arXiv subjects

Stefan Kramer

Publications and source records attributed to Stefan Kramer.

At least 19 recordsLinked to original sources

arXiv2026

Feature-Weighted Maximum Representative Subsampling

In the social sciences, it is often necessary to debias studies and surveys before valid conclusions can be drawn. Debiasing algorithms enable the computational removal of bias using sample weights. However, an issue arises when only a subset of features is highly biased, while the rest is already representative. Algorithms need to strongly alter the sample distribution to manage a few highly biased features, which can in turn introduce bias into already representative variables. To address this issue, we developed a method that uses feature weights to minimize the impact of highly biased features on the computation of sample weights. Our algorithm is based on Maximum Representative Subsampling (MRS), which debiases datasets by aligning a non-representative sample with a representative one through iterative removal of elements to create a representative subsample. The new algorithm, named feature-weighted MRS (FW-MRS), decreases the emphasis on highly biased features, allowing it to retain more instances for downstream tasks. The feature weights are derived from the feature importance of a domain classifier trained to differentiate between the representative and non-representative datasets. We validated FW-MRS using eight tabular datasets, each of which we artificially biased. Biased features can be important for downstream tasks, and focusing less on them could lead to a decline in generalization. For this reason, we assessed the generalization performance of FW-MRS on downstream tasks and found no statistically significant differences. Additionally, FW-MRS was applied to a real-world dataset from the social sciences. The source code is available at https://github.com/kramerlab/FeatureWeightDebiasing.

cs.LG↗

arXiv2025

Prompting Neural-Guided Equation Discovery Based on Residuals

Neural-guided equation discovery systems use a data set as prompt and predict an equation that describes the data set without extensive search. However, if the equation does not meet the user's expectations, there are few options for getting other equation suggestions without intensive work with the system. To fill this gap, we propose Residuals for Equation Discovery (RED), a post-processing method that improves a given equation in a targeted manner, based on its residuals. By parsing the initial equation to a syntax tree, we can use node-based calculation rules to compute the residual for each subequation of the initial equation. It is then possible to use this residual as new target variable in the original data set and generate a new prompt. If, with the new prompt, the equation discovery system suggests a subequation better than the old subequation on a validation set, we replace the latter by the former. RED is usable with any equation discovery system, is fast to calculate, and is easy to extend for new mathematical operations. In experiments on 53 equations from the Feynman benchmark, we show that it not only helps to improve all tested neural-guided systems, but also all tested classical genetic programming systems.

cs.LG↗

arXiv2025

N-Parties Private Structure and Parameter Learning for Sum-Product Networks

A sum-product network (SPN) is a graphical model that allows several types of probabilistic inference to be performed efficiently. In this paper, we propose a privacy-preserving protocol which tackles structure generation and parameter learning of SPNs. Additionally, we provide a protocol for private inference on SPNs, subsequent to training. To preserve the privacy of the participants, we derive our protocol based on secret sharing, which guarantees privacy in the honest-but-curious setting even when at most half of the parties cooperate to disclose the data. The protocol makes use of a forest of randomly generated SPNs, which is trained and weighted privately and can then be used for private inference on data points. Our experiments indicate that preserving the privacy of all participants does not decrease log-likelihood performance on both homogeneously and heterogeneously partitioned data. We furthermore show that our protocol's performance is comparable to current state-of-the-art SPN learners in homogeneously partitioned data settings. In terms of runtime and memory usage, we demonstrate that our implementation scales well when increasing the number of parties, comparing favorably to protocols for neural networks, when they are trained to reproduce the input-output behavior of SPNs.

cs.CR↗

arXiv2025

Lift What You Can: Green Online Learning with Heterogeneous Ensembles

Ensemble methods for stream mining necessitate managing multiple models and updating them as data distributions evolve. Considering the calls for more sustainability, established methods are however not sufficiently considerate of ensemble members' computational expenses and instead overly focus on predictive capabilities. To address these challenges and enable green online learning, we propose heterogeneous online ensembles (HEROS). For every training step, HEROS chooses a subset of models from a pool of models initialized with diverse hyperparameter choices under resource constraints to train. We introduce a Markov decision process to theoretically capture the trade-offs between predictive performance and sustainability constraints. Based on this framework, we present different policies for choosing which models to train on incoming data. Most notably, we propose the novel $\zeta$-policy, which focuses on training near-optimal models at reduced costs. Using a stochastic model, we theoretically prove that our $\zeta$-policy achieves near optimal performance while using fewer resources compared to the best performing policy. In our experiments across 11 benchmark datasets, we find empiric evidence that our $\zeta$-policy is a strong contribution to the state-of-the-art, demonstrating highly accurate performance, in some cases even outperforming competitors, and simultaneously being much more resource-friendly.

cs.LG↗

arXiv2025

Exploring the Design Space of Fair Tree Learning Algorithms

Decision trees have been studied extensively in the context of fairness, aiming to maximize prediction performance while ensuring non-discrimination against different groups. Techniques in this space usually focus on imposing constraints at training time, constraining the search space so that solutions which display unacceptable values of relevant metrics are not considered, discarded, or discouraged. If we assume one target variable y and one sensitive attribute s, the design space of tree learning algorithms can be spanned as follows: (i) One can have one tree T that is built using an objective function that is a function of y, s, and T. For instance, one can build a tree based on the weighted information gain regarding y (maximizing) and s (minimizing). (ii) The second option is to have one tree model T that uses an objective function in y and T and a constraint on s and T. Here, s is no longer part of the objective, but part of a constraint. This can be achieved greedily by aborting a further split as soon as the condition that optimizes the objective in y fails to satisfy the constraint on s. A simple way to explore other splits is to backtrack during tree construction once a fairness constraint is violated. (iii) The third option is to have two trees T_y and T_s, one for y and one for s, such that the tree structure for y and s does not have to be shared. In this way, information regarding y and regarding s can be used independently, without having to constrain the choices in tree construction by the mutual information between the two variables. Quite surprisingly, of the three options, only the first one and the greedy variant of the second have been studied in the literature so far. In this paper, we introduce the above two additional options from that design space and characterize them experimentally on multiple datasets.

cs.LG↗

arXiv2025

Deep Generative Models of Evolution: SNP-level Population Adaptation by Genomic Linkage Incorporation

The investigation of allele frequency trajectories in populations evolving under controlled environmental pressures has become a popular approach to study evolutionary processes on the molecular level. Statistical models based on well-defined evolutionary concepts can be used to validate different hypotheses about empirical observations. Despite their popularity, classic statistical models like the Wright-Fisher model suffer from simplified assumptions such as the independence of selected loci along a chromosome and uncertainty about the parameters. Deep generative neural networks offer a powerful alternative known for the integration of multivariate dependencies and noise reduction. Due to their high data demands and challenging interpretability they have, so far, not been widely considered in the area of population genomics. To address the challenges in the area of Evolve and Resequencing experiments (E&R) based on pooled sequencing (Pool-Seq) data, we introduce a deep generative neural network that aims to model a concept of evolution based on empirical observations over time. The proposed model estimates the distribution of allele frequency trajectories by embedding the observations from single nucleotide polymorphisms (SNPs) with information from neighboring loci. Evaluation on simulated E&R experiments demonstrates the model's ability to capture the distribution of allele frequency trajectories and illustrates the representational power of deep generative models on the example of linkage disequilibrium (LD) estimation. Inspecting the internally learned representations enables estimating pairwise LD, which is typically inaccessible in Pool-Seq data. Our model provides competitive LD estimation in Pool-Seq data high degree of LD when compared to existing methods.

cs.LG↗

arXiv2025

Counterfactual Explanations in Medical Imaging: Exploring SPN-Guided Latent Space Manipulation

Artificial intelligence is increasingly leveraged across various domains to automate decision-making processes that significantly impact human lives. In medical image analysis, deep learning models have demonstrated remarkable performance. However, their inherent complexity makes them black box systems, raising concerns about reliability and interpretability. Counterfactual explanations provide comprehensible insights into decision processes by presenting hypothetical "what-if" scenarios that alter model classifications. By examining input alterations, counterfactual explanations provide patterns that influence the decision-making process. Despite their potential, generating plausible counterfactuals that adhere to similarity constraints providing human-interpretable explanations remains a challenge. In this paper, we investigate this challenge by a model-specific optimization approach. While deep generative models such as variational autoencoders (VAEs) exhibit significant generative power, probabilistic models like sum-product networks (SPNs) efficiently represent complex joint probability distributions. By modeling the likelihood of a semi-supervised VAE's latent space with an SPN, we leverage its dual role as both a latent space descriptor and a classifier for a given discrimination task. This formulation enables the optimization of latent space counterfactuals that are both close to the original data distribution and aligned with the target class distribution. We conduct experimental evaluation on the cheXpert dataset. To evaluate the effectiveness of the integration of SPNs, our SPN-guided latent space manipulation is compared against a neural network baseline. Additionally, the trade-off between latent variable regularization and counterfactual quality is analyzed.

cs.LG↗

arXiv2025

Enhancing Symbolic Machine Learning by Subsymbolic Representations

The goal of neuro-symbolic AI is to integrate symbolic and subsymbolic AI approaches, to overcome the limitations of either. Prominent systems include Logic Tensor Networks (LTN) or DeepProbLog, which offer neural predicates and end-to-end learning. The versatility of systems like LTNs and DeepProbLog, however, makes them less efficient in simpler settings, for instance, for discriminative machine learning, in particular in domains with many constants. Therefore, we follow a different approach: We propose to enhance symbolic machine learning schemes by giving them access to neural embeddings. In the present paper, we show this for TILDE and embeddings of constants used by TILDE in similarity predicates. The approach can be fine-tuned by further refining the embeddings depending on the symbolic theory. In experiments in three real-world domain, we show that this simple, yet effective, approach outperforms all other baseline methods in terms of the F1 score. The approach could be useful beyond this setting: Enhancing symbolic learners in this way could be extended to similarities between instances (effectively working like kernels within a logical language), for analogical reasoning, or for propositionalization.

cs.AI↗

arXiv2025

Autofocus Retrieval: An Effective Pipeline for Multi-Hop Question Answering With Semi-Structured Knowledge

In many real-world settings, machine learning models and interactive systems have access to both structured knowledge, e.g., knowledge graphs or tables, and unstructured content, e.g., natural language documents. Yet, most rely on either. Semi-Structured Knowledge Bases (SKBs) bridge this gap by linking unstructured content to nodes within structured data. In this work, we present Autofocus-Retriever (AF-Retriever), a modular framework for SKB-based, multi-hop question answering. It combines structural and textual retrieval through novel integration steps and optimizations, achieving the best zero- and one-shot results across all three STaRK QA benchmarks, which span diverse domains and evaluation metrics. AF-Retriever's average first-hit rate surpasses the second-best method by 32.1%. Its performance is driven by (1) leveraging exchangeable large language models (LLMs) to extract entity attributes and relational constraints for both parsing and reranking the top-k answers, (2) vector similarity search for ranking both extracted entities and final answers, (3) a novel incremental scope expansion procedure that prepares for the reranking on a configurable amount of suitable candidates that fulfill the given constraints the most, and (4) a hybrid retrieval strategy that reduces error susceptibility. In summary, while constantly adjusting the focus like an optical autofocus, AF-Retriever delivers a configurable amount of answer candidates in four constraint-driven retrieval steps, which are then supplemented and ranked through four additional processing steps. An ablation study and a detailed error analysis, including a comparison of three different LLM reranking strategies, provide component-level insights. The source code is available at https://github.com/kramerlab/AF-Retriever .

cs.IR↗

arXiv2025

Neural-Guided Equation Discovery

Deep learning approaches are becoming increasingly attractive for equation discovery. We show the advantages and disadvantages of using neural-guided equation discovery by giving an overview of recent papers and the results of experiments using our modular equation discovery system MGMT ($\textbf{M}$ulti-Task $\textbf{G}$rammar-Guided $\textbf{M}$onte-Carlo $\textbf{T}$ree Search for Equation Discovery). The system uses neural-guided Monte-Carlo Tree Search (MCTS) and supports both supervised and reinforcement learning, with a search space defined by a context-free grammar. We summarize seven desirable properties of equation discovery systems, emphasizing the importance of embedding tabular data sets for such learning approaches. Using the modular structure of MGMT, we compare seven architectures (among them, RNNs, CNNs, and Transformers) for embedding tabular datasets on the auxiliary task of contrastive learning for tabular data sets on an equation discovery task. For almost all combinations of modules, supervised learning outperforms reinforcement learning. Moreover, our experiments indicate an advantage of using grammar rules as action space instead of tokens. Two adaptations of MCTS -- risk-seeking MCTS and AmEx-MCTS -- can improve equation discovery with that kind of search.

cs.AI↗

arXiv2025

Human Guided Learning of Transparent Regression Models

We present a human-in-the-loop (HIL) approach to permutation regression, the novel task of predicting a continuous value for a given ordering of items. The model is a gradient boosted regression model that incorporates simple human-understandable constraints of the form x < y, i.e. item x has to be before item y, as binary features. The approach, HuGuR (Human Guided Regression), lets a human explore the search space of such transparent regression models. Interacting with HuGuR, users can add, remove, and refine order constraints interactively, while the coefficients are calculated on the fly. We evaluate HuGuR in a user study and compare the performance of user-built models with multiple baselines on 9 data sets. The results show that the user-built models outperform the compared methods on small data sets and in general perform on par with the other methods, while being in principle understandable for humans. On larger datasets from the same domain, machine-induced models begin to outperform the user-built models. Further work will study the trust users have in models when constructed by themselves and how the scheme can be transferred to other pattern domains, such as strings, sequences, trees, or graphs.

cs.LG↗

arXiv2025

Integrating Inverse and Forward Modeling for Sparse Temporal Data from Sensor Networks

We present CavePerception, a framework for the analysis of sparse data from sensor networks that incorporates elements of inverse modeling and forward modeling. By integrating machine learning with physical modeling in a hypotheses space, we aim to improve the interpretability of sparse, noisy, and potentially incomplete sensor data. The framework assumes data from a two-dimensional sensor network laid out in a graph structure that detects certain objects, with certain motion patterns. Examples of such sensors are magnetometers. Given knowledge about the objects and the way they act on the sensors, one can develop a data generator that produces data from simulated motions of the objects across the sensor field. The framework uses the simulated data to infer object behaviors across the sensor network. The approach is experimentally tested on real-world data, where magnetometers are used on an airport to detect and identify aircraft motions. Experiments demonstrate the value of integrating inverse and forward modeling, enabling intelligent systems to better understand and predict complex, sensor-driven events.

cs.LG↗

arXiv2024

Soft Hoeffding Tree: A Transparent and Differentiable Model on Data Streams

We propose soft Hoeffding trees (SoHoT) as a new differentiable and transparent model for possibly infinite and changing data streams. Stream mining algorithms such as Hoeffding trees grow based on the incoming data stream, but they currently lack the adaptability of end-to-end deep learning systems. End-to-end learning can be desirable if a feature representation is learned by a neural network and used in a tree, or if the outputs of trees are further processed in a deep learning model or workflow. Different from Hoeffding trees, soft trees can be integrated into such systems due to their differentiability, but are neither transparent nor explainable. Our novel model combines the extensibility and transparency of Hoeffding trees with the differentiability of soft trees. We introduce a new gating function to regulate the balance between univariate and multivariate splits in the tree. Experiments are performed on 20 data streams, comparing SoHoT to standard Hoeffding trees, Hoeffding trees with limited complexity, and soft trees applying a sparse activation function for sample routing. The results show that soft Hoeffding trees outperform Hoeffding trees in estimating class probabilities and, at the same time, maintain transparency compared to soft trees, with relatively small losses in terms of AUROC and cross-entropy. We also demonstrate how to trade off transparency against performance using a hyperparameter, obtaining univariate splits at one end of the spectrum and multivariate splits at the other.

cs.LG↗

arXiv2024

Harnessing the Power of Semi-Structured Knowledge and LLMs with Triplet-Based Prefiltering for Question Answering

Large Language Models (LLMs) frequently lack domain-specific knowledge and even fine-tuned models tend to hallucinate. Hence, more reliable models that can include external knowledge are needed. We present a pipeline, 4StepFocus, and specifically a preprocessing step, that can substantially improve the answers of LLMs. This is achieved by providing guided access to external knowledge making use of the model's ability to capture relational context and conduct rudimentary reasoning by themselves. The method narrows down potentially correct answers by triplets-based searches in a semi-structured knowledge base in a direct, traceable fashion, before switching to latent representations for ranking those candidates based on unstructured data. This distinguishes it from related methods that are purely based on latent representations. 4StepFocus consists of the steps: 1) Triplet generation for extraction of relational data by an LLM, 2) substitution of variables in those triplets to narrow down answer candidates employing a knowledge graph, 3) sorting remaining candidates with a vector similarity search involving associated non-structured data, 4) reranking the best candidates by the LLM with background data provided. Experiments on a medical, a product recommendation, and an academic paper search test set demonstrate that this approach is indeed a powerful augmentation. It not only adds relevant traceable background information from information retrieval, but also improves performance considerably in comparison to state-of-the-art methods. This paper presents a novel, largely unexplored direction and therefore provides a wide range of future work opportunities. Used source code is available at https://github.com/kramerlab/4StepFocus.

cs.CL↗

arXiv2024

10 Years of Fair Representations: Challenges and Opportunities

Fair Representation Learning (FRL) is a broad set of techniques, mostly based on neural networks, that seeks to learn new representations of data in which sensitive or undesired information has been removed. Methodologically, FRL was pioneered by Richard Zemel et al. about ten years ago. The basic concepts, objectives and evaluation strategies for FRL methodologies remain unchanged to this day. In this paper, we look back at the first ten years of FRL by i) revisiting its theoretical standing in light of recent work in deep learning theory that shows the hardness of removing information in neural network representations and ii) presenting the results of a massive experimentation (225.000 model fits and 110.000 AutoML fits) we conducted with the objective of improving on the common evaluation scenario for FRL. More specifically, we use automated machine learning (AutoML) to adversarially "mine" sensitive information from supposedly fair representations. Our theoretical and experimental analysis suggests that deterministic, unquantized FRL methodologies have serious issues in removing sensitive information, which is especially troubling as they might seem "fair" at first glance.

cs.LG↗

arXiv2024

Amplifying Exploration in Monte-Carlo Tree Search by Focusing on the Unknown

Monte-Carlo tree search (MCTS) is an effective anytime algorithm with a vast amount of applications. It strategically allocates computational resources to focus on promising segments of the search tree, making it a very attractive search algorithm in large search spaces. However, it often expends its limited resources on reevaluating previously explored regions when they remain the most promising path. Our proposed methodology, denoted as AmEx-MCTS, solves this problem by introducing a novel MCTS formulation. Central to AmEx-MCTS is the decoupling of value updates, visit count updates, and the selected path during the tree search, thereby enabling the exclusion of already explored subtrees or leaves. This segregation preserves the utility of visit counts for both exploration-exploitation balancing and quality metrics within MCTS. The resultant augmentation facilitates in a considerably broader search using identical computational resources, preserving the essential characteristics of MCTS. The expanded coverage not only yields more precise estimations but also proves instrumental in larger and more complex problems. Our empirical evaluation demonstrates the superior performance of AmEx-MCTS, surpassing classical MCTS and related approaches by a substantial margin.

cs.AI↗

arXiv2023

Peer Learning: Learning Complex Policies in Groups from Scratch via Action Recommendations

Peer learning is a novel high-level reinforcement learning framework for agents learning in groups. While standard reinforcement learning trains an individual agent in trial-and-error fashion, all on its own, peer learning addresses a related setting in which a group of agents, i.e., peers, learns to master a task simultaneously together from scratch. Peers are allowed to communicate only about their own states and actions recommended by others: "What would you do in my situation?". Our motivation is to study the learning behavior of these agents. We formalize the teacher selection process in the action advice setting as a multi-armed bandit problem and therefore highlight the need for exploration. Eventually, we analyze the learning behavior of the peers and observe their ability to rank the agents' performance within the study group and understand which agents give reliable advice. Further, we compare peer learning with single agent learning and a state-of-the-art action advice baseline. We show that peer learning is able to outperform single-agent learning and the baseline in several challenging discrete and continuous OpenAI Gym domains. Doing so, we also show that within such a framework complex policies from action recommendations beyond discrete action spaces can evolve.

cs.LG↗

arXiv2023

Automated Scientific Discovery: From Equation Discovery to Autonomous Discovery Systems

The paper surveys automated scientific discovery, from equation discovery and symbolic regression to autonomous discovery systems and agents. It discusses the individual approaches from a "big picture" perspective and in context, but also discusses open issues and recent topics like the various roles of deep neural networks in this area, aiding in the discovery of human-interpretable knowledge. Further, we will present closed-loop scientific discovery systems, starting with the pioneering work on the Adam system up to current efforts in fields from material science to astronomy. Finally, we will elaborate on autonomy from a machine learning perspective, but also in analogy to the autonomy levels in autonomous driving. The maximal level, level five, is defined to require no human intervention at all in the production of scientific knowledge. Achieving this is one step towards solving the Nobel Turing Grand Challenge to develop AI Scientists: AI systems capable of making Nobel-quality scientific discoveries highly autonomously at a level comparable, and possibly superior, to the best human scientists by 2050.

cs.AI↗