scholarly journals Resilient Computing with Reinforcement Learning on a Dynamical System: Case Study in Sorting

2018 ◽  
Author(s):  
Aleksandra Faust ◽  
James B. Aimone ◽  
Conred D. James ◽  
Lydia Tapia
Keyword(s):  
Dynamical System ◽  
Reinforcement Learning ◽  
Resilient Computing

Deep Reinforcement Learning for Multiparameter Optimization in de novo Drug Design

2019 ◽  
Author(s):  
Niclas Ståhl ◽  
Göran Falkman ◽  
Alexander Karlsson ◽  
Gunnar Mathiason ◽  
Jonas Boström
Keyword(s):  
Reinforcement Learning ◽  
Short Term Memory ◽  
De Novo ◽  
De Novo Drug Design ◽  
Generative Process ◽  
New Methods ◽  
Multiparameter Optimization ◽  
Long Short Term Memory ◽  
New Compounds

<p>In medicinal chemistry programs it is key to design and make compounds that are efficacious and safe. This is a long, complex and difficult multi-parameter optimization process, often including several properties with orthogonal trends. New methods for the automated design of compounds against profiles of multiple properties are thus of great value. Here we present a fragment-based reinforcement learning approach based on an actor-critic model, for the generation of novel molecules with optimal properties. The actor and the critic are both modelled with bidirectional long short-term memory (LSTM) networks. The AI method learns how to generate new compounds with desired properties by starting from an initial set of lead molecules and then improve these by replacing some of their fragments. A balanced binary tree based on the similarity of fragments is used in the generative process to bias the output towards structurally similar molecules. The method is demonstrated by a case study showing that 93% of the generated molecules are chemically valid, and a third satisfy the targeted objectives, while there were none in the initial set.</p>

Dynamic Data-Driven Spatiotemporal System Behavior Prediction With Simulations and Sensor Measurement Data

2018 ◽  
Author(s):  
Xiangxue Zhao ◽  
Shapour Azarm ◽  
Balakumar Balachandran
Keyword(s):  
Dynamical System ◽  
Real Time ◽  
Measurement Data ◽  
Data Driven ◽  
Sensor Data ◽  
Model Parameters ◽  
High Fidelity ◽  
System Behavior ◽  
Sensor Measurement

Online prediction of dynamical system behavior based on a combination of simulation data and sensor measurement data has numerous applications. Examples include predicting safe flight configurations, forecasting storms and wildfire spread, estimating railway track and pipeline health conditions. In such applications, high-fidelity simulations may be used to accurately predict a system’s dynamical behavior offline (“non-real time”). However, due to the computational expense, these simulations have limited usage for online (“real-time”) prediction of a system’s behavior. To remedy this, one possible approach is to allocate a significant portion of the computational effort to obtain data through offline simulations. The obtained offline data can then be combined with online sensor measurements for online estimation of the system’s behavior with comparable accuracy as the off-line, high-fidelity simulation. The main contribution of this paper is in the construction of a fast data-driven spatiotemporal prediction framework that can be used to estimate general parametric dynamical system behavior. This is achieved through three steps. First, high-order singular value decomposition is applied to map high-dimensional offline simulation datasets into a subspace. Second, Gaussian processes are constructed to approximate model parameters in the subspace. Finally, reduced-order particle filtering is used to assimilate sparsely located sensor data to further improve the prediction. The effectiveness of the proposed approach is demonstrated through a case study. In this case study, aeroelastic response data obtained for an aircraft through simulations is integrated with measurement data obtained from a few sparsely located sensors. Through this case study, the authors show that along with dynamic enhancement of the state estimates, one can also realize a reduction in uncertainty of the estimates.

A Reinforcement Learning - Great-Deluge Hyper-Heuristic for Examination Timetabling

2010 ◽  
Vol 1 (1) ◽  
pp. 39-59 ◽  
Author(s):  
Ender Özcan ◽  
Mustafa Misir ◽  
Gabriela Ochoa ◽  
Edmund K. Burke
Keyword(s):  
Reinforcement Learning ◽  
Complete Solution ◽  
Examination Timetabling ◽  
Low Level ◽  
Termination Criteria ◽  
Candidate Solution ◽  
Wide Range ◽  
Finite Set ◽  
Different Characteristics

Hyper-heuristics can be identified as methodologies that search the space generated by a finite set of low level heuristics for solving search problems. An iterative hyper-heuristic framework can be thought of as requiring a single candidate solution and multiple perturbation low level heuristics. An initially generated complete solution goes through two successive processes (heuristic selection and move acceptance) until a set of termination criteria is satisfied. A motivating goal of hyper-heuristic research is to create automated techniques that are applicable to a wide range of problems with different characteristics. Some previous studies show that different combinations of heuristic selection and move acceptance as hyper-heuristic components might yield different performances. This study investigates whether learning heuristic selection can improve the performance of a great deluge based hyper-heuristic using an examination timetabling problem as a case study.

Multi-Context Generation in Virtual Reality Environments Using Deep Reinforcement Learning

2020 ◽  
Author(s):  
James Cunningham ◽  
Christian Lopez ◽  
Omar Ashour ◽  
Conrad S. Tucker
Keyword(s):  
Virtual Reality ◽  
Reinforcement Learning ◽  
Virtual Environments ◽  
Probability Distributions ◽  
Automatic Generation ◽  
Grocery Store ◽  
Training Data ◽  
Learning Approaches ◽  
Common Concept

Abstract In this work, a Deep Reinforcement Learning (RL) approach is proposed for Procedural Content Generation (PCG) that seeks to automate the generation of multiple related virtual reality (VR) environments for enhanced personalized learning. This allows for the user to be exposed to multiple virtual scenarios that demonstrate a consistent theme, which is especially valuable in an educational context. RL approaches to PCG offer the advantage of not requiring training data, as opposed to other PCG approaches that employ supervised learning approaches. This work advances the state of the art in RL-based PCG by demonstrating the ability to generate a diversity of contexts in order to teach the same underlying concept. A case study is presented that demonstrates the feasibility of the proposed RL-based PCG method using examples of probability distributions in both manufacturing facility and grocery store virtual environments. The method demonstrated in this paper has the potential to enable the automatic generation of a variety of virtual environments that are connected by a common concept or theme.

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