Searcharxiv⌕ Search

arXiv subjects

Klemens Flöge

Publications and source records attributed to Klemens Flöge.

8 recordsLinked to original sources

TabPFN-3.5: Technical Report

We introduce TabPFN-3.5, our new flagship Tabular Foundation Model. It significantly outperforms its predecessor, TabPFN-3, and all existing baselines across a broad range of tabular problems. TabPFN-3.5 sets a new state of the art on standard tabular prediction in TabArena, and extends it to the data practitioners encounter in practice: non-i.i.d. data with temporal or grouped splits, tables with strings, text and images, high-cardinality categorical features, and wide tables with many features. These gains carry over to our task-specific harnesses: state of the art on relational data and stronger time-series forecasting. For faster inference, our variant TabPFN-3.5-Fast runs up to 3x faster than TabPFN-3 while keeping most of the accuracy gains. In addition, we upgrade TabPFN-3.5-Plus, expanding our multimodal capabilities with advanced text and date handling alongside proprietary inference optimizations. Finally, we release a new version of our Thinking mode, TabPFN-3.5-Thinking, which scales inference-time computation to push the state of the art further. It benefits from our stronger base model and from inference-time improvements that make it up to 12x faster than TabPFN-3-Thinking.

cs.LG↗

Attention Quantization for Tabular Foundation Models

With the recent rise and adoption of tabular foundation models, optimizing their inference performance becomes an emerging field for efficiency research. While the models are architecturally similar to transformer-based large language models (LLMs), the size and serving patterns differ significantly. We show that the focus should be on the attention calculation and less on weight or KV cache quantization, which are more popular in LLMs. We develop a quantization strategy for queries, keys, and values to FP8 and use explicit FP8 matrix multiplication instructions to speed up the attention calculation. We find that it is crucial to align the quantization error in the test rows with the quantization error in the training rows, as otherwise the accuracy drops drastically. Our Triton kernel achieves a speedup up to 1.7x over regular 16-bit kernels, and we show that on TabPFN-v3 and TabICLv2 there is no relevant accuracy loss across TabArena and BeyondArena.

cs.LG↗

Advancing Open and Reproducible Relational Learning: RelArena-$α$, TabPFN-Rel and RPI

This first release of Prior Labs in relational learning shows our continued commitment to open science. We open-source three pieces of software that we expect to accelerate research in the field towards meaningful real-world impact. We aim to steer further development based on feedback from, and in collaboration with, the community. Given the early stage of development, our $α$-release targets researchers and early-adopting practitioners. Over the past years, a variety of datasets and tasks for relational learning have emerged, but the community has not converged on a reliable, reproducible way to compare different methods on these tasks. Our $α$-release, RelArena-$α$, provides a unified framework for running and comparing baselines on RelBench v1 by standardizing data loading, evaluation protocols, tuning regimes, and support for systems with custom tuning, inspired by established tabular benchmarks such as TabArena. We plan to work with the research community to further develop RelArena-$α$ into a catalyst for progress in the relational learning community. We release the initial version of TabPFN-Rel, a purpose-built relational harness for TabPFN-3. Currently ranked first among models on RelArena-$α$, TabPFN-Rel makes key improvements upon RDBLearn. Beyond its ranking, TabPFN-Rel serves as a strong baseline, adding to the growing evidence that flattening a relational database into a single table remains competitive with specialized relational architectures on real-world tasks. To facilitate adoption of relational learning methods in research and industry, we release an initial $α$-version of our Relational Predictive Interface, RPI, an open-source, model-agnostic interface that enables early adopters to easily define problems on new databases and apply any model implemented in RelArena-$α$, including TabPFN-Rel, to these problems.

cs.LG↗

TabPFN-3: Technical Report

Tabular data underpins most high-value prediction problems in science and industry, and TabPFN has driven the foundation model revolution for this modality. Designed with feedback from our users, TabPFN-3 builds on this foundation to scale state-of-the-art performance to datasets with 1M training rows and substantially reduce training and inference time. Pretrained exclusively on synthetic data from our prior, TabPFN-3 dramatically pushes the frontier of tabular prediction and brings substantial gains on time series, relational, and tabular-text data. On the standard tabular benchmark TabArena, a forward pass of TabPFN-3 outperforms all other models, including tuned and ensembled baselines, by a significant margin, and pareto-dominates the speed/performance frontier. On more diverse datasets, TabPFN-3 ranks first on datasets with many classes, and beats 8-hour-tuned gradient-boosted-tree baselines on datasets up to 1M training rows and 200 features. TabPFN-3 introduces test-time compute scaling to tabular foundation models. Our API offering TabPFN-3-Plus (Thinking) exploits this to beat all non-TabPFN models by over 200 Elo on TabArena, rising to 420 Elo on the largest data subset, and outperforms AutoGluon 1.5 extreme while being 10x faster, without using LLMs, real data, internet search or any other model besides TabPFN. TabPFN-3 extends the capabilities of our models, enabling SOTA prediction on relational data (new SOTA foundation model on RelBenchV1) and tabular-text data (SOTA on TabSTAR via TabPFN-3-Plus); and improves existing integrations: a specialized checkpoint, TabPFN-TS-3, ranks 2nd on the time-series benchmark fev-bench, and SHAP-value computation is up to 120x faster. TabPFN-3 achieves this performance while being up to 20x faster than TabPFN-2.5. In addition, a reduced KV cache and row-chunking scale to 1M rows on one H100 with fast inference speed.

cs.LG↗

TabPFN-2.5: Advancing the State of the Art in Tabular Foundation Models

The first tabular foundation model, TabPFN, and its successor TabPFNv2 have impacted tabular AI substantially, with dozens of methods building on it and hundreds of applications across different use cases. This report introduces TabPFN-2.5, the next generation of our tabular foundation model, built for datasets with up to 50,000 data points and 2,000 features, a 20x increase in data cells compared to TabPFNv2. TabPFN-2.5 is now the leading method for the industry standard benchmark TabArena (which contains datasets with up to 100,000 training data points), substantially outperforming tuned tree-based models and matching the accuracy of AutoGluon 1.4, a complex four-hour tuned ensemble that even includes the previous TabPFNv2. Remarkably, default TabPFN-2.5 has a 100% win rate against default XGBoost on small to medium-sized classification datasets (<=10,000 data points, 500 features) and a 87% win rate on larger datasets up to 100K samples and 2K features (85% for regression). For production use cases, we introduce a new distillation engine that converts TabPFN-2.5 into a compact MLP or tree ensemble, preserving most of its accuracy while delivering orders-of-magnitude lower latency and plug-and-play deployment. This new release will immediately strengthen the performance of the many applications and methods already built on the TabPFN ecosystem.

cs.LG↗

OneProt: Towards Multi-Modal Protein Foundation Models

Recent advances in Artificial Intelligence have enabled multi-modal systems to model and translate diverse information spaces. Extending beyond text and vision, we introduce OneProt, a multi-modal AI for proteins that integrates structural, sequence, text, and binding site data. Using the ImageBind framework, OneProt aligns the latent spaces of protein modality encoders in a lightweight fine-tuning scheme that focuses on pairwise alignment with sequence data rather than requiring full matches. This novel approach comprises a mix of Graph Neural Networks and transformer architectures. It demonstrates strong performance in retrieval tasks and showcases the efficacy of multi-modal systems in Protein Machine Learning through a broad spectrum of downstream baselines, including enzyme function prediction and binding site analysis. Furthermore, OneProt enables the transfer of representational information from specialized encoders to the sequence encoder, enhancing capabilities for distinguishing evolutionarily related and unrelated sequences and exhibiting representational properties where evolutionarily related proteins align in similar directions within the latent space. In addition, we extensively investigate modality ablations to identify the encoders that contribute most to predictive performance, highlighting the significance of the binding site encoder, which has not been used in similar models previously. This work expands the horizons of multi-modal protein models, paving the way for transformative applications in drug discovery, biocatalytic reaction planning, and protein engineering.

cs.LG↗

Stein Variational Newton Neural Network Ensembles

Deep neural network ensembles are powerful tools for uncertainty quantification, which have recently been re-interpreted from a Bayesian perspective. However, current methods inadequately leverage second-order information of the loss landscape, despite the recent availability of efficient Hessian approximations. We propose a novel approximate Bayesian inference method that modifies deep ensembles to incorporate Stein Variational Newton updates. Our approach uniquely integrates scalable modern Hessian approximations, achieving faster convergence and more accurate posterior distribution approximations. We validate the effectiveness of our method on diverse regression and classification tasks, demonstrating superior performance with a significantly reduced number of training epochs compared to existing ensemble-based methods, while enhancing uncertainty quantification and robustness against overfitting.

stat.ML↗

Gaussian Stochastic Weight Averaging for Bayesian Low-Rank Adaptation of Large Language Models

Fine-tuned Large Language Models (LLMs) often suffer from overconfidence and poor calibration, particularly when fine-tuned on small datasets. To address these challenges, we propose a simple combination of Low-Rank Adaptation (LoRA) with Gaussian Stochastic Weight Averaging (SWAG), facilitating approximate Bayesian inference in LLMs. Through extensive testing across several Natural Language Processing (NLP) benchmarks, we demonstrate that our straightforward and computationally efficient approach improves model generalization and calibration competitively with comparable, more sophisticated methods for Bayesian inference in LLMs. We further show that our method exhibits greater robustness against distribution shift, as reflected in its improved performance on out-of-distribution tasks.

cs.CL↗