In symbolic regression, the search for analytic models is typically driven purely by the prediction error observed on the training data samples. However, when the data samples do not sufficiently cover the input space, the prediction error does not provide sufficient guidance toward desired models. Standard symbolic regression techniques then yield models that are partially incorrect, for instance, in terms of their steady-state characteristics or local behavior. If these properties were considered already during the search process, more accurate and relevant models could be produced. We propose a multi-objective symbolic regression approach that is driven by both the training data and the prior knowledge of the properties the desired model should manifest. The properties given in the form of formal constraints are internally represented by a set of discrete data samples on which candidate models are exactly checked. The proposed approach was experimentally evaluated on three test problems with results clearly demonstrating its capability to evolve realistic models that fit the training data well while complying with the prior knowledge of the desired model characteristics at the same time. It outperforms standard symbolic regression by several orders of magnitude in terms of the mean squared deviation from a reference model.

The concept of free energy has its origins in 19th century thermodynamics, but has recently found its way into the behavioral and neural sciences, where it has been promoted for its wide applicability and has even been suggested as a fundamental principle of understanding intelligent behavior and brain function. We argue that there are essentially two different notions of free energy in current models of intelligent agency, that can both be considered as applications of Bayesian inference to the problem of action selection: one that appears when trading off accuracy and uncertainty based on a general maximum entropy principle, and one that formulates action selection in terms of minimizing an error measure that quantifies deviations of beliefs and policies from given reference models. The first approach provides a normative rule for action selection in the face of model uncertainty or when information-processing capabilities are limited. The second approach directly aims to formulate the action selection problem as an inference problem in the context of Bayesian brain theories, also known as Active Inference in the literature. We elucidate the main ideas and discuss critical technical and conceptual issues revolving around these two notions of free energy that both claim to apply at all levels of decision-making, from the high-level deliberation of reasoning down to the low-level information-processing of perception.

Counterfactual reasoning from logged data has become increasingly important for a large range of applications such as web advertising or healthcare. In this paper, we address the problem of counterfactual risk minimization for learning a stochastic policy with a continuous action space. Whereas previous works have mostly focused on deriving statistical estimators with importance sampling, we show that the optimization perspective is equally important for solving the resulting nonconvex optimization problems.Specifically, we demonstrate the benefits of proximal point algorithms and soft-clipping estimators which are more amenable to gradient-based optimization than classical hard clipping. We propose multiple synthetic, yet realistic, evaluation setups, and we release a new large-scale dataset based on web advertising data for this problem that is crucially missing public benchmarks.

When applying eigenvalue decomposition on the quadratic term matrix in a type of linear equally constrained quadratic programming (EQP), there exists a linear mapping to project optimal solutions between the new EQP formulation where $Q$ is diagonalized and the original formulation. Although such a mapping requires a particular type of equality constraints, it is generalizable to some real problems such as efficient frontier for portfolio allocation and classification of Least Square Support Vector Machines (LSSVM). The established mapping could be potentially useful to explore optimal solutions in subspace, but it is not very clear to the author. This work was inspired by similar work proved on unconstrained formulation discussed earlier in \cite{Tan}, but its current proof is much improved and generalized. To the author's knowledge, very few similar discussion appears in literature.

Anomaly detection is a method for discovering unusual and suspicious behavior. In many real-world scenarios, the examined events can be directly linked to the actions of an adversary, such as attacks on computer networks or frauds in financial operations. While the defender wants to discover such malicious behavior, the attacker seeks to accomplish their goal (e.g., exfiltrating data) while avoiding the detection. To this end, anomaly detectors have been used in a game-theoretic framework that captures these goals of a two-player competition. We extend the existing models to more realistic settings by (1) allowing both players to have continuous action spaces and by assuming that (2) the defender cannot perfectly observe the action of the attacker. We propose two algorithms for solving such games -- a direct extension of existing algorithms based on discretizing the feature space and linear programming and the second algorithm based on constrained learning. Experiments show that both algorithms are applicable for cases with low feature space dimensions but the learning-based method produces less exploitable strategies and it is scalable to higher dimensions. Moreover, we use real-world data to compare our approaches with existing classifiers in a data-exfiltration scenario via the DNS channel. The results show that our models are significantly less exploitable by an informed attacker.

This thesis contributes to the mathematical foundation of domain adaptation as emerging field in machine learning. In contrast to classical statistical learning, the framework of domain adaptation takes into account deviations between probability distributions in the training and application setting. Domain adaptation applies for a wider range of applications as future samples often follow a distribution that differs from the ones of the training samples. A decisive point is the generality of the assumptions about the similarity of the distributions. Therefore, in this thesis we study domain adaptation problems under as weak similarity assumptions as can be modelled by finitely many moments.

When quantizing neural networks, assigning each floating-point weight to its nearest fixed-point value is the predominant approach. We find that, perhaps surprisingly, this is not the best we can do. In this paper, we propose AdaRound, a better weight-rounding mechanism for post-training quantization that adapts to the data and the task loss. AdaRound is fast, does not require fine-tuning of the network, and only uses a small amount of unlabelled data. We start by theoretically analyzing the rounding problem for a pre-trained neural network. By approximating the task loss with a Taylor series expansion, the rounding task is posed as a quadratic unconstrained binary optimization problem. We simplify this to a layer-wise local loss and propose to optimize this loss with a soft relaxation. AdaRound not only outperforms rounding-to-nearest by a significant margin but also establishes a new state-of-the-art for post-training quantization on several networks and tasks. Without fine-tuning, we can quantize the weights of Resnet18 and Resnet50 to 4 bits while staying within an accuracy loss of 1%.

Stochastic block models (SBMs) are often used to find assortative community structures in networks, such that the probability of connections within communities is higher than in between communities. However, classic SBMs are not limited to assortative structures. In this study, we discuss the implications of this model-inherent indifference towards assortativity or disassortativity, and show that this characteristic can lead to undesirable outcomes for networks which are presupposedy assortative but which contain a reduced amount of information. To circumvent this issue, we introduce a constrained SBM that imposes strong assortativity constraints, along with efficient algorithmic approaches to solve it. These constraints significantly boost community recovery capabilities in regimes that are close to the information-theoretic threshold. They also permit to identify structurally-different communities in networks representing cerebral-cortex activity regions.

We develop a method for computing policies in Markov decision processes with risk-sensitive measures subject to temporal logic constraints. Specifically, we use a particular risk-sensitive measure from cumulative prospect theory, which has been previously adopted in psychology and economics. The nonlinear transformation of the probabilities and utility functions yields a nonlinear programming problem, which makes computation of optimal policies typically challenging. We show that this nonlinear weighting function can be accurately approximated by the difference of two convex functions. This observation enables efficient policy computation using convex-concave programming. We demonstrate the effectiveness of the approach on several scenarios.

We give safe screening rules to eliminate variables from regression with $\ell_0$ regularization or cardinality constraint. These rules are based on guarantees that a feature may or may not be selected in an optimal solution. The screening rules can be computed from a convex relaxation solution in linear time, without solving the $\ell_0$ optimization problem. Thus, they can be used in a preprocessing step to safely remove variables from consideration apriori. Numerical experiments on real and synthetic data indicate that, on average, 76\% of the variables can be fixed to their optimal values, hence, reducing the computational burden for optimization substantially. Therefore, the proposed fast and effective screening rules extend the scope of algorithms for $\ell_0$-regression to larger data sets.