scholarly journals Statistical Physics of Unsupervised Learning with Prior Knowledge in Neural Networks

2020 ◽  
Vol 124 (24) ◽  
Author(s):  
Tianqi Hou ◽  
Haiping Huang
2021 ◽  
Vol 7 (15) ◽  
pp. eabe4166
Author(s):  
Philippe Schwaller ◽  
Benjamin Hoover ◽  
Jean-Louis Reymond ◽  
Hendrik Strobelt ◽  
Teodoro Laino

Humans use different domain languages to represent, explore, and communicate scientific concepts. During the last few hundred years, chemists compiled the language of chemical synthesis inferring a series of “reaction rules” from knowing how atoms rearrange during a chemical transformation, a process called atom-mapping. Atom-mapping is a laborious experimental task and, when tackled with computational methods, requires continuous annotation of chemical reactions and the extension of logically consistent directives. Here, we demonstrate that Transformer Neural Networks learn atom-mapping information between products and reactants without supervision or human labeling. Using the Transformer attention weights, we build a chemically agnostic, attention-guided reaction mapper and extract coherent chemical grammar from unannotated sets of reactions. Our method shows remarkable performance in terms of accuracy and speed, even for strongly imbalanced and chemically complex reactions with nontrivial atom-mapping. It provides the missing link between data-driven and rule-based approaches for numerous chemical reaction tasks.


2014 ◽  
Vol 2014 ◽  
pp. 1-9 ◽  
Author(s):  
Taimoor Khan ◽  
Asok De

In the last decade, artificial neural networks have become very popular techniques for computing different performance parameters of microstrip antennas. The proposed work illustrates a knowledge-based neural networks model for predicting the appropriate shape and accurate size of the slot introduced on the radiating patch for achieving desired level of resonance, gain, directivity, antenna efficiency, and radiation efficiency for dual-frequency operation. By incorporating prior knowledge in neural model, the number of required training patterns is drastically reduced. Further, the neural model incorporated with prior knowledge can be used for predicting response in extrapolation region beyond the training patterns region. For validation, a prototype is also fabricated and its performance parameters are measured. A very good agreement is attained between measured, simulated, and predicted results.


2021 ◽  
Author(s):  
Michelangelo Diligenti ◽  
Francesco Giannini ◽  
Marco Gori ◽  
Marco Maggini ◽  
Giuseppe Marra

Neural-symbolic models bridge the gap between sub-symbolic and symbolic approaches, both of which have significant limitations. Sub-symbolic approaches, like neural networks, require a large amount of labeled data to be successful, whereas symbolic approaches, like logic reasoners, require a small amount of prior domain knowledge but do not easily scale to large collections of data. This chapter presents a general approach to integrate learning and reasoning that is based on the translation of the available prior knowledge into an undirected graphical model. Potentials on the graphical model are designed to accommodate dependencies among random variables by means of a set of trainable functions, like those computed by neural networks. The resulting neural-symbolic framework can effectively leverage the training data, when available, while exploiting high-level logic reasoning in a certain domain of discourse. Although exact inference is intractable within this model, different tractable models can be derived by making different assumptions. In particular, three models are presented in this chapter: Semantic-Based Regularization, Deep Logic Models and Relational Neural Machines. Semantic-Based Regularization is a scalable neural-symbolic model, that does not adapt the parameters of the reasoner, under the assumption that the provided prior knowledge is correct and must be exactly satisfied. Deep Logic Models preserve the scalability of Semantic-Based Regularization, while providing a flexible exploitation of logic knowledge by co-training the parameters of the reasoner during the learning procedure. Finally, Relational Neural Machines provide the fundamental advantages of perfectly replicating the effectiveness of training from supervised data of standard deep architectures, and of preserving the same generality and expressive power of Markov Logic Networks, when considering pure reasoning on symbolic data. The bonding between learning and reasoning is very general as any (deep) learner can be adopted, and any output structure expressed via First-Order Logic can be integrated. However, exact inference within a Relational Neural Machine is still intractable, and different factorizations are discussed to increase the scalability of the approach.


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