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TabPFN-3: Technical Report

arXiv.org Machine Learning

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.


Finite-size scaling of hetero-associative retrieval in continuous-signal-driven Ising spin systems

arXiv.org Machine Learning

Kosko's Bidirectional Associative Memory [17] first formalised this idea for two layers, showing that stable recallContent-addressable memory--the recovery of a complete stored record from a partial or degraded cue--is aarises from the same energy-descent principle as in Hopcornerstone of neural computation and a paradigmaticfield networks but across two distinct pattern spaces: a problem in the statistical mechanics of disordered sys-cue presented to one layer drives the other toward the tems. The Hopfield model [1] demonstrated that binarymatching stored pattern, enabling cross-modal compleNtion. Multi-species spin-glass analyses [18] subsequentlypatterns in { 1,+1} can be stored as fixed-point attractors of an energy landscape shaped by Hebbian couplings, provided a rigorous thermodynamic foundation for arwhile Little's earlier stochastic formulation [2] cast thechitectures with an arbitrary number of interacting popsame architecture in the language of equilibrium statisti-ulations, generalising the classical single-species phase cal mechanics through parallel probabilistic updates.


How to Scale Mixture-of-Experts: From muP to the Maximally Scale-Stable Parameterization

arXiv.org Machine Learning

Recent frontier large language models predominantly rely on Mixture-of-Experts (MoE) architectures. Despite empirical progress, there is still no principled understanding of how hyperparameters should scale with network width $N$, expert width $N_e$, number of experts $M$, sparsity $K$, and depth $L$ to ensure both stability and optimal performance at scale. We take a principled step toward resolving this gap by analyzing three different scaling regimes: (I) co-scaling $N\asymp N_e$, (II) co-scaling $N\asymp M\asymp K$, and (III) full proportional scaling of $N, N_e, M$, and $K$. For each regime, we develop a novel Dynamical Mean Field Theory (DMFT) description of the limiting training dynamics of MoEs that provides a formal foundation for our analysis. Within this framework, we derive the unique parameterization for SGD and Adam satisfying all maximal-update ($μ$) desiderata. We then show that the resulting $μ$P prescription does not reliably induce monotonic improvement with scale or robust learning-rate transfer. We trace these pathologies to scale-dependent observables in the aggregation dynamics, which motivates a refined set of desiderata that we term maximal scale stability. Guided by this principle, we derive a Maximally Scale-Stable Parameterization (MSSP) for both SGD and Adam in all three scaling regimes, and characterize the corresponding limiting dynamics - qualitatively distinct from the $μ$P limit - through a separate DMFT analysis. Experiments verify that MSSP robustly recovers learning rate transfer and monotonic improvement with scale across regimes. Combined with existing depth-scaling theory, these results provide a complete scaling prescription for MoE architectures as a function of width, depth, expert width, and number of experts.


Policy Optimization in Hybrid Discrete-Continuous Action Spaces via Mixed Gradients

arXiv.org Machine Learning

We study reinforcement learning in hybrid discrete-continuous action spaces, such as settings where the discrete component selects a regime (or index) and the continuous component optimizes within it -- a structure common in robotics, control, and operations problems. Standard model-free policy gradient methods rely on score-function (SF) estimators and suffer from severe credit-assignment issues in high-dimensional settings, leading to poor gradient quality. On the other hand, differentiable simulation largely sidesteps these issues by backpropagating through a simulator, but the presence of discrete actions or non-smooth dynamics yields biased or uninformative gradients. To address this, we propose Hybrid Policy Optimization (HPO), which backpropagates through the simulator wherever smoothness permits, using a mixed gradient estimator that combines pathwise and SF gradients while maintaining unbiasedness. We also show how problems with action discontinuities can be reformulated in hybrid form, further broadening its applicability. Empirically, HPO substantially outperforms PPO on inventory control and switched linear-quadratic regulator problems, with performance gaps increasing as the continuous action dimension grows. Finally, we characterize the structure of the mixed gradient, showing that its cross term -- which captures how continuous actions influence future discrete decisions -- becomes negligible near a discrete best response, thereby enabling approximate decentralized updates of the continuous and discrete components and reducing variance near optimality.


K-Models: a Flexible and Interpretable Method for Ordinal Clustering with Application to Antigen-Antibody Interaction Profiles

arXiv.org Machine Learning

Existing clustering methods for functional data often prioritize partitioning accuracy over interpretability, making it challenging to extract meaningful insights when the data-generating process follows a specific underlying structure and an ordinal relationship among clusters is suspected. This work introduces K-Models, a novel framework that integrates ordinal constraints and estimates key underlying elements of the random process generating the observed functional profiles, improving both interpretability and structure identification. The proposed method is evaluated through simulations and real-world applications. In particular, it is tested on Region of Interest (ROI) curves, which represent reaction profiles from a reflectometric sensor monitoring biomolecular interactions, such as antigen-antibody binding. These curves represent changes in reflected light intensity over time at multiple measurement spots with immobilized antigens during analyte exposure, capturing the binding dynamics of the system. The goal is to identify intrinsic signal patterns solely from the observed dynamics, making this dataset an ideal benchmark for assessing the added interpretability of the proposed approach. By incorporating structural assumptions into the clustering process, K-Models enhances interpretability while maintaining performance comparable to state-of-the-art techniques, providing a valuable tool for analyzing functional data with an underlying ordinal structure.


In-Context Learning for Data-Driven Censored Inventory Control

arXiv.org Machine Learning

We study inventory control with decision-dependent censoring, focusing on the censored or repeated newsvendor (R-NV), where each order quantity determines whether demand is fully observed or censored by sales. Existing approaches based on parametric Thompson sampling (TS) can be brittle under prior mismatch, while offline imputation methods need not transfer to online learning. Motivated by the predictive view of decision making, we combine these ideas by taking oracle actions on learned completions of latent demand. We propose in-context generative posterior sampling (ICGPS), which uses modern generative models that are meta-trained offline and deployed online by in-context autoregressive generation. Theoretically, we show that the Bayesian regret of ICGPS with a learned completion kernel is bounded by the Bayesian regret of a TS benchmark with the ideal completion kernel plus a deployment penalty scaling as $\sqrt{T}$ times the square root of the completion mismatch. This yields a plug-in template for operational problems with known TS regret bounds. For R-NV, we derive sublinear Bayesian regret by reducing censored feedback to bandit convex optimization feedback. We also show that, under reasonable coverage and stability assumptions, the online completion mismatch is controlled by the offline censored predictive mismatch, so offline predictive quality transfers to online performance. Practically, we instantiate ICGPS with ChronosFlow, which combines a frozen time-series transformer backbone with a trainable conditional normalizing-flow head for fast censoring-consistent sampling. In benchmark experiments, ChronosFlow-ICGPS matches correctly specified TS, outperforms myopic and UCB-style baselines, and is robust to prior mismatch and distribution shift. ChronosFlow-ICGPS also performs well for the real-world SuperStore dataset, especially under heavy censoring.


InfoSFT: Learn More and Forget Less with Information-Aware Token Weighting

arXiv.org Machine Learning

Supervised fine-tuning (SFT) provides the standard approach for teaching LLMs new behaviors from offline expert demonstrations. However, standard SFT uniformly fits all samples -- including those with low likelihood under the base model -- which can disproportionately drive training updates toward overfitting specific samples rather than learning the target behavior. Moreover, adapting to these unlikely samples induces substantial policy shifts that degrade prior capabilities. Existing methods mitigate this by filtering, regenerating, or down-weighting low-likelihood data. In doing so, they often suppress precisely the novel behaviors the base model has yet to learn. We propose InfoSFT, a principled weighting scheme for the SFT objective that concentrates learning signals on maximally informative, medium-confidence tokens -- those neither overly familiar to the base model nor too unlikely to cause instability. Requiring only a one-line modification to the standard token-wise loss, InfoSFT demonstrably improves generalization over vanilla SFT and likelihood-weighted baselines across math, code, and chain-of-thought tasks with diverse model families, while better preserving pre-existing capabilities.


From Data to Action: Accelerating Refinery Optimization with AI

arXiv.org Machine Learning

Nowadays refinery optimization utilizes sheer amounts of data, which can be handled with modern Linear Programming (LP) software, but the interpreting and applying the results remains challenging. Large petrochemical companies use massive models, with hundreds of thousands of input matrix elements. The LP solution is mathematically correct, but simplifications are made in the model, and data supply errors may occur. Therefore, further insight is needed to trust the results. The LP solver does not have a memory, so additional understanding could be gained by analyzing historical data and comparing it to the current plan. As such, machine learning approaches were suggested to support decision making based on the LP solution. Among these, Anomaly Detection tools are proposed to be used in tandem with the LP output. A transformed version of the popular ECOD methodology is applied. New methods are proposed to handle high-dimensional data: choosing the most informative pairs. Then, this is used alongside two 2D Anomaly Detection algorithms, revealing several business opportunities and data supply errors in the MOL refinery scheduling and planning architecture.


RoSHAP: A Distributional Framework and Robust Metric for Stable Feature Attribution

arXiv.org Machine Learning

Feature attribution analysis is critical for interpreting machine learning models and supporting reliable data-driven decisions. However, feature attribution measures often exhibit stochastic variation: different train--test splits, random seeds, or model-fitting procedures can produce substantially different attribution values and feature rankings. This paper proposes a framework for incorporating stochastic nature of feature attribution and a robust attribution metric, RoSHAP, for stable feature ranking based on the SHAP metric. The proposed framework models the distribution of feature attribution scores and estimates it through bootstrap resampling and kernel density estimation. We show that, under mild regularity conditions, the aggregated feature attribution score is asymptotically Gaussian, which greatly reduces the computational cost of distribution estimation. The RoSHAP summarizes the distribution of SHAP into a robust feature-ranking criterion that simultaneously rewards features that are active, strong, and stable. Through simulations and real-data experiments, the proposed framework and RoSHAP outperform standard single-run attribution measures in identifying signal features. In addition, models built using RoSHAP-selected features achieve predictive performance comparable to full-feature models while using substantially fewer predictors. The proposed RoSHAP approach improves the stability and interpretability of machine learning models, enabling reliable and consistent insights for analysis.


Text Knows What, Tables Know When: Clinical Timeline Reconstruction via Retrieval-Augmented Multimodal Alignment

arXiv.org Machine Learning

Reconstructing precise clinical timelines is essential for modeling patient trajectories and forecasting risk in complex, heterogeneous conditions like sepsis. While unstructured clinical narratives offer semantically rich and contextually complete descriptions of a patient's course, they often lack temporal precision and contain ambiguous event timing. Conversely, structured electronic health record (EHR) data provides precise temporal anchors but misses a substantial portion of clinically meaningful events. We introduce a retrieval-augmented multimodal alignment framework that bridges this gap to improve the temporal precision of absolute clinical timelines extracted from text. Our approach formulates timeline reconstruction as a graph-based multistep process: it first extracts central anchor events from narratives to build an initial temporal scaffold, places non-central events relative to this backbone, and then calibrates the timeline using retrieved structured EHR rows as external temporal evidence. Evaluated using instruction-tuned large language models on the i2m4 benchmark spanning MIMIC-III and MIMIC-IV, our multimodal pipeline consistently improves absolute timestamp accuracy (AULTC) and improves temporal concordance across nearly all evaluated models over unimodal text-only reconstruction, without compromising event match rates. Furthermore, our empirical gap analysis reveals that 34.8% of text-derived events are entirely absent from tabular records, demonstrating that aligning these modalities can produce a more temporally faithful and clinically informative reconstruction of patient trajectories than either source alone.