表格深度学习

Tabular foundation models, exemplified by TabPFN, perform prediction via in-context learning, inferring test labels directly from labeled training examples. They have demonstrated competitive performance, particularly on small-to-medium datasets. However, recent tabular foundation models often improve accuracy with increasingly complex architectures, incurring higher inference cost and limiting practical deployment. In this work, we revisit the original TabPFN design and show that a lightweight row-wise attention–only backbone can remain highly competitive with two simple enhancements: a gated attention stabilization mechanism and a small set of learnable register tokens that provide global context and improve pretraining quality. The resulting model, TabSwift, supports both classification and regression, and is competitive with stronger tabular foundation models (e.g., TabPFN v2 and TabICL) while being more efficient at inference. For latency-sensitive serving, we further introduce an adaptive layer-wise early-exit mechanism that dynamically adjusts inference depth per sample. Overall, TabSwift enables efficient and anytime tabular in-context learning for practical deployments.

Counterfactual explanations (CEs) are essential for actionable recourse, yet their reliability is often compromised in low-density regions, where classifiers exhibit high variance. Unlike existing methods that rely on expensive ensemble intersections to define stability, we propose DensityFlow, a generative framework that constructs robust CEs by adhering to the high-confidence data manifold. Specifically, we model the counterfactual generation as continuous-time dynamics parameterized by Neural ODE, guided by a differentiable density score to actively avoid uncertain, low-density areas. This density score is learned via Noise Contrastive Estimation, effectively leveraging a $(K{+}1)$-way discriminator to estimate density ratios. For black-box settings, we introduce a local proxy distillation mechanism that aligns a lightweight surrogate with the target model strictly within the trajectory of CE generation, enabling efficient gradient-based optimization with minimal queries. Experiments demonstrate that \textit{DensityFlow} achieves superior validity under model multiplicity while significantly reducing query costs compared to ensemble-based baselines. Our implementation is available at \url{https://github.com/G-AILab/DensityFlow}.

Advances in generative modeling have recently been adapted to tabular data containing discrete and continuous features. However, generating mixed-type features that combine discrete states with an otherwise continuous distribution in a single feature remains challenging. We advance the state-of-the-art in diffusion models for tabular data with a cascaded approach. We first generate a low-resolution version of a tabular data row, that is, the collection of the purely categorical features and a coarse categorical representation of numerical features. Next, this information is leveraged in the high-resolution flow matching model via a novel guided conditional probability path and data-dependent coupling. The low-resolution representation of numerical features explicitly accounts for discrete outcomes, such as missing or inflated values, and therewith enables a more faithful generation of mixed-type features. We formally prove that this cascade tightens the transport cost bound. The results indicate that our model generates significantly more realistic samples and captures distributional details more accurately, for example, the detection score improves by 51.9%. Code is available at https://github.com/muellermarkus/tabcascade.

Recent advancements in tabular deep learning have demonstrated exceptional practical performance, yet the field often lacks a clear understanding of why these techniques actually succeed. To address this gap, our paper highlights the importance of the concept of data (aleatoric) uncertainty for explaining the effectiveness of recent tabular DL methods. While data uncertainty leads to irreducible prediction errors on test samples, it also introduces stochasticity into the training signal that can impede effective learning. We demonstrate that tabular methods differ significantly in their ability to cope with this optimization challenge. Specifically, we reveal that the success of many beneficial design choices in tabular DL, such as numerical feature embeddings, advanced ensembling strategies, retrieval-augmented models, and tabular Prior-Fitted Networks, can be partially attributed to their respective implicit mechanisms for performing well under high data uncertainty. By dissecting these varied mechanisms, we provide a unifying understanding of recent performance improvements. Furthermore, leveraging insights from this perspective, we design a novel, more effective numerical feature embedding method as an immediate practical outcome of our analysis. Overall, our work paves the way toward a principled understanding of the benefits introduced by modern tabular methods that results in the concrete advancements of existing techniques and outlines future research directions for tabular DL.

Despite their dominance in vision and language, deep neural networks often underperform relative to tree-based models on tabular data. To bridge this gap, we incorporate five key inductive biases into deep tabular learning: robustness to irrelevant features, axis alignment, localized irregularities, feature heterogeneity, and training stability. We propose *LassoFlexNet*, an architecture that evaluates the linear and nonlinear marginal contribution of each input via Per-Feature Embeddings, and sparsely selects relevant variables using a Tied Group Lasso mechanism. Because these components introduce optimization challenges that destabilize standard proximal methods, we analyze stochastic hierarchical proximal dynamics and develop a *Sequential Hierarchical Proximal Adaptive Gradient optimizer with exponential moving averages (EMA)* designed to stabilize training in practice. Across 52 datasets from three benchmarks, LassoFlexNet matches or outperforms leading tree-based models, achieving up to a $10$\% relative gain, while maintaining Lasso-like interpretability. We substantiate these empirical results with ablation studies and theoretical proofs confirming the architecture's enhanced expressivity and structural breaking of undesired rotational invariance.

Deep learning models for supervised learning on tabular data are rapidly improving. Notably, ensembles (mixtures of multiple models) often play an important role in achieving top performance, which motivates designing _ensemble-first_ systems rather than treating ensembling as an ad hoc trick. In this work, we present TabPack — a new ensembling approach that packs many base model–optimizer pairs with different hyperparameters into a single neural network and a single optimizer. The base model and optimizer hyperparameters are sampled randomly, after which all base models are trained in parallel, and the final ensemble is built on the fly during training. As a result, TabPack produces powerful ensembles in a single run, with substantial efficiency gains over traditional approaches. With its remarkable efficiency, strong performance on medium-to-large datasets, and reduced reliance on traditional hyperparameter tuning, TabPack is an appealing solution for practitioners and researchers that makes tabular DL more accessible on consumer-grade hardware and suggests a new avenue for designing better tabular deep learning systems.

A significant gap exists between theory and practice in deep learning. Generalization and approximation error bounds are often derived for simplified models or are too loose to be informative. Many rely on the manifold hypothesis and on geometric regularity such as intrinsic dimension, curvature, and reach. Progress requires insight into data-manifold geometry and suitable benchmarks, yet existing options are polarized: analytic manifolds with known geometry but limited applicability, or real-world datasets where geometry is only coarsely estimable. We introduce a benchmarking framework for studying data geometry. We repurpose and extend dSprites and COIL-20 with additional transformation dimensions and dense, axis-aligned sampling, and pair them with finite-difference estimators that recover curvature, reach, and volume at near-ground-truth accuracy in a regime where general-purpose estimators are unreliable or difficult to deploy. The framework is intended as a controlled testbed, useful as a calibration environment for geometric estimators and a sandbox for probing theoretical assumptions. To illustrate its use, we present two application studies, namely assessing the scaling behavior of the bounds of Genovese et al. and Fefferman et al., and tracking the layer-wise geometry of a $\beta$-VAE, highlighting the behavior of current bounds and the value of controlled benchmarks for guiding and validating future theory. A reference implementation is available at https://github.com/koulakis/manifold-microscope.

Anomaly detection (AD) on real-world tabular data is challenged by diverse anomaly types, scarce labels, and high sensitivity to data-specific hyperparameter tuning. A central difficulty is that different anomaly types favor opposing representations: *compactness* - tightening the normal class to expose pointwise deviations - and *structure preservation* - retaining cluster and cross-feature relationships. Existing one-class detectors capture only one of these or balance them via hyperparameters, which is problematic without validation labels. We propose **Discriminant Vector Machine for Anomaly Detection (DVM-AD)**, a closed-form one-class method derived from discriminant analysis that captures both behaviors under a single fixed configuration. From a deterministic reference point built from the training data, DVM-AD derives a bounded ratio whose two ends correspond to compressive and structure-preserving directions. This bound enables selecting directions from both ends simultaneously without dataset-specific tuning. In addition, a Moore-Penrose pseudo-inverse keeps the method well-posed under high-dimensional or rank-deficient settings, and test samples are scored by nearest-neighbor distance in the discriminant space, normalized for thresholding-ready use. Across 47 ADBench tabular datasets and 10 NLP/CV embedding benchmarks against 28 baselines, DVM-AD achieves the best average AUROC (89.65\%, average rank 2.98) on tabular datasets and remains top-ranked across four anomaly types and on embedding tasks (average rank 1.60, AUROC 72.68\%).

Large Language Models (LLMs) have advanced Table Question Answering, where most queries can be answered by extracting information or simple aggregation. However, a common class of real-world queries is implicitly predictive, requiring the inference of unobserved answers from historical patterns rather than mere retrieval. These queries introduce two challenges: recognizing latent intent and reliable predictive reasoning over massive tables. To assess LLMs in such Tabular questiOn answering with implicit Prediction tasks, we introduce TopBench, a benchmark consisting of 779 samples across four sub-tasks, ranging from single-point prediction to decision making, treatment effect analysis, and complex filtering, requiring models to generate outputs spanning reasoning text and structured tables. We evaluate diverse models under both text-based and agentic workflows. Experiments reveal that current models often struggle with intent recognition, defaulting to just lookups. Deeper analysis identifies that accurate intent disambiguation serves as the prerequisite for leading these predictive behaviors. Furthermore, elevating the upper bound of prediction precision requires the integration of more sophisticated modeling or reasoning capabilities.

Recent advances have shifted the paradigm of tabular learning toward tabular foundation models, yet their accuracy relies on a heavy inference cost that scales poorly with context size. Deep neural networks remain a highly competitive and more efficient modeling paradigm when equipped with well-designed architectures; however, identifying such architectures in a data-adaptive and budget-aware manner remains challenging. We propose pTNAS, the first progressive neural architecture search (NAS) approach tailored for tabular data, which enables fast identification of a viable architecture and continuously improves its search performance as more budget becomes available. pTNAS adopts a filter-and-refine optimization strategy that combines efficient training-free and effective training-based architecture evaluation. In the filtering phase, we introduce pTProxy, a novel zero-cost proxy specifically designed for tabular networks that jointly captures architectural trainability and expressivity, enabling fast filtering of large architecture search spaces. In the refinement phase, pTNAS employs a fixed-budget scheduling algorithm to accurately identify the best-performing architecture from a small set of promising candidates. We further propose a budget-aware coordinator to optimize budget allocation holistically. Experiments show that pTNAS reduces the time to reach the globally best architecture by up to 82.75 X compared with other NAS approaches, achieves the best average predictive rank, and improves end-to-end efficiency by up to 4.78 X compared with TabPFN.

Federated Learning (FL) enables collaborative training of distributed clients while protecting privacy. To enhance generalization capability in FL, prototype-based FL is in the spotlight, since shared global prototypes offer semantic anchors for aligning client-specific local prototypes. However, existing methods update global prototypes at the prototype-level via averaging local prototypes or refining global anchors, which often leads to semantic drift across clients and subsequently yields a misaligned global signal. To alleviate this issue, we introduce **hyper-prototypes**, defined by a set of learnable global class-wise prototypes to preserve underlying semantic knowledge across clients. The hyper-prototypes are optimized via gradient matching to align with class-relevant characteristics distilled directly from clients' real samples, rather than prototype-level descriptors. We further propose **FedHPro**, a Federated Hyper-Prototype Learning framework, to leverage hyper-prototypes to promote inter-class separability via mutual-contrastive learning with client-specific margin, while encouraging intra-class uniformity through a consistency penalty. Comprehensive experiments under diverse heterogeneous scenarios confirm that 1) hyper-prototypes produce a more semantically consistent global signal, and 2) FedHPro achieves state-of-the-art performance on several benchmark datasets.

Graph foundation models face several fundamental challenges including transferability across diverse domains and data scarcity, which calls into question the very feasibility of creating such models. However, despite similar challenges, the tabular domain has recently witnessed the emergence of the first successful foundation models such as TabPFN. These models are based on the prior-data fitted networks (PFN) framework, in which models are pretrained on carefully designed synthetic datasets to make predictions in an in-context learning setting. Recently, G2T-FM, a framework that converts graph node-level tasks into tabular tasks, has made the first step towards adopting PFNs for graphs, yet it is limited to hand-crafted features and was never pretrained on graph data. In this work, we make the next step by proposing GraphPFN, a PFN-based model designed and pretrained specifically for graph node-level tasks. Following the PFN framework, we first design a prior distribution of synthetic attributed graphs by using a novel combination of multi-level stochastic block models and a preferential attachment process for structure generation and graph-aware structured causal models for attribute generation. Then, we augment the tabular foundation model LimiX with attention-based graph neighborhood aggregation layers and train it on millions of synthetic graphs sampled from our prior. On diverse real-world graph datasets with node-level tasks, GraphPFN achieves state-of-the-art results in both in-context learning and finetuning regimes, outperforming G2T-FM, prior GFMs, and task-specific GNNs trained from scratch. More broadly, GraphPFN shows the potential of PFN-based models for building graph foundation models. Our code is available at https://github.com/yandex-research/graphpfn.

Large-scale models are pretrained on massive web-crawled datasets containing documents of mixed quality, making data filtering essential. A popular method is Classifier-based Quality Filtering (CQF), which trains a binary classifier to distinguish between pretraining data and a small, high-quality set. It assigns each pretraining document a quality score defined as the classifier's score and retains only the top-scoring ones. We provide an in-depth analysis of CQF. We show that while CQF improves downstream task performance, it does not necessarily enhance language modeling on the high-quality set. Importantly, we find that training on CQF-selected data can outperform training directly on the high-quality set, even when the latter is sufficiently large. This finding alone is particularly striking, given the substantial effort and cost recently devoted to augmenting high-quality data. We explain this paradox by the fact that CQF implicitly filters the high-quality dataset as well as the low-quality one. Finally, we introduce an optimization-driven notion of data quality and demonstrate that it can be reliably estimated using small-scale proxy experiments. Altogether, our results both elucidate the mechanisms behind CQF and deepen our understanding of data selection methods widely used in practice.

The annealing phase is a pivotal convergence stage in LLM pre-training that ultimately determines final model quality. However, effectively selecting training data during this phase remains a key challenge. Current strategies rely on empirical heuristics, such as domain filtering or context extension, which lack a principled grounding in optimization theory. In this work, we characterize the annealing phase through the lens of the loss landscape's spectral geometry. We argue that optimal convergence requires gradient updates to satisfy heterogeneous constraints across different eigen-directions. Building on this insight, we formulate data selection as a problem of satisfying these directional constraints. To this end, we propose **DiReCT** (**Di**rectionally-**Re**strained **C**onstrained **T**raining), a novel framework that reformulates sample selection in the annealing stage as a constrained optimization problem. By imposing explicit directional constraints on per-sample gradients based on the spectral properties of the Hessian, **DiReCT** identifies samples that align with the optimal curvature-aware descent path. Extensive experiments across various model scales demonstrate that **DiReCT** consistently achieves state-of-the-art performance. For future research, code is available at https://github.com/xuyj233/Direct.

Instruction tuning is essential for aligning large language models (LLMs) to downstream tasks and commonly relies on large, diverse corpora. However, small, high-quality subsets, known as coresets, can deliver comparable or superior results, though curating them remains challenging. Existing methods often rely on coarse, sample-level signals like gradients, an approach that is computationally expensive and overlooks fine-grained features. To address this, we introduce TRIM (Token Relevance via Interpretable Multi-layer Attention), a forward-only, token-centric framework. Instead of using gradients, TRIM operates by matching underlying representational patterns identified via attention-based "fingerprints" from a handful of target samples. Such an approach makes TRIM highly efficient and uniquely sensitive to the structural features that define a task. Coresets selected by our method consistently outperform state-of-the-art baselines by up to 9% on downstream tasks and even surpass the performance of full-data fine-tuning in some settings. By avoiding expensive backward passes, TRIM achieves this at a fraction of the computational cost. These findings establish TRIM as a scalable and efficient alternative for building high-quality instruction-tuning datasets.

Data attribution has become an important component of pricing, auditing, and governance in machine learning pipelines, yet most attribution methods implicitly assume that attribution values faithfully reflect participants' contributions. We show that this assumption can fail: a single participant in a standard distributed training workflow can substantially inflate its measured attribution value while preserving global utility. Our attribution-first attack uses latent optimization to inject small synthetic batches that preserve utility while exploiting non-IID label coverage and evaluator sensitivities. Across datasets, models, and multiple marginal-utility evaluators, the attack consistently increases the adversary’s attribution value and reshapes the relative attribution structure among benign clients without degrading accuracy or triggering geometry-based defenses. These results show that attribution itself forms a new attack surface and motivate the development of attribution-robust and incentive-compatible scoring mechanisms.

Diffusion models achieve state-of-the-art image generation but often produce semantic inconsistencies, or *hallucinations*. Existing inference-time guidance methods rely on external signals or architectural modifications, adding computational overhead. We propose **T**angential **A**mplifying **G**uidance **(TAG)**, a training-free, architecture-agnostic, plug-and-play guidance method that operates purely on trajectory signals. TAG uses an intermediate sample as a projection basis and amplifies the tangential components of the estimated score to correct the sampling trajectory. A first-order Taylor analysis shows that this steers the state toward higher-probability regions of the data manifold, reducing inconsistencies and improving fidelity while adding negligible overhead to existing samplers. Code is available at our Project Page (https://hyeon-cho.github.io/TAG/).

Robot manipulation has increasingly adopted data-driven generative policy frameworks, yet the field faces a persistent trade-off: diffusion models suffer from high inference latency, while flow-based methods often require complex architectural constraints. Although in image generation domain, the MeanFlow paradigm offers a path to single-step inference, its direct application to robotics is impeded by critical theoretical pathologies, specifically spectral bias and gradient starvation in low-velocity regimes. To overcome these limitations, we propose the One-step MeanFlow Policy (OMP), a novel framework designed for high-fidelity, real-time manipulation. We introduce a lightweight directional alignment mechanism to explicitly synchronize predicted velocities with true mean velocities. Furthermore, we implement a Differential Derivation Equation (DDE) to approximate the Jacobian-Vector Product (JVP) operator, which decouples forward and backward passes to significantly reduce memory complexity. Extensive experiments on the Adroit and Meta-World benchmarks demonstrate that OMP outperforms state-of-the-art methods in success rate and trajectory accuracy, particularly in high-precision tasks, while retaining the efficiency of single-step generation.

Post-training compression is currently divided into two contrasting regimes. On the one hand, fast, data-free, and model-agnostic methods (e.g., NF4 or HQQ) offer maximum accessibility but suffer from functional collapse at extreme bit-rates below 4 bits. On the other hand, techniques leveraging calibration data or extensive recovery training achieve superior fidelity but impose high computational constraints and face uncertain robustness under data distribution shifts. We introduce EntQuant, a framework that unites the advantages of these distinct paradigms. By matching the performance of data-dependent methods with the speed and universality of data-free techniques, EntQuant enables practical utility in the extreme compression regime. Our method decouples numerical precision from storage cost via entropy coding, compressing a 70B parameter model in less than 10 minutes. We demonstrate that EntQuant does not only achieve state-of-the-art results on standard evaluation sets and models, but also retains functional performance on more complex benchmarks with instruction-tuned models, all at modest inference overhead.

Learning conditional distributions $\pi^\star(\cdot|x)$ is a central problem in machine learning, which is typically approached via supervised methods with paired data $(x,y) \sim \pi^\star$. However, acquiring paired data samples is often challenging, especially in problems such as domain translation. This necessitates the development of *semi-supervised* models that utilize both limited paired data and additional unpaired i.i.d. samples $x \sim \pi^\star_x$ and $y \sim \pi^\star_y$ from the marginal distributions. The usage of such combined data is complex and often relies on heuristic approaches. To tackle this issue, we propose a new learning paradigm that integrates both paired and unpaired data seamlessly using data likelihood maximization techniques. We demonstrate that our approach also connects intriguingly with inverse entropic optimal transport (OT). This finding allows us to apply recent advances in computational OT to establish an *end-to-end* learning algorithm to get $\pi^\star(\cdot|x)$. In addition, we derive the universal approximation property, demonstrating that our approach can theoretically recover true conditional distributions with arbitrarily small error. Finally, we demonstrate through empirical tests that our method effectively learns conditional distributions using paired and unpaired data simultaneously.