite-state transition diagram&a scenario that has been frequently considered in the past, for example, when studying RNN-based learning and implementation of regular grammars and finite-state transducers. We obtain lower and upper bounds on various types of fractal dimensions, such as box counting and Hausdorff dimensions. It turns out that not only can the recurrent activations inside RNNs with small initial weights be explored to build Markovian predictive models, but also the activations form fractal clusters, the dimension of which can be bounded by the scaled entropy of the underlying driving source. The scaling factors are fixed and are given by the RNN parameters.


2020 ◽  
Author(s):  
Dean Sumner ◽  
Jiazhen He ◽  
Amol Thakkar ◽  
Ola Engkvist ◽  
Esben Jannik Bjerrum

<p>SMILES randomization, a form of data augmentation, has previously been shown to increase the performance of deep learning models compared to non-augmented baselines. Here, we propose a novel data augmentation method we call “Levenshtein augmentation” which considers local SMILES sub-sequence similarity between reactants and their respective products when creating training pairs. The performance of Levenshtein augmentation was tested using two state of the art models - transformer and sequence-to-sequence based recurrent neural networks with attention. Levenshtein augmentation demonstrated an increase performance over non-augmented, and conventionally SMILES randomization augmented data when used for training of baseline models. Furthermore, Levenshtein augmentation seemingly results in what we define as <i>attentional gain </i>– an enhancement in the pattern recognition capabilities of the underlying network to molecular motifs.</p>


Author(s):  
Faisal Ladhak ◽  
Ankur Gandhe ◽  
Markus Dreyer ◽  
Lambert Mathias ◽  
Ariya Rastrow ◽  
...  

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