arXiv subjects

Katharina Eggensperger

Publications and source records attributed to Katharina Eggensperger.

At least 19 recordsLinked to original sources

arXiv2026

LoopICL: Looping a single transformer block to solve tabular tasks

Tabular foundation models using in-context learning have recently surpassed gradient-boosted trees on predictive tabular tasks. However, recent mechanistic insights suggest that parameters in these models are largely redundant. We introduce LoopICL, a looped transformer whose core design decouples parameter count from computational depth. LoopICL consists of a single block, processing data through two coupled streams: a cell stream capturing per-cell feature representations and a row stream capturing in-context example representations, jointly refined through within-column and cross-column attention. During pre-training, we vary loop counts, allowing the block to be unrolled for a varying number of iterations at test-time and use a learned exit-gate to automatically exit. In its standard setting, LoopICL performs competitively with TabICLv2 on TabArena and TALENT at the same computational cost (FLOPs), while using nearly 90% fewer parameters. Furthermore, its recurrent design enables users to also trade off inference cost and performance, providing a resource-aware TFM.

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arXiv2026

TACTICL: Task-Aware Compression of Tabular ICL Models

The strong performance of foundation models for tabular tasks comes at substantial inference costs. Distilling models into task-specific architectures reduces model size and computational demands but also sacrifices in-context adaptability. Here we introduce TACTICL, an automated task-aware compression framework for tabular in-context learning models that jointly prunes transformer layers and replaces them with lightweight adapters trained on downstream tasks, thus blending in-context with in-weight learning. We study TACTICL on 47 benchmark datasets and show that we can substitute up to 85% of layers without substantial performance drop on a given downstream task. We further show that TACTICL maintains robustness to data shifts, leaving its in-context ability intact. Overall, TACTICL provides a robust framework for exploiting the depth-wise redundancy of tabular foundation models by combining task-specific adaptation and structured compression. We provide the code at: https://github.com/Hebog/tfm_compression

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arXiv2026

Is One Layer Enough? Understanding Inference Dynamics in Tabular Foundation Models

Transformer-based tabular foundation models (TFMs) dominate small to medium tabular predictive benchmark tasks, yet their inference mechanisms remain largely unexplored. We present the first large-scale mechanistic study of layerwise dynamics in 6 state-of-the-art tabular in-context learning models. We explore how predictions emerge across depth, identify distinct stages of inference and reveal latent-space dynamics that differ from those of language models. Our findings indicate substantial depthwise redundancy across multiple models, suggesting iterative refinement with overlapping computations during inference stages. Guided by these insights, we design a proof-of-concept, looped single-layer model that uses only 20% of the original model's parameters while achieving comparable performance. The code is available at https://github.com/amirbalef/is_one_layer_enough.

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arXiv2026

In-Context Decision Making for Optimizing Complex AutoML Pipelines

Combined Algorithm Selection and Hyperparameter Optimization (CASH) has been fundamental to traditional AutoML systems. However, with the advancements of pre-trained models, modern ML workflows go beyond hyperparameter optimization and often require fine-tuning, ensembling, and other adaptation techniques. While the core challenge of identifying the best-performing model for a downstream task remains, the increasing heterogeneity of ML pipelines demands novel AutoML approaches. This work extends the CASH framework to select and adapt modern ML pipelines. We propose PS-PFN to efficiently explore and exploit adapting ML pipelines by extending Posterior Sampling (PS) to the max k-armed bandit problem setup. PS-PFN leverages prior-data fitted networks (PFNs) to efficiently estimate the posterior distribution of the maximal value via in-context learning. We show how to extend this method to consider varying costs of pulling arms and to use different PFNs to model reward distributions individually per arm. Experimental results on one novel and two existing standard benchmark tasks demonstrate the superior performance of PS-PFN compared to other bandit and AutoML strategies. We make our code and data available at https://github.com/amirbalef/CASHPlus.

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arXiv2026

TabPFN-Wide: Continued Pre-Training for Extreme Feature Counts

Revealing novel insights from the relationship between molecular measurements and pathology remains a very impactful application of machine learning in biomedicine. Data in this domain typically contain only a few observations but thousands of potentially noisy features, posing challenges for conventional tabular machine learning approaches. While prior-data fitted networks emerge as foundation models for predictive tabular data tasks, they are currently not suited to handle large feature counts (>500). Although feature reduction enables their application, it hinders feature importance analysis. We propose a strategy that extends existing models through continued pre-training on synthetic data sampled from a customized prior. The resulting model, TabPFN-Wide, matches or exceeds its base model's performance, while exhibiting improved robustness to noise. It seamlessly scales beyond 30,000 categorical and continuous features, regardless of noise levels, while maintaining inherent interpretability, which is critical for biomedical applications. Our results demonstrate that prior-informed adaptation is suitable to enhance the capability of foundation models for high-dimensional data. On real-world omics datasets, we show that many of the most relevant features identified by the model overlap with previous biological findings, while others propose potential starting points for future studies.

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arXiv2025

Best Practices For Empirical Meta-Algorithmic Research: Guidelines from the COSEAL Research Network

Empirical research on meta-algorithmics, such as algorithm selection, configuration, and scheduling, often relies on extensive and thus computationally expensive experiments. With the large degree of freedom we have over our experimental setup and design comes a plethora of possible error sources that threaten the scalability and validity of our scientific insights. Best practices for meta-algorithmic research exist, but they are scattered between different publications and fields, and continue to evolve separately from each other. In this report, we collect good practices for empirical meta-algorithmic research across the subfields of the COSEAL community, encompassing the entire experimental cycle: from formulating research questions and selecting an experimental design, to executing experiments, and ultimately, analyzing and presenting results impartially. It establishes the current state-of-the-art practices within meta-algorithmic research and serves as a guideline to both new researchers and practitioners in meta-algorithmic fields.

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arXiv2025

Put CASH on Bandits: A Max K-Armed Problem for Automated Machine Learning

The Combined Algorithm Selection and Hyperparameter optimization (CASH) is a challenging resource allocation problem in the field of AutoML. We propose MaxUCB, a max k-armed bandit method to trade off exploring different model classes and conducting hyperparameter optimization. MaxUCB is specifically designed for the light-tailed and bounded reward distributions arising in this setting and, thus, provides an efficient alternative compared to classic max k-armed bandit methods assuming heavy-tailed reward distributions. We theoretically and empirically evaluate our method on four standard AutoML benchmarks, demonstrating superior performance over prior approaches. We make our code and data available at https://github.com/amirbalef/CASH_with_Bandits

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arXiv2025

Towards Understanding Layer Contributions in Tabular In-Context Learning Models

Despite the architectural similarities between tabular in-context learning (ICL) models and large language models (LLMs), little is known about how individual layers contribute to tabular prediction. In this paper, we investigate how the latent spaces evolve across layers in tabular ICL models, identify potential redundant layers, and compare these dynamics with those observed in LLMs. We analyze TabPFN and TabICL through the "layers as painters" perspective, finding that only subsets of layers share a common representational language, suggesting structural redundancy and offering opportunities for model compression and improved interpretability.

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arXiv2025

carps: A Framework for Comparing N Hyperparameter Optimizers on M Benchmarks

Hyperparameter Optimization (HPO) is crucial to develop well-performing machine learning models. In order to ease prototyping and benchmarking of HPO methods, we propose carps, a benchmark framework for Comprehensive Automated Research Performance Studies allowing to evaluate N optimizers on M benchmark tasks. In this first release of carps, we focus on the four most important types of HPO task types: blackbox, multi-fidelity, multi-objective and multi-fidelity-multi-objective. With 3 336 tasks from 5 community benchmark collections and 28 variants of 9 optimizer families, we offer the biggest go-to library to date to evaluate and compare HPO methods. The carps framework relies on a purpose-built, lightweight interface, gluing together optimizers and benchmark tasks. It also features an analysis pipeline, facilitating the evaluation of optimizers on benchmarks. However, navigating a huge number of tasks while developing and comparing methods can be computationally infeasible. To address this, we obtain a subset of representative tasks by minimizing the star discrepancy of the subset, in the space spanned by the full set. As a result, we propose an initial subset of 10 to 30 diverse tasks for each task type, and include functionality to re-compute subsets as more benchmarks become available, enabling efficient evaluations. We also establish a first set of baseline results on these tasks as a measure for future comparisons. With carps (https://www.github.com/automl/CARP-S), we make an important step in the standardization of HPO evaluation.

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arXiv2024

Position: Why We Must Rethink Empirical Research in Machine Learning

We warn against a common but incomplete understanding of empirical research in machine learning that leads to non-replicable results, makes findings unreliable, and threatens to undermine progress in the field. To overcome this alarming situation, we call for more awareness of the plurality of ways of gaining knowledge experimentally but also of some epistemic limitations. In particular, we argue most current empirical machine learning research is fashioned as confirmatory research while it should rather be considered exploratory.

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arXiv2024

Can Fairness be Automated? Guidelines and Opportunities for Fairness-aware AutoML

The field of automated machine learning (AutoML) introduces techniques that automate parts of the development of machine learning (ML) systems, accelerating the process and reducing barriers for novices. However, decisions derived from ML models can reproduce, amplify, or even introduce unfairness in our societies, causing harm to (groups of) individuals. In response, researchers have started to propose AutoML systems that jointly optimize fairness and predictive performance to mitigate fairness-related harm. However, fairness is a complex and inherently interdisciplinary subject, and solely posing it as an optimization problem can have adverse side effects. With this work, we aim to raise awareness among developers of AutoML systems about such limitations of fairness-aware AutoML, while also calling attention to the potential of AutoML as a tool for fairness research. We present a comprehensive overview of different ways in which fairness-related harm can arise and the ensuing implications for the design of fairness-aware AutoML. We conclude that while fairness cannot be automated, fairness-aware AutoML can play an important role in the toolbox of ML practitioners. We highlight several open technical challenges for future work in this direction. Additionally, we advocate for the creation of more user-centered assistive systems designed to tackle challenges encountered in fairness work

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arXiv2023

TabPFN: A Transformer That Solves Small Tabular Classification Problems in a Second

We present TabPFN, a trained Transformer that can do supervised classification for small tabular datasets in less than a second, needs no hyperparameter tuning and is competitive with state-of-the-art classification methods. TabPFN performs in-context learning (ICL), it learns to make predictions using sequences of labeled examples (x, f(x)) given in the input, without requiring further parameter updates. TabPFN is fully entailed in the weights of our network, which accepts training and test samples as a set-valued input and yields predictions for the entire test set in a single forward pass. TabPFN is a Prior-Data Fitted Network (PFN) and is trained offline once, to approximate Bayesian inference on synthetic datasets drawn from our prior. This prior incorporates ideas from causal reasoning: It entails a large space of structural causal models with a preference for simple structures. On the 18 datasets in the OpenML-CC18 suite that contain up to 1 000 training data points, up to 100 purely numerical features without missing values, and up to 10 classes, we show that our method clearly outperforms boosted trees and performs on par with complex state-of-the-art AutoML systems with up to 230$\times$ speedup. This increases to a 5 700$\times$ speedup when using a GPU. We also validate these results on an additional 67 small numerical datasets from OpenML. We provide all our code, the trained TabPFN, an interactive browser demo and a Colab notebook at https://github.com/automl/TabPFN.

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arXiv2023

Mind the Gap: Measuring Generalization Performance Across Multiple Objectives

Modern machine learning models are often constructed taking into account multiple objectives, e.g., minimizing inference time while also maximizing accuracy. Multi-objective hyperparameter optimization (MHPO) algorithms return such candidate models, and the approximation of the Pareto front is used to assess their performance. In practice, we also want to measure generalization when moving from the validation to the test set. However, some of the models might no longer be Pareto-optimal which makes it unclear how to quantify the performance of the MHPO method when evaluated on the test set. To resolve this, we provide a novel evaluation protocol that allows measuring the generalization performance of MHPO methods and studying its capabilities for comparing two optimization experiments.

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arXiv2022

HPOBench: A Collection of Reproducible Multi-Fidelity Benchmark Problems for HPO

To achieve peak predictive performance, hyperparameter optimization (HPO) is a crucial component of machine learning and its applications. Over the last years, the number of efficient algorithms and tools for HPO grew substantially. At the same time, the community is still lacking realistic, diverse, computationally cheap, and standardized benchmarks. This is especially the case for multi-fidelity HPO methods. To close this gap, we propose HPOBench, which includes 7 existing and 5 new benchmark families, with a total of more than 100 multi-fidelity benchmark problems. HPOBench allows to run this extendable set of multi-fidelity HPO benchmarks in a reproducible way by isolating and packaging the individual benchmarks in containers. It also provides surrogate and tabular benchmarks for computationally affordable yet statistically sound evaluations. To demonstrate HPOBench's broad compatibility with various optimization tools, as well as its usefulness, we conduct an exemplary large-scale study evaluating 13 optimizers from 6 optimization tools. We provide HPOBench here: https://github.com/automl/HPOBench.

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arXiv2022

Auto-Sklearn 2.0: Hands-free AutoML via Meta-Learning

Automated Machine Learning (AutoML) supports practitioners and researchers with the tedious task of designing machine learning pipelines and has recently achieved substantial success. In this paper, we introduce new AutoML approaches motivated by our winning submission to the second ChaLearn AutoML challenge. We develop PoSH Auto-sklearn, which enables AutoML systems to work well on large datasets under rigid time limits by using a new, simple and meta-feature-free meta-learning technique and by employing a successful bandit strategy for budget allocation. However, PoSH Auto-sklearn introduces even more ways of running AutoML and might make it harder for users to set it up correctly. Therefore, we also go one step further and study the design space of AutoML itself, proposing a solution towards truly hands-free AutoML. Together, these changes give rise to the next generation of our AutoML system, Auto-sklearn 2.0. We verify the improvements by these additions in an extensive experimental study on 39 AutoML benchmark datasets. We conclude the paper by comparing to other popular AutoML frameworks and Auto-sklearn 1.0, reducing the relative error by up to a factor of 4.5, and yielding a performance in 10 minutes that is substantially better than what Auto-sklearn 1.0 achieves within an hour.

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arXiv2022

SMAC3: A Versatile Bayesian Optimization Package for Hyperparameter Optimization

Algorithm parameters, in particular hyperparameters of machine learning algorithms, can substantially impact their performance. To support users in determining well-performing hyperparameter configurations for their algorithms, datasets and applications at hand, SMAC3 offers a robust and flexible framework for Bayesian Optimization, which can improve performance within a few evaluations. It offers several facades and pre-sets for typical use cases, such as optimizing hyperparameters, solving low dimensional continuous (artificial) global optimization problems and configuring algorithms to perform well across multiple problem instances. The SMAC3 package is available under a permissive BSD-license at https://github.com/automl/SMAC3.

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arXiv2020

Squirrel: A Switching Hyperparameter Optimizer

In this short note, we describe our submission to the NeurIPS 2020 BBO challenge. Motivated by the fact that different optimizers work well on different problems, our approach switches between different optimizers. Since the team names on the competition's leaderboard were randomly generated "alliteration nicknames", consisting of an adjective and an animal with the same initial letter, we called our approach the Switching Squirrel, or here, short, Squirrel.

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arXiv2020

Neural Model-based Optimization with Right-Censored Observations

In many fields of study, we only observe lower bounds on the true response value of some experiments. When fitting a regression model to predict the distribution of the outcomes, we cannot simply drop these right-censored observations, but need to properly model them. In this work, we focus on the concept of censored data in the light of model-based optimization where prematurely terminating evaluations (and thus generating right-censored data) is a key factor for efficiency, e.g., when searching for an algorithm configuration that minimizes runtime of the algorithm at hand. Neural networks (NNs) have been demonstrated to work well at the core of model-based optimization procedures and here we extend them to handle these censored observations. We propose (i)~a loss function based on the Tobit model to incorporate censored samples into training and (ii) use an ensemble of networks to model the posterior distribution. To nevertheless be efficient in terms of optimization-overhead, we propose to use Thompson sampling s.t. we only need to train a single NN in each iteration. Our experiments show that our trained regression models achieve a better predictive quality than several baselines and that our approach achieves new state-of-the-art performance for model-based optimization on two optimization problems: minimizing the solution time of a SAT solver and the time-to-accuracy of neural networks.

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