Learning Graphical Models
Identifying light sources using machine learning
The identification of light sources is very important for the development of photonic technologies such as light detection and ranging (LiDAR), and microscopy. Typically, a large number of measurements are needed to classify light sources such as sunlight, laser radiation, and molecule fluorescence. The identification has required collection of photon statistics or quantum state tomography. In recently published work, researchers have used a neural network to dramatically reduce the number of measurements required to discriminate thermal light from coherent light at the single-photon level. In their paper, authors from Louisiana State University, Universidad Nacional Autónoma de México and Max-Born-Institut describe their experimental and theoretical techniques.
Learning LWF Chain Graphs: an Order Independent Algorithm
Javidian, Mohammad Ali, Valtorta, Marco, Jamshidi, Pooyan
LWF chain graphs combine directed acyclic graphs and undirected graphs. We present a PC-like algorithm that finds the structure of chain graphs under the faithfulness assumption to resolve the problem of scalability of the proposed algorithm by Studeny (1997). We prove that our PC-like algorithm is order dependent, in the sense that the output can depend on the order in which the variables are given. This order dependence can be very pronounced in high-dimensional settings. We propose two modifications of the PC-like algorithm that remove part or all of this order dependence. Simulation results under a variety of settings demonstrate the competitive performance of the PC-like algorithms in comparison with the decomposition-based method, called LCD algorithm, proposed by Ma et al. (2008) in low-dimensional settings and improved performance in high-dimensional settings.
Modeling Penetration Testing with Reinforcement Learning Using Capture-the-Flag Challenges and Tabular Q-Learning
Zennaro, Fabio Massimo, Erdodi, Laszlo
Penetration testing is a security exercise aimed at assessing the security of a system by simulating attacks against it. So far, penetration testing has been carried out mainly by trained human attackers and its success critically depended on the available expertise. Automating this practice constitutes a non-trivial problem, as the range of actions that a human expert may attempts against a system and the range of knowledge she relies on to take her decisions are hard to capture. In this paper, we focus our attention on simplified penetration testing problems expressed in the form of capture the flag hacking challenges, and we apply reinforcement learning algorithms to try to solve them. In modelling these capture the flag competitions as reinforcement learning problems we highlight the specific challenges that characterize penetration testing. We observe these challenges experimentally across a set of varied simulations, and we study how different reinforcement learning techniques may help us addressing these challenges. In this way we show the feasibility of tackling penetration testing using reinforcement learning, and we highlight the challenges that must be taken into consideration, and possible directions to solve them.
Capturing Local and Global Patterns in Procedural Content Generation via Machine Learning
Volz, Vanessa, Justesen, Niels, Snodgrass, Sam, Asadi, Sahar, Purmonen, Sami, Holmgård, Christoffer, Togelius, Julian, Risi, Sebastian
Recent procedural content generation via machine learning (PCGML) methods allow learning from existing content to produce similar content automatically. While these approaches are able to generate content for different games (e.g. Super Mario Bros., DOOM, Zelda, and Kid Icarus), it is an open questions how well these approaches can capture large-scale visual patterns such as symmetry. In this paper, we propose match-three games as a domain to test PCGML algorithms regarding their ability to generate suitable patterns. We demonstrate that popular algorithm such as Generative Adversarial Networks struggle in this domain and propose adaptations to improve their performance. In particular we augment the neighborhood of a Markov Random Fields approach to not only take local but also symmetric positional information into account. We conduct several empirical tests including a user study that show the improvements achieved by the proposed modifications, and obtain promising results.
Review of Mathematical frameworks for Fairness in Machine Learning
del Barrio, Eustasio, Gordaliza, Paula, Loubes, Jean-Michel
With both the introduction of new ways of storing, sharing and streaming data and the drastic development of the capacity of computers to handle large computations, the conception of models have changed. Mathematical models were first designed following prior ideas or conjectures from physical or biological models, then tested by designing experiments to test the validity of the ideas of their inventors. The model holds until new observations enable to reject its assumptions. The so-called Big Data's area introduced a new paradigm. The observed data convey enough information to understand the complexity of real life and the more the data, the better the description of the reality. Hence building models optimised to fit the data has become an efficient way to obtain generalizable models able to describe and forecast the real world. In this framework, the principle of supervised machine learning is to build a decision rule from a set of labeled examples called the learning sample, that fits the data.
Probabilistic solution of chaotic dynamical system inverse problems using Bayesian Artificial Neural Networks
Green, David K. E., Rindler, Filip
This paper demonstrates the application of Bayesian Artificial Neural Networks to Ordinary Differential Equation (ODE) inverse problems. We consider the case of estimating an unknown chaotic dynamical system transition model from state observation data. Inverse problems for chaotic systems are numerically challenging as small perturbations in model parameters can cause very large changes in estimated forward trajectories. Bayesian Artificial Neural Networks can be used to simultaneously fit a model and estimate model parameter uncertainty. Knowledge of model parameter uncertainty can then be incorporated into the probabilistic estimates of the inferred system's forward time evolution. The method is demonstrated numerically by analysing the chaotic Sprott B system. Observations of the system are used to estimate a posterior predictive distribution over the weights of a parametric polynomial kernel Artificial Neural Network. It is shown that the proposed method is able to perform accurate time predictions. Further, the proposed method is able to correctly account for model uncertainties and provide useful prediction uncertainty bounds.
The prospects of quantum computing in computational molecular biology
Outeiral, Carlos, Strahm, Martin, Shi, Jiye, Morris, Garrett M., Benjamin, Simon C., Deane, Charlotte M.
Quantum computers can in principle solve certain problems exponentially more quickly than their classical counterparts. We have not yet reached the advent of useful quantum computation, but when we do, it will affect nearly all scientific disciplines. In this review, we examine how current quantum algorithms could revolutionize computational biology and bioinformatics. There are potential benefits across the entire field, from the ability to process vast amounts of information and run machine learning algorithms far more efficiently, to algorithms for quantum simulation that are poised to improve computational calculations in drug discovery, to quantum algorithms for optimization that may advance fields from protein structure prediction to network analysis. However, these exciting prospects are susceptible to "hype", and it is also important to recognize the caveats and challenges in this new technology. Our aim is to introduce the promise and limitations of emerging quantum computing technologies in the areas of computational molecular biology and bioinformatics.
qDKT: Question-centric Deep Knowledge Tracing
Sonkar, Shashank, Waters, Andrew E., Lan, Andrew S., Grimaldi, Phillip J., Baraniuk, Richard G.
Knowledge tracing (KT) models, e.g., the deep knowledge tracing (DKT) model, track an individual learner's acquisition of skills over time by examining the learner's performance on questions related to those skills. A practical limitation in most existing KT models is that all questions nested under a particular skill are treated as equivalent observations of a learner's ability, which is an inaccurate assumption in real-world educational scenarios. To overcome this limitation we introduce qDKT, a variant of DKT that models every learner's success probability on individual questions over time. First, qDKT incorporates graph Laplacian regularization to smooth predictions under each skill, which is particularly useful when the number of questions in the dataset is big. Second, qDKT uses an initialization scheme inspired by the fastText algorithm, which has found success in a variety of language modeling tasks. Our experiments on several real-world datasets show that qDKT achieves state-of-art performance on predicting learner outcomes. Because of this, qDKT can serve as a simple, yet tough-to-beat, baseline for new question-centric KT models.
Bayesian Stress Testing of Models in a Classification Hierarchy
Hasan, Bashar Awwad Shiekh, Kelly, Kate
Machine learning has seen in the last 5-10 years an explosion in its growth from a research centered area of computer science and mathematics to a driving force for innovation in every aspect of our lives [1, 2, 3]. This was driven mainly by the success of deep learning and the significant investment of big technology firms in open source machine learning research [4, 5, 6]. Real life machine learning based solutions often require a number of models to work together to achieve the business goal of the product(s) [7]. Such models can be trained independently or as part of an optimised training pipeline [8, 9]. Breaking down the product into multiple models has several advantages: I) It allows for parallel model development with model designers focused on solving relatively small and well-defined problems.
Dynamic Value Estimation for Single-Task Multi-Scene Reinforcement Learning
Training deep reinforcement learning agents on environments with multiple levels / scenes / conditions from the same task, has become essential for many applications aiming to achieve generalization and domain transfer from simulation to the real world [1,2]. While such a strategy is helpful with generalization, the use of multiple scenes significantly increases the variance of samples collected for policy gradient computations. Current methods continue to view this collection of scenes as a single Markov Decision Process (MDP) with a common value function; however, we argue that it is better to treat the collection as a single environment with multiple underlying MDPs. To this end, we propose a dynamic value estimation (DVE) technique for these multiple-MDP environments, motivated by the clustering effect observed in the value function distribution across different scenes. The resulting agent is able to learn a more accurate and scene-specific value function estimate (and hence the advantage function), leading to a lower sample variance. Our proposed approach is simple to accommodate with several existing implementations (like PPO, A3C) and results in consistent improvements for a range of ProcGen environments and the AI2-THOR framework based visual navigation task.