Tabular prediction has traditionally relied on gradient-boosted decision trees and specialized deep learning models, which excel within tasks but provide limited interpretability and weak transfer across tables. Reasoning large language models (LLMs) promise cross-task adaptability with trans- parent reasoning traces, yet their potential has not been fully realized for tabular data. This paper presents TabR1, the first reasoning LLM for tabular prediction with multi-step reasoning. At its core is Permutation Relative Policy Optimization (PRPO), a simple yet efficient reinforcement learning method that encodes column-permutation invariance as a structural prior. By construct- ing multiple label-preserving permutations per sample and estimating advantages both within and across permutations, PRPO transforms sparse rewards into dense learning signals and improves generalization. With limited supervision, PRPO activates the reasoning ability of LLMs for tabular prediction, enhancing few-shot and zero-shot performance as well as interpretability. Comprehensive experiments demonstrate that TabR1 achieves performance comparable to strong baselines under full-supervision fine-tuning. In the zero-shot setting, TabR1 approaches the performance of strong baselines under the 32-shot setting. Moreover, TabR1 (8B) substantially outperforms much larger LLMs across various tasks, achieving up to 53.17% improvement over DeepSeek-R1 (685B).

Solutions to the Algorithm Selection Problem (ASP) in machine learning face the challenge of high computational costs associated with evaluating various algorithms' performances on a given dataset. To mitigate this cost, the meta-learning field can leverage previously executed experiments shared in online repositories such as OpenML. OpenML provides an extensive collection of machine learning experiments. However, an analysis of OpenML's records reveals limitations. It lacks diversity in pipelines, specifically when exploring data preprocessing steps/blocks, such as scaling or imputation, resulting in limited representation. Its experiments are often focused on a few popular techniques within each pipeline block, leading to an imbalanced sample. To overcome the observed limitations of OpenML, we propose PIPES, a collection of experiments involving multiple pipelines designed to represent all combinations of the selected sets of techniques, aiming at diversity and completeness. PIPES stores the results of experiments performed applying 9,408 pipelines to 300 datasets. It includes detailed information on the pipeline blocks, training and testing times, predictions, performances, and the eventual error messages. This comprehensive collection of results allows researchers to perform analyses across diverse and representative pipelines and datasets. PIPES also offers potential for expansion, as additional data and experiments can be incorporated to support the meta-learning community further. The data, code, supplementary material, and all experiments can be found at https://github.com/cynthiamaia/PIPES.git.

Transfer learning for probabilistic regression remains underexplored. This work closes this gap by introducing NIAQUE, Neural Interpretable Any-Quantile Estimation, a new model designed for transfer learning in probabilistic regression through permutation invariance. We demonstrate that pre-training NIAQUE directly on diverse downstream regression datasets and fine-tuning it on a specific target dataset enhances performance on individual regression tasks, showcasing the positive impact of probabilistic transfer learning. Furthermore, we highlight the effectiveness of NIAQUE in Kaggle competitions against strong baselines involving tree-based models and recent neural foundation models TabPFN and TabDPT. The findings highlight NIAQUE's efficacy as a robust and scalable framework for probabilistic regression, leveraging transfer learning to enhance predictive performance.

Ensemble learning remains a cornerstone of machine learning, with stacking used to integrate predictions from multiple base learners through a meta-model. However, deep stacking remains rare, as most designs prioritize horizontal diversity over recursive depth due to model complexity, feature redundancy, and computational burden. To address these challenges, RocketStack, a level-aware recursive ensemble framework, is introduced and explored up to ten stacking levels, extending beyond prior architectures. The framework incrementally prunes weaker learners at each level, enabling deeper stacking without excessive complexity. To mitigate early performance saturation, mild Gaussian noise is added to out-of-fold (OOF) scores before pruning, and compared against strict OOF pruning. Further both per-level and periodic feature compressions are explored using attention-based selection, Simple, Fast, Efficient (SFE) filter, and autoencoders. Across 33 datasets (23 binary, 10 multi-class), linear-trend tests confirmed rising accuracy with depth in most variants, and the top performing meta-model at each level increasingly outperformed the strongest standalone ensemble. In the binary subset, periodic SFE with mild OOF-score randomization reached 97.08% at level 10, 5.14% above the strict-pruning configuration and cut runtime by 10.5% relative to no compression. In the multi-class subset, periodic attention selection reached 98.60% at level 10, exceeding the strongest baseline by 6.11%, while reducing runtime by 56.1% and feature dimensionality by 74% compared to no compression. These findings highlight mild randomization as an effective regularizer and periodic compression as a stabilizer. Echoing the design of multistage rockets in aerospace (prune, compress, propel) RocketStack achieves deep recursive ensembling with tractable complexity.

We propose a novel approach for detecting personal data in structured datasets, leveraging GPT-4o, a state-of-the-art Large Language Model. A key innovation of our method is the incorporation of contextual information: in addition to a feature's name and values, we utilize information from other feature names within the dataset as well as the dataset description. We compare our approach to alternative methods, including Microsoft Presidio and CASSED, evaluating them on multiple datasets: DeSSI, a large synthetic dataset, datasets we collected from Kaggle and OpenML as well as MIMIC-Demo-Ext, a real-world dataset containing patient information from critical care units. Our findings reveal that detection performance varies significantly depending on the dataset used for evaluation. CASSED excels on DeSSI, the dataset on which it was trained. Performance on the medical dataset MIMIC-Demo-Ext is comparable across all models, with our GPT-4o-based approach clearly outperforming the others. Notably, personal data detection in the Kaggle and OpenML datasets appears to benefit from contextual information. This is evidenced by the poor performance of CASSED and Presidio (both of which do not utilize the context of the dataset) compared to the strong results of our GPT-4o-based approach. We conclude that further progress in this field would greatly benefit from the availability of more real-world datasets containing personal information.

Recent advancements in large language models (LLMs) have shown remarkable potential in automating machine learning tasks. However, existing LLM-based agents often struggle with low-diversity and suboptimal code generation. While recent work has introduced Monte Carlo Tree Search (MCTS) to address these issues, limitations persist in the quality and diversity of thoughts generated, as well as in the scalar value feedback mechanisms used for node selection. In this study, we introduce Introspective Monte Carlo Tree Search (I-MCTS), a novel approach that iteratively expands tree nodes through an introspective process that meticulously analyzes solutions and results from parent and sibling nodes. This facilitates a continuous refinement of the node in the search tree, thereby enhancing the overall decision-making process. Furthermore, we integrate a Large Language Model (LLM)-based value model to facilitate direct evaluation of each node's solution prior to conducting comprehensive computational rollouts. A hybrid rewarding mechanism is implemented to seamlessly transition the Q-value from LLM-estimated scores to actual performance scores. This allows higher-quality nodes to be traversed earlier. Applied to the various ML tasks, our approach demonstrates a 6% absolute improvement in performance compared to the strong open-source AutoML agents, showcasing its effectiveness in enhancing agentic AutoML systems. Resource available at https://github.com/jokieleung/I-MCTS

Dataset distillation generates a small set of information-rich instances from a large dataset, resulting in reduced storage requirements, privacy or copyright risks, and computational costs for downstream modeling, though much of the research has focused on the image data modality. We study tabular data distillation, which brings in novel challenges such as the inherent feature heterogeneity and the common use of non-differentiable learning models (such as decision tree ensembles and nearest-neighbor predictors). To mitigate these challenges, we present $\texttt{TDColER}$, a tabular data distillation framework via column embeddings-based representation learning. To evaluate this framework, we also present a tabular data distillation benchmark, ${{\sf \small TDBench}}$. Based on an elaborate evaluation on ${{\sf \small TDBench}}$, resulting in 226,890 distilled datasets and 548,880 models trained on them, we demonstrate that $\texttt{TDColER}$ is able to boost the distilled data quality of off-the-shelf distillation schemes by 0.5-143% across 7 different tabular learning models.

Tabular data, which accounts for over 80% of enterprise data assets, is vital in various fields. With growing concerns about privacy protection and data-sharing restrictions, generating high-quality synthetic tabular data has become essential. Recent advancements show that large language models (LLMs) can effectively gener-ate realistic tabular data by leveraging semantic information and overcoming the challenges of high-dimensional data that arise from one-hot encoding. However, current methods do not fully utilize the rich information available in tables. To address this, we introduce AI Generative Table (AIGT) based on prompt enhancement, a novel approach that utilizes meta data information, such as table descriptions and schemas, as prompts to generate ultra-high quality synthetic data. To overcome the token limit constraints of LLMs, we propose long-token partitioning algorithms that enable AIGT to model tables of any scale. AIGT achieves state-of-the-art performance on 14 out of 20 public datasets and two real industry datasets within the Alipay risk control system.

Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents have shown promise in automating machine learning tasks, they often generate low-diversity and suboptimal code, even after multiple iterations. To overcome these limitations, we introduce Tree-Search Enhanced LLM Agents (SELA), an innovative agent-based system that leverages Monte Carlo Tree Search (MCTS) to optimize the AutoML process. By representing pipeline configurations as trees, our framework enables agents to conduct experiments intelligently and iteratively refine their strategies, facilitating a more effective exploration of the machine learning solution space. This novel approach allows SELA to discover optimal pathways based on experimental feedback, improving the overall quality of the solutions. In an extensive evaluation across 20 machine learning datasets, we compare the performance of traditional and agent-based AutoML methods, demonstrating that SELA achieves a win rate of 65% to 80% against each baseline across all datasets. Automated Machine Learning (AutoML) is a rapidly evolving field that seeks to automate the process of designing reliable machine learning solutions with minimal human intervention. Traditional AutoML frameworks, such as Auto-WEKA (Thornton et al., 2013), Auto-Sklearn (Feurer et al., 2015; 2020), AutoGluon (Tang et al., 2024b), and H2O AutoML (LeDell & Poirier, 2020), rely on predefined search spaces and routines. These frameworks primarily focus on optimizing hyperparameters and model ensembling to find the best model configuration. However, this fixed and static approach often lacks the adaptability needed to handle diverse and dynamic data scenarios, resulting in suboptimal performance in more complex settings.