Si-Yang Liu

Si-Yang Liu, Hao-Run Cai, Qi-Le Zhou et al.

Tabular data is one of the most common data sources in machine learning. Although a wide range of classical methods demonstrate practical utilities in this field, deep learning methods on tabular data are becoming promising alternatives due to their flexibility and ability to capture complex interactions within the data. Considering that deep tabular methods have diverse design philosophies, including the ways they handle features, design learning objectives, and construct model architectures, we introduce a versatile deep-learning toolbox called TALENT (Tabular Analytics and LEarNing Toolbox) to utilize, analyze, and compare tabular methods. TALENT encompasses an extensive collection of more than 20 deep tabular prediction methods, associated with various encoding and normalization modules, and provides a unified interface that is easily integrable with new methods as they emerge. In this paper, we present the design and functionality of the toolbox, illustrate its practical application through several case studies, and investigate the performance of various methods fairly based on our toolbox. Code is available at https://github.com/qile2000/LAMDA-TALENT.

Han-Jia Ye, Si-Yang Liu, Hao-Run Cai et al.

Tabular data is prevalent across diverse domains in machine learning. With the rapid progress of deep tabular prediction methods, especially pretrained (foundation) models, there is a growing need to evaluate these methods systematically and to understand their behavior. We present an extensive study on TALENT, a collection of 300+ datasets spanning broad ranges of size, feature composition (numerical/categorical mixes), domains, and output types (binary, multi--class, regression). Our evaluation shows that ensembling benefits both tree-based and neural approaches. Traditional gradient-boosted trees remain very strong baselines, yet recent pretrained tabular models now match or surpass them on many tasks, narrowing--but not eliminating--the historical advantage of tree ensembles. Despite architectural diversity, top performance concentrates within a small subset of models, providing practical guidance for method selection. To explain these outcomes, we quantify dataset heterogeneity by learning from meta-features and early training dynamics to predict later validation behavior. This dynamics-aware analysis indicates that heterogeneity--such as the interplay of categorical and numerical attributes--largely determines which family of methods is favored. Finally, we introduce a two-level design beyond the 300 common-size datasets: a compact TALENT-tiny core (45 datasets) for rapid, reproducible evaluation, and a TALENT-extension suite targeting high-dimensional, many-class, and very large-scale settings for stress testing. In summary, these results offer actionable insights into the strengths, limitations, and future directions for improving deep tabular learning.

Zi-Rong Li, Si-Yang Liu, Tian-Zuo Wang et al.

Causal discovery aims to recover directed causal relations from observational and interventional data, providing a basis for mechanistic understanding and reliable decision-making. Causal discovery foundation models (CDFMs) seek to amortize this problem by mapping a dataset directly to a causal graph in a single forward pass, avoiding per-dataset testing, search, or optimization. However, existing CDFMs remain limited, often failing to consistently match strong classical methods, and we find that a key bottleneck is how causal pretraining tasks are constructed. Based on this observation, we propose TabCausal, a data-driven CDFM trained with broad causal pretraining over diverse graph priors, structural mechanisms, noise models, dimensions, sample sizes, and intervention regimes. A dynamic task construction strategy composes these causal environments into varied discovery tasks, enabling more transferable structural learning from observational and mixed-interventional data. On large-scale synthetic benchmarks, TabCausal achieves better macro-averaged performance than a diverse set of causal discovery baselines. To further bridge abstract synthetic generators and realistic causal reasoning scenarios, we introduce a protocol-guided and LLM-audited semantic causal environment benchmark, where domain-grounded SCMs generate interpretable observational and interventional datasets for out-of-distribution analysis. Across both synthetic and semantic environments, TabCausal demonstrates robust structure recovery, especially under interventional evidence, highlighting broad causal pretraining as a key ingredient for transferable amortized causal discovery.

Jun-Peng Jiang, Si-Yang Liu, Hao-Run Cai et al.

Tabular data, structured as rows and columns, is among the most prevalent data types in machine learning classification and regression applications. Models for learning from tabular data have continuously evolved, with Deep Neural Networks (DNNs) recently demonstrating promising results through their capability of representation learning. In this survey, we systematically introduce the field of tabular representation learning, covering the background, challenges, and benchmarks, along with the pros and cons of using DNNs. We organize existing methods into three main categories according to their generalization capabilities: specialized, transferable, and general models. Specialized models focus on tasks where training and evaluation occur within the same data distribution. We introduce a hierarchical taxonomy for specialized models based on the key aspects of tabular data -- features, samples, and objectives -- and delve into detailed strategies for obtaining high-quality feature- and sample-level representations. Transferable models are pre-trained on one or more datasets and subsequently fine-tuned on downstream tasks, leveraging knowledge acquired from homogeneous or heterogeneous sources, or even cross-modalities such as vision and language. General models, also known as tabular foundation models, extend this concept further, allowing direct application to downstream tasks without fine-tuning. We group these general models based on the strategies used to adapt across heterogeneous datasets. Additionally, we explore ensemble methods, which integrate the strengths of multiple tabular models. Finally, we discuss representative extensions of tabular learning, including open-environment tabular machine learning, multimodal learning with tabular data, and tabular understanding. More information can be found in the following repository: https://github.com/LAMDA-Tabular/Tabular-Survey.

Si-Yang Liu, Han-Jia Ye

TabPFN has emerged as a promising in-context learning model for tabular data, capable of directly predicting the labels of test samples given labeled training examples. It has demonstrated competitive performance, particularly on small-scale classification tasks. However, despite its effectiveness, TabPFN still requires further refinement in several areas, including handling high-dimensional features, aligning with downstream datasets, and scaling to larger datasets. In this paper, we revisit existing variants of TabPFN and observe that most approaches focus either on reducing bias or variance, often neglecting the need to address the other side, while also increasing inference overhead. To fill this gap, we propose Beta (Bagging and Encoder-based Fine-tuning for TabPFN Adaptation), a novel and effective method designed to minimize both bias and variance. To reduce bias, we introduce a lightweight encoder to better align downstream tasks with the pre-trained TabPFN. By increasing the number of encoders in a lightweight manner, Beta mitigate variance, thereby further improving the model's performance. Additionally, bootstrapped sampling is employed to further reduce the impact of data perturbations on the model, all while maintaining computational efficiency during inference. Our approach enhances TabPFN's ability to handle high-dimensional data and scale to larger datasets. Experimental results on over 200 benchmark classification datasets demonstrate that Beta either outperforms or matches state-of-the-art methods.

Han-Jia Ye, Si-Yang Liu, Wei-Lun Chao

Tabular datasets are inherently heterogeneous, presenting significant challenges for developing pre-trained foundation models. The recently introduced transformer-based Tabular Prior-data Fitted Network v2 (TabPFN v2) achieves unprecedented in-context learning performance across diverse downstream datasets, marking a pivotal advancement in tabular foundation models. In this paper, we take a closer look at TabPFN v2 to examine how it effectively handles heterogeneity and achieves high predictive accuracy, and to explore how its limitations in high-dimensional, many-category, and large-scale tasks can be mitigated. We find that TabPFN v2 can infer attribute relationships even when provided with randomized attribute token inputs, eliminating the need to explicitly learn dataset-specific attribute embeddings to address heterogeneity. We further show that TabPFN v2 can be transformed into a feature extractor, revealing its ability to construct a highly separable feature space for accurate predictions. Lastly, we demonstrate that TabPFN v2's limitations can be addressed through a test-time divide-and-conquer strategy, enabling scalable inference without requiring re-training. By uncovering the mechanisms behind TabPFN v2's success and introducing strategies to extend its applicability, this study offers key insights into the design of future tabular foundation models.

Si-Yang Liu, Qile Zhou, Han-Jia Ye

Tabular data, a fundamental data format in machine learning, is predominantly utilized in competitions and real-world applications. The performance of tabular models--such as gradient boosted decision trees and neural networks--can vary significantly across datasets due to differences in feature distributions and task characteristics. Achieving top performance on each dataset often requires specialized expert knowledge. To address this variability, practitioners often aggregate the predictions of multiple models. However, conventional aggregation strategies typically rely on static combination rules and lack instance-level adaptability. In this work, we propose an in-context ensemble framework for tabular prediction that leverages large language models (LLMs) to perform dynamic, instance-specific integration of external model predictions. Without access to raw tabular features or semantic information, our method constructs a context around each test instance using its nearest neighbors and the predictions from a pool of external models. Within this enriched context, we introduce Chain of Tabular Thoughts (CoT$^2$), a prompting strategy that guides LLMs through multi-step, interpretable reasoning, making still further progress toward expert-level decision-making. Experimental results show that our method outperforms well-tuned baselines and standard ensemble techniques across a wide range of tabular datasets.