Simulation assisted machine learning

Motivation: In a predictive modeling setting, if sufficient details of the system behavior are known, one can build and use a simulation for making predictions. When sufficient system details are not known, one typically turns to machine learning, which builds a black-box model of the system using a large dataset of input sample features and outputs. We consider a setting which is between these two extremes: some details of the system mechanics are known but not enough for creating simulations that can be used to make high quality predictions. In this context we propose using approximate simulations to build a kernel for use in kernelized machine learning methods, such as support vector machines. The results of multiple simulations (under various uncertainty scenarios) are used to compute similarity measures between every pair of samples: sample pairs are given a high similarity score if they behave similarly under a wide range of simulation parameters. These similarity values, rather than the original high dimensional feature data, are used to build the kernel. Results: We demonstrate and explore the simulation based kernel (SimKern) concept using four synthetic complex systems--three biologically inspired models and one network flow optimization model. We show that, when the number of training samples is small compared to the number of features, the SimKern approach dominates over no-prior-knowledge methods. This approach should be applicable in all disciplines where predictive models are sought and informative yet approximate simulations are available. Availability: The Python SimKern software, the demonstration models (in MATLAB, R), and the datasets are available at https://github.com/davidcraft/SimKern.Comment: This manuscript has been accepted for publication in Bioinformatics published by Oxford University Press: https://doi.org/10.1093/bioinformatics/btz199 (open access). Timo M. Deist and Andrew Patti contributed equally to this wor

Simulation-Assisted Decorrelation for Resonant Anomaly Detection

A growing number of weak- and unsupervised machine learning approaches to anomaly detection are being proposed to significantly extend the search program at the Large Hadron Collider and elsewhere. One of the prototypical examples for these methods is the search for resonant new physics, where a bump hunt can be performed in an invariant mass spectrum. A significant challenge to methods that rely entirely on data is that they are susceptible to sculpting artificial bumps from the dependence of the machine learning classifier on the invariant mass. We explore two solutions to this challenge by minimally incorporating simulation into the learning. In particular, we study the robustness of Simulation Assisted Likelihood-free Anomaly Detection (SALAD) to correlations between the classifier and the invariant mass. Next, we propose a new approach that only uses the simulation for decorrelation but the Classification without Labels (CWoLa) approach for achieving signal sensitivity. Both methods are compared using a full background fit analysis on simulated data from the LHC Olympics and are robust to correlations in the data.Comment: 17 pages, 7 figure

Digital quantum simulation of an extended Agassi model: Using machine learning to disentangle its phase-diagram

A digital quantum simulation for the extended Agassi model is proposed using a quantum platform with eight trapped ions. The extended Agassi model is an analytically solvable model including both short range pairing and long range monopole-monopole interactions with applications in nuclear physics and in other many-body systems. In addition, it owns a rich phase diagram with different phases and the corresponding phase transition surfaces. The aim of this work is twofold: on one hand, to propose a quantum simulation of the model at the present limits of the trapped ions facilities and, on the other hand, to show how to use a machine learning algorithm on top of the quantum simulation to accurately determine the phase of the system. Concerning the quantum simulation, this proposal is scalable with polynomial resources to larger Agassi systems. Digital quantum simulations of nuclear physics models assisted by machine learning may enable one to outperform the fastest classical computers in determining fundamental aspects of nuclear matter.Comment: 15 pages, 11 figures. New title and minor changes. Published in PR

Usage of Network Simulators in Machine-Learning-Assisted 5G/6G Networks

Without any doubt, Machine Learning (ML) will be an important driver of future communications due to its foreseen performance when applied to complex problems. However, the application of ML to networking systems raises concerns among network operators and other stakeholders, especially regarding trustworthiness and reliability. In this paper, we devise the role of network simulators for bridging the gap between ML and communications systems. In particular, we present an architectural integration of simulators in ML-aware networks for training, testing, and validating ML models before being applied to the operative network. Moreover, we provide insights on the main challenges resulting from this integration, and then give hints discussing how they can be overcome. Finally, we illustrate the integration of network simulators into ML-assisted communications through a proof-of-concept testbed implementation of a residential Wi-Fi network