Binary Losses for Density Ratio Estimation

Estimating the ratio of two probability densities from finitely many observations of the densities, is a central problem in machine learning and statistics. A large class of methods constructs estimators from binary classifiers which distinguish observations from the two densities. However, the error of these constructions depends on the choice of the binary loss function, raising the question of which loss function to choose based on desired error properties. In this work, we start from prescribed error measures in a class of Bregman divergences and characterize all loss functions that lead to density ratio estimators with a small error. Our characterization provides a simple recipe for constructing loss functions with certain properties, such as loss functions that prioritize an accurate estimation of large values. This contrasts with classical loss functions, such as the logistic loss or boosting loss, which prioritize accurate estimation of small values. We provide numerical illustrations with kernel methods and test their performance in applications of parameter selection for deep domain adaptation.

Overcoming Saturation in Density Ratio Estimation by Iterated Regularization

Estimating the ratio of two probability densities from finitely many samples, is a central task in machine learning and statistics. In this work, we show that a large class of kernel methods for density ratio estimation suffers from error saturation, which prevents algorithms from achieving fast error convergence rates on highly regular learning problems. To resolve saturation, we introduce iterated regularization in density ratio estimation to achieve fast error rates. Our methods outperform its non-iteratively regularized versions on benchmarks for density ratio estimation as well as on large-scale evaluations for importance-weighted ensembling of deep unsupervised domain adaptation models.

SymbolicAI: A framework for logic-based approaches combining generative models and solvers

We introduce SymbolicAI, a versatile and modular framework employing a logic-based approach to concept learning and flow management in generative processes. SymbolicAI enables the seamless integration of generative models with a diverse range of solvers by treating large language models (LLMs) as semantic parsers that execute tasks based on both natural and formal language instructions, thus bridging the gap between symbolic reasoning and generative AI. We leverage probabilistic programming principles to tackle complex tasks, and utilize differentiable and classical programming paradigms with their respective strengths. The framework introduces a set of polymorphic, compositional, and self-referential operations for data stream manipulation, aligning LLM outputs with user objectives. As a result, we can transition between the capabilities of various foundation models endowed with zero- and few-shot learning capabilities and specialized, fine-tuned models or solvers proficient in addressing specific problems. In turn, the framework facilitates the creation and evaluation of explainable computational graphs. We conclude by introducing a quality measure and its empirical score for evaluating these computational graphs, and propose a benchmark that compares various state-of-the-art LLMs across a set of complex workflows. We refer to the empirical score as the "Vector Embedding for Relational Trajectory Evaluation through Cross-similarity", or VERTEX score for short. The framework codebase and benchmark are linked below.

On regularized Radon-Nikodym differentiation

We discuss the problem of estimating Radon-Nikodym derivatives. This problem appears in various applications, such as covariate shift adaptation, likelihood-ratio testing, mutual information estimation, and conditional probability estimation. To address the above problem, we employ the general regularization scheme in reproducing kernel Hilbert spaces. The convergence rate of the corresponding regularized algorithm is established by taking into account both the smoothness of the derivative and the capacity of the space in which it is estimated. This is done in terms of general source conditions and the regularized Christoffel functions. We also find that the reconstruction of Radon-Nikodym derivatives at any particular point can be done with high order of accuracy. Our theoretical results are illustrated by numerical simulations.

Adaptive learning of density ratios in RKHS

Estimating the ratio of two probability densities from finitely many observations of the densities is a central problem in machine learning and statistics with applications in two-sample testing, divergence estimation, generative modeling, covariate shift adaptation, conditional density estimation, and novelty detection. In this work, we analyze a large class of density ratio estimation methods that minimize a regularized Bregman divergence between the true density ratio and a model in a reproducing kernel Hilbert space (RKHS). We derive new finite-sample error bounds, and we propose a Lepskii type parameter choice principle that minimizes the bounds without knowledge of the regularity of the density ratio. In the special case of quadratic loss, our method adaptively achieves a minimax optimal error rate. A numerical illustration is provided.

General regularization in covariate shift adaptation

Sample reweighting is one of the most widely used methods for correcting the error of least squares learning algorithms in reproducing kernel Hilbert spaces (RKHS), that is caused by future data distributions that are different from the training data distribution. In practical situations, the sample weights are determined by values of the estimated Radon-Nikod\'ym derivative, of the future data distribution w.r.t.~the training data distribution. In this work, we review known error bounds for reweighted kernel regression in RKHS and obtain, by combination, novel results. We show under weak smoothness conditions, that the amount of samples, needed to achieve the same order of accuracy as in the standard supervised learning without differences in data distributions, is smaller than proven by state-of-the-art analyses.

Addressing Parameter Choice Issues in Unsupervised Domain Adaptation by Aggregation

We study the problem of choosing algorithm hyper-parameters in unsupervised domain adaptation, i.e., with labeled data in a source domain and unlabeled data in a target domain, drawn from a different input distribution. We follow the strategy to compute several models using different hyper-parameters, and, to subsequently compute a linear aggregation of the models. While several heuristics exist that follow this strategy, methods are still missing that rely on thorough theories for bounding the target error. In this turn, we propose a method that extends weighted least squares to vector-valued functions, e.g., deep neural networks. We show that the target error of the proposed algorithm is asymptotically not worse than twice the error of the unknown optimal aggregation. We also perform a large scale empirical comparative study on several datasets, including text, images, electroencephalogram, body sensor signals and signals from mobile phones. Our method outperforms deep embedded validation (DEV) and importance weighted validation (IWV) on all datasets, setting a new state-of-the-art performance for solving parameter choice issues in unsupervised domain adaptation with theoretical error guarantees. We further study several competitive heuristics, all outperforming IWV and DEV on at least five datasets. However, our method outperforms each heuristic on at least five of seven datasets.

Domain Generalization by Functional Regression

The problem of domain generalization is to learn, given data from different source distributions, a model that can be expected to generalize well on new target distributions which are only seen through unlabeled samples. In this paper, we study domain generalization as a problem of functional regression. Our concept leads to a new algorithm for learning a linear operator from marginal distributions of inputs to the corresponding conditional distributions of outputs given inputs. Our algorithm allows a source distribution-dependent construction of reproducing kernel Hilbert spaces for prediction, and, satisfies finite sample error bounds for the idealized risk. Numerical implementations and source code are available.

Few-Shot Learning by Dimensionality Reduction in Gradient Space

We introduce SubGD, a novel few-shot learning method which is based on the recent finding that stochastic gradient descent updates tend to live in a low-dimensional parameter subspace. In experimental and theoretical analyses, we show that models confined to a suitable predefined subspace generalize well for few-shot learning. A suitable subspace fulfills three criteria across the given tasks: it (a) allows to reduce the training error by gradient flow, (b) leads to models that generalize well, and (c) can be identified by stochastic gradient descent. SubGD identifies these subspaces from an eigendecomposition of the auto-correlation matrix of update directions across different tasks. Demonstrably, we can identify low-dimensional suitable subspaces for few-shot learning of dynamical systems, which have varying properties described by one or few parameters of the analytical system description. Such systems are ubiquitous among real-world applications in science and engineering. We experimentally corroborate the advantages of SubGD on three distinct dynamical systems problem settings, significantly outperforming popular few-shot learning methods both in terms of sample efficiency and performance.

Wild Patterns Reloaded: A Survey of Machine Learning Security against Training Data Poisoning

The success of machine learning is fueled by the increasing availability of computing power and large training datasets. The training data is used to learn new models or update existing ones, assuming that it is sufficiently representative of the data that will be encountered at test time. This assumption is challenged by the threat of poisoning, an attack that manipulates the training data to compromise the model's performance at test time. Although poisoning has been acknowledged as a relevant threat in industry applications, and a variety of different attacks and defenses have been proposed so far, a complete systematization and critical review of the field is still missing. In this survey, we provide a comprehensive systematization of poisoning attacks and defenses in machine learning, reviewing more than 200 papers published in the field in the last 15 years. We start by categorizing the current threat models and attacks, and then organize existing defenses accordingly. While we focus mostly on computer-vision applications, we argue that our systematization also encompasses state-of-the-art attacks and defenses for other data modalities. Finally, we discuss existing resources for research in poisoning, and shed light on the current limitations and open research questions in this research field.