Neutrality: A Necessity for Self-Adaptation

Self-adaptation is used in all main paradigms of evolutionary computation to increase efficiency. We claim that the basis of self-adaptation is the use of neutrality. In the absence of external control neutrality allows a variation of the search distribution without the risk of fitness loss.Comment: 6 pages, 3 figures, LaTe

On Classes of Functions for which No Free Lunch Results Hold

In a recent paper it was shown that No Free Lunch results hold for any subset F of the set of all possible functions from a finite set X to a finite set Y iff F is closed under permutation of X. In this article, we prove that the number of those subsets can be neglected compared to the overall number of possible subsets. Further, we present some arguments why problem classes relevant in practice are not likely to be closed under permutation.Comment: 8 pages, 1 figure, see http://www.neuroinformatik.ruhr-uni-bochum.de

Smooth Monotonic Networks

Monotonicity constraints are powerful regularizers in statistical modelling. They can support fairness in computer supported decision making and increase plausibility in data-driven scientific models. The seminal min-max (MM) neural network architecture ensures monotonicity, but often gets stuck in undesired local optima during training because of vanishing gradients. We propose a simple modification of the MM network using strictly-increasing smooth non-linearities that alleviates this problem. The resulting smooth min-max (SMM) network module inherits the asymptotic approximation properties from the MM architecture. It can be used within larger deep learning systems trained end-to-end. The SMM module is considerably simpler and less computationally demanding than state-of-the-art neural networks for monotonic modelling. Still, in our experiments, it compared favorably to alternative neural and non-neural approaches in terms of generalization performance

On PAC-Bayesian Bounds for Random Forests

Existing guarantees in terms of rigorous upper bounds on the generalization error for the original random forest algorithm, one of the most frequently used machine learning methods, are unsatisfying. We discuss and evaluate various PAC-Bayesian approaches to derive such bounds. The bounds do not require additional hold-out data, because the out-of-bag samples from the bagging in the training process can be exploited. A random forest predicts by taking a majority vote of an ensemble of decision trees. The first approach is to bound the error of the vote by twice the error of the corresponding Gibbs classifier (classifying with a single member of the ensemble selected at random). However, this approach does not take into account the effect of averaging out of errors of individual classifiers when taking the majority vote. This effect provides a significant boost in performance when the errors are independent or negatively correlated, but when the correlations are strong the advantage from taking the majority vote is small. The second approach based on PAC-Bayesian C-bounds takes dependencies between ensemble members into account, but it requires estimating correlations between the errors of the individual classifiers. When the correlations are high or the estimation is poor, the bounds degrade. In our experiments, we compute generalization bounds for random forests on various benchmark data sets. Because the individual decision trees already perform well, their predictions are highly correlated and the C-bounds do not lead to satisfactory results. For the same reason, the bounds based on the analysis of Gibbs classifiers are typically superior and often reasonably tight. Bounds based on a validation set coming at the cost of a smaller training set gave better performance guarantees, but worse performance in most experiments

Big Universe, Big Data: Machine Learning and Image Analysis for Astronomy

Astrophysics and cosmology are rich with data. The advent of wide-area digital cameras on large aperture telescopes has led to ever more ambitious surveys of the sky. Data volumes of entire surveys a decade ago can now be acquired in a single night and real-time analysis is often desired. Thus, modern astronomy requires big data know-how, in particular it demands highly efficient machine learning and image analysis algorithms. But scalability is not the only challenge: Astronomy applications touch several current machine learning research questions, such as learning from biased data and dealing with label and measurement noise. We argue that this makes astronomy a great domain for computer science research, as it pushes the boundaries of data analysis. In the following, we will present this exciting application area for data scientists. We will focus on exemplary results, discuss main challenges, and highlight some recent methodological advancements in machine learning and image analysis triggered by astronomical applications

On the convergence of the Metropolis algorithm with fixed-order updates for multivariate binary probability distributions

The Metropolis algorithm is arguably the most fundamental Markov chain Monte Carlo (MCMC) method. But the algorithm is not guaranteed to converge to the desired distribution in the case of multivariate binary distributions (e.g., Ising models or stochastic neural networks such as Boltzmann machines) if the variables (sites or neurons) are updated in a fixed order, a setting commonly used in practice. The reason is that the corresponding Markov chain may not be irreducible. We propose a modified Metropolis transition operator that behaves almost always identically to the standard Metropolis operator and prove that it ensures irreducibility and convergence to the limiting distribution in the multivariate binary case with fixed-order updates. The result provides an explanation for the behaviour of Metropolis MCMC in that setting and closes a long-standing theoretical gap. We experimentally studied the standard and modified Metropolis operator for models were they actually behave differently. If the standard algorithm also converges, the modified operator exhibits similar (if not better) performance in terms of convergence speed