Synthetic Data Pretraining

Generative models trained on artificially generated data have been shown to exhibit model collapse, resulting in significant performance degradation. As synthetic content increasingly contaminates the training corpora of language models, this raises critical concerns about the use of open data in continued pretraining. Although previous work has demonstrated model collapse in language models, it remains unclear whether exposure to synthetic data amplifies or attenuates the social biases already present in pretrained models. Because language models are known to reproduce and amplify demographic stereotypes, recursive training on self-generated data may create a self-reinforcing feedback loop in which biased associations become progressively stronger across generations. We call this hypothesized phenomenon fairness collapse. In this work, we construct controlled training regimes in which models are repeatedly trained on synthetic data using the Bias in Bios dataset. Across experiments, we observe a consistent and concerning pattern: fairness degradation emerges before substantial degradation is reflected by standard language-modeling metrics. This result highlights a critical risk associated with synthetic data contamination in language model training: bias can increase silently before strong indicators of model collapse become apparent.

Relational Foundation Models (RFMs) require large-scale synthetic relational databases for pretraining, but existing approaches tightly couple data generation with the model training pipeline. We study whether PluRel, a general-purpose synthetic relational database generator, can serve as an external data source for RDB-PFN, a relational in-context learner originally pretrained with a 600K-task single-table warm-up followed by an approximately 1.8M-task adaptation stage. We build a conversion pipeline that maps PluRel-generated databases, including externally constructed binary prediction tasks, into the RDB-PFN training format and evaluate three curriculum strategies: SCHEMA-GUIDED FIRST (real-world schema then fully synthetic), FULLY SYNTHETIC (diverse synthetic schemas throughout), and SCHEMA-GUIDED LAST (fully synthetic then real-world schema). Using only approximately 5,500 relational databases (approximately 33K tasks), roughly 55x fewer tasks than the original protocol, and no single-table warm-up, our best curriculum (SCHEMA-GUIDED FIRST) achieves 0.6346 average ROC-AUC across 19 real benchmark tasks at 1024-shot context, recovering 87.6% of the published RDB-PFN performance (0.7245). At 64-shot context, the gap narrows to 93.8% (0.6116 vs. 0.6517). Our results demonstrate that external synthetic generators can provide useful pretraining signals for RFMs when combined with appropriate curriculum design and that exposure to a real-world schema early in training is substantially more effective than late-stage schema adaptation.

Relational Prior-Data Fitted Networks (PFNs) such as RDB-PFN approximate Bayesian inference over multi-table relational databases by pretraining on millions of synthetic tasks. We investigate three intertwined questions about this paradigm. First, can a structurally different synthetic generator PluRel substitute for RDB-PFN's prior? Second, how much does the order in which synthetic data is presented to the PFN affect downstream performance? Third, how much relational reasoning can a PFN acquire from single-table synthetic pretraining alone, before any relational data is introduced? Using PluRel as the sole synthetic data source across all experiments, we find: (i) a progressive single-table curriculum that gradually widens schema complexity from 7 to 17 columns reaches 0.703 average ROC-AUC on the 23-task tabular benchmark using only approximately 13,300 synthetic tables (approximately 45x fewer single-table datasets than RDB-PFN's reported warm-up recipe), while the same data trained all-at-once collapses to 0.541 ROC-AUC; (ii) a relational curriculum trained from scratch on only approximately 5,500 PluRel databases reaches 0.638 average ROC-AUC on the 19-task RelBench/4DBInfer benchmark, recovering 88% of RDB-PFN's reported performance with approximately 220x less relational synthetic data; and (iii) the single-table curriculum model, evaluated directly on the relational benchmark without any relational adaptation, achieves 0.631, nearly matching the dedicated relational pipeline. Together, these findings suggest that curriculum design and synthetic data diversity may matter more for relational PFN pretraining than the specific relational generator or raw synthetic scale alone.

Synthetic textbook data has improved language model pre-training, but prior work largely treats the benefit as a property of generated content or local rewriting style. We study a different factor: whether related content is organized into coherent book-level documents. We contribute both a scalable synthesis pipeline and controlled evidence that this organization matters. The pipeline retrieves source material from a pre-training corpus, clusters it into topical units, plans hierarchical tables of contents, and assembles source-grounded sections into complete books (our Full setting), yielding 686K textbooks (32B tokens) across 15,000+ disciplines. Replacing natural books in a mid-training mix with this corpus improves downstream performance by +1.09 on average. Controlled comparisons then disentangle the relevant design factors. A content-matched Split condition holds generated text and tokens fixed but treats each section as an independent document; Full's +1.02 mean gain isolates document packaging. A length-matched RandomConcat control that joins sections from different books remains below Full, ruling out document length alone. A retrieval-pool-matched Rephrase condition independently rewrites individual retrieved documents under the same audience-by-style scheme, without clustering, TOC planning, or book assembly; Full's +1.17 gain demonstrates the value of structured synthesis. On Llama3-8B, Full likewise outperforms both RandomConcat and Natural Books, supporting book-level organization as a useful axis for synthetic pre-training data design.

Predicting cellular responses to unseen chemical perturbations is challenging due to unknown targets and mechanisms, high-dimensional expression responses, and limited experimental coverage of the large small-molecule design space. We propose PerturbPFN, a PFN-style amortized model for unknown-target perturbation prediction under a hierarchical synthetic structural prior. Instead of directly regressing high-dimensional expression responses, PerturbPFN infers a latent system graph, sparse atomic intervention targets, and intervention strengths, then propagates their effects through an SCM decoder. The model is trained entirely on prior-predictive synthetic episodes generated from biologically motivated graph and expression simulators, enabling structured in-context learning without test-time gradient updates. We evaluate PerturbPFN on both real single-cell perturbation data and synthetic benchmarks, covering effect prediction, target identification, and regulatory structure discovery. Our results show that PerturbPFN offers a complementary trade-off to specialized baselines, achieving competitive perturbation prediction with low inference cost while exposing interpretable intermediate estimates of targets, strengths, and system structure.

Intraoperative 2D/3D registration aligns preoperative CT volumes with intraoperative X-ray or fluoroscopic images and is essential for image-guided interventions. Recent learning-based and differentiable registration methods have shown promising accuracy, especially in patient-specific settings where abundant digitally reconstructed radiographs (DRRs) can be synthesized from the target CT. However, training a separate patient-specific model from scratch for every new patient is computationally inefficient and limits practical deployment. In this work, we propose an efficient patient-specific 2D/3D registration framework based on patient-agnostic synthetic pretraining and spherical similarity learning. The model is first pretrained on synthetic DRRs generated from multiple CT volumes to learn transferable pose-sensitive representations, and is then adapted to a new patient using only a limited number of synthetic projections from the target CT. To improve synthetic-to-real robustness without requiring anatomical labels, we introduce a segmentation-free domain randomization strategy that perturbs image intensity, projection physics, field-of-view, occlusion, and fluoroscopic artifacts. The adapted model provides an initial pose estimate, which is further refined using spherical similarity learning and differentiable Levenberg-Marquardt optimization. Experiments on multiple anatomical datasets evaluate whether patient-agnostic synthetic pretraining can improve the efficiency of patient-specific registration, with particular focus on the trade-off between adaptation cost and registration accuracy. The results demonstrate that patient-agnostic synthetic pretraining can significantly reduce patient-specific training requirements while preserving accurate intraoperative 2D/3D registration.

Millimeter-wave (mmWave) radar enables privacy-preserving and illumination-robust human motion reconstruction, but training generalizable models typically requires costly paired radar-motion recordings. Simulation can scale such supervision, yet even physics-based simulators cannot fully reproduce real-world multipath, clutter, hardware-specific response statistics, or distance-dependent resolution degradation, leaving a sim-to-real gap. We present mmSimPrior, a simulation-pretrained framework that factorizes transferable knowledge into signal, motion, and radar-to-motion mapping priors. To learn transferable signal and motion priors, we pretrain a multimodal radar encoder with a physics-informed domain-randomization curriculum designed to mitigate the sim-to-real gap by approximating real-world propagation- and acquisition-level variations, while a joint-temporal tokenizer learns a discrete prior over plausible human motion. A dual-mode mapping module predicts either motion-code distributions for structurally constrained zero-shot reconstruction or continuous motion parameters for flexible adaptation from limited real data. We further construct a 4.2M-frame, 31K-sequence dataset suite and introduce a No-Overlap Setting that prevents any exact subject-environment-location-motion tuple from appearing in both the adaptation and test sets. Experiments on mmSimPrior-Real and RT-Pose demonstrate consistent gains: with only 24 paired real sequences, mmSimPrior-Reg reduces MPJPE by 24.7-39.0% over the strongest baseline across the three environments, while mmSimPrior-Cls reduces zero-shot MPJPE by 8.5% without fine-tuning.

Federated learning (FL) offers a promising approach to privacy-preserving clinical risk prediction, but its deployment remains limited by restricted data sharing, client heterogeneity, class imbalance, and the lack of realistic tabular electronic health record (EHR) benchmarks. Synthetic data generation may alleviate data scarcity, yet its integration with federated optimisation has received limited systematic study. We propose SynPre-FL, a unified framework combining high-fidelity synthetic EHR generation with synthetic-pretrained FL for robust prediction under non-IID conditions. A latent autoencoder-diffusion model generates privacy-preserving synthetic cohorts, which are used to warm-start federated training. This pretraining is followed by heterogeneity-aware optimisation using class-balanced local objectives, proximal regularisation, and adaptive server aggregation. Post-hoc calibration and federated-safe explainability support reliable and interpretable risk estimates. Experiments show that the synthetic generator preserves univariate, bivariate, and multivariate structure while protecting against membership-inference and reconstruction attacks. The generated data achieve strong downstream utility under TSTR, TRTS, and model-based evaluations. Across federated settings with 5, 10, and 15 heterogeneous clients, SynPre-FL consistently improves robustness and scalability over baseline methods, especially under severe non-IID fragmentation. Calibration improves probability reliability, while SHAP analysis produces stable and clinically coherent feature attributions across federation sizes. SynPre-FL therefore provides a practical and reproducible framework for combining synthetic data with FL to enable privacy-aware, interpretable, and robust clinical prediction from distributed tabular EHR data.

Per-subgroup fairness audits of medical image classifiers face a sample-size problem: minority subgroups in held-out test sets have so few samples that the resulting confidence intervals on per-subgroup performance are wider than the bias the audit is meant to detect. We argue that a demographically-conditioned synthetic generator can do both: mitigate bias on the training side and detect bias on the evaluation side. Working on COVID-19 chest CT classification with an end-to-end fine-tuned Stable Diffusion 2.1 generator, we make two findings. For bias mitigation (training), a demographically-balanced synthetic cohort is most useful as a pretraining prior, not as joint augmentation: with the same fixed data, sequential pretraining followed by fine-tuning substantially outperforms joint augmentation, and the resulting classifier surpasses the full-real baseline at \sim$$100\times real-data efficiency. For bias detection (evaluation), across five synthetic minority cohorts and five classifier seeds, the synthetic estimator reproduces the subgroup ranking of a well-powered real oracle (Spearman $ρ= 1.00$ on MCC and Recall) and gives the more reliable per-cell estimate where the small real test set runs out of samples. The synthetic cohort is therefore most useful in exactly the cells that fairness audits care about, as both a fix for and a measure of subgroup bias.

Time series classification (TSC) is dominated by a two-stage paradigm: train a feature encoder -- either from scratch on the target dataset or via pretraining on large corpora -- and then fit a task-specific classifier on top. While effective, this decoupling optimizes representation learning independently of the classification objective, requires per-dataset training, and prevents the model from exploiting label information during inference. We introduce TimEE, a 4.5M-parameter foundation model for end-to-end TSC via in-context learning. Given a labeled support set and a query time series, TimEE directly outputs a predicted class distribution in a single forward pass with no per-dataset training required. Following the prior-data fitted network (PFN) framework, TimEE is meta-trained exclusively on synthetic TSC tasks, where each task contains time series with distinct class identities arising from structured distributional shifts in the generative process. Despite seeing no real time series during pre-training, TimEE ranks first in ROC AUC (and third on accuracy) on the UCR benchmark among all compared methods, which include both foundation models and supervised deep learning baselines. To our knowledge, TimEE is the first purely synthetic-pretrained model to reach state-of-the-art performance on the UCR benchmark. These results establish end-to-end ICL with synthetic priors as a compelling, largely unexplored direction for TSC, with scaling, prior design, and richer generation mechanisms as natural avenues for improvement. Code is publicly available at http://github.com/automl/timee.

Recent years have witnessed the emergence of multivariate modeling using time series foundation models (TSFMs), which achieve advanced zero-shot generalization. Modern multivariate TSFMs are predominantly pretrained on multivariate synthetic data, which is easier to scale but may fail to capture the complex temporal dynamics and cross-variable relationships present in real-world time series. This raises a key question: Whether and to what extent the leading TSFMs trained with the real-world corpus perform better than those trained with synthetic data? To answer this, we establish the RMISC corpus, a considerably large-scale, high-quality, openly accessible, real-world, and multivariate time series archive that contains around 200 datasets and 142 billion time points across diverse domains. Furthermore, we pretrain four advanced TSFMs on univariate, synthetic multivariate, and real-world multivariate data and evaluate their zero-shot generalization capabilities on standard in-distribution and out-of-distribution benchmarks. Experimental results show that incorporating real-world multivariate data predominantly improves the generalization performance for both univariate and multivariate TSFMs. These results provide a deeper understanding of how real-world multivariate data contributes to the development of stronger TSFMs.

Robustness to domain shift is a key requirement for floor plan generative models to be applicable beyond the single dataset they were trained on, as floor plans vary widely across regions due to distinct architectural cultures, spatial constraints, and construction practices, while acquiring new annotated datasets remains costly and domain-specific. Yet, no prior work has studied this robustness in the context of conditioned floor plan generation. In this paper, we evaluate state-of-the-art models from two fundamentally different generative paradigms across three public datasets (RPLAN, MagicPlan and Swiss Dwellings) and show that they are highly sensitive to domain shift, with up to an order of magnitude performance degradation when transferred across domains. To mitigate this with minimal target-domain supervision, we introduce a procedural method to generate a large-scale synthetic training dataset that enforces strict physical constraints (non-overlapping rooms, valid door placement, graph consistency) while intentionally sacrificing architectural realism through highly irregular spatial arrangements and aggressive geometric perturbation of room shapes. We show that pre-training on this synthetic data considerably improves zero-shot cross-domain performance, outperforming in-domain training on MagicPlan. Furthermore, it provides a highly effective initialization for fine-tuning, accelerating target domain adaptation and outperforming real-world initialization baselines by up to 40% in a low-data regime.

Open web-scale pre-training corpora remain concentrated in English, limiting multilingual LLM development. We introduce MultiSynt/MT, an open synthetic parallel corpus with approximately 4.8 trillion target-language tokens across 36 languages, produced by translating 100 billion high-quality Nemotron-CC tokens with Tower+ and OPUS-MT/HPLT-MT systems. For many medium- and lower-resource European languages, this is the largest openly available pre-training resource. Across five high- and medium-resource languages, reference LLMs trained on MultiSynt/MT reach the final score of HPLT 2.0, a native-data baseline, using roughly 72% fewer pre-training tokens, and outperform it by approximately 15% relative at a matched 100B-token training budget. Our analyses also identify evaluation blind spots: standard multiple-choice benchmarks miss translation-quality differences that a fluency-sensitive LLM-as-judge protocol recovers on the trained LLMs without detecting a deficit relative to its native-data baseline, while Norwegian idiomatic and culturally grounded tasks remain better served by native data. We release the corpus, including row-aligned translations from multiple systems, to support controlled research on multilingual pre-training data and evaluation.

Knowledge injection via synthetic data is crucial for enhancing Large Language Models (LLMs). However, current synthesis methods simply stop at preset token counts or fixed data ratios, lacking awareness of knowledge distribution. This results in some domains being sparse while others are redundant, limiting LLM knowledge boundaries. We revisit knowledge injection from a distribution perspective and hypothesize that an optimal knowledge distribution exists to maximize knowledge boundary expansion. We propose KDoS (Knowledge Distribution-optimized Synthesis), a framework that introduces knowledge density to drive synthesis through a three-stage feedback mechanism, shifting from blind generation to distribution-optimized synthesis. We construct Wikipedia-based synthetic data with varying knowledge distributions and conduct experiments on models from 0.6B to 16B (Qwen, Ling, LLaMA) and data scales from 1B to 5B tokens. Our key findings are: (1) an optimal knowledge distribution consistently maximizes boundary expansion; (2) this distribution is stable across backbones and scales; (3) KDoS outperforms baselines across six knowledge benchmarks. Our work offers a new perspective and practical framework for synthetic data-driven knowledge injection.

Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful tool for molecular structure analysis, and spectral artificial intelligence offers great potential for its rapid and automated interpretation. However, the scarcity of experimental NMR datasets has constrained deep learning in this domain to narrow, task-specific applications that lack broad generalization. Here, we introduce UltraNMR, a large-scale foundation model for NMR that leverages the intrinsic properties of NMR spectra to learn generalizable spectral representations. We collected 158 million paired simulated $^{1}$H and $^{13}$C NMR spectra to train UltraNMR, employing multiple domain-specific pre-training objectives. UltraNMR captures both intra-spectral and inter-spectral dependencies, enabling seamless simulation-to-real adaptation. We demonstrate that adapting UltraNMR to a range of molecular structure analysis tasks on experimental NMR spectra consistently yields state-of-the-art performance and clearly outperforms UltraNMR variants trained directly on downstream data without simulation pre-training. We also construct a large-scale NMR spectral vector library by encoding simulated NMR spectra using UltraNMR, covering 94 million unique molecules and enabling effective structure-aware retrieval. In real-world applications, UltraNMR facilitates the structural elucidation of two previously unknown natural products from Chinese herbal medicines recorded in the Chinese Pharmacopoeia. These results suggest that large-scale simulation pre-training can effectively bridge the simulation-to-real gap, enabling robust and generalizable molecular structure analysis of real-world NMR spectra.

Neural scaling laws describe how model performance improves as a power law in compute, model size, and dataset size. While well-established for large language models, these relationships are emerging for large models in particle physics. As with language, empirical studies show that the performance scales as a power law. However, unlike natural language or image domains, fundamental physics has high-fidelity simulators that produce synthetic data cheaply. This favors scaling regimes where additional data is cheaper than additional parameters, and allows the pretraining dataset itself to be engineered to influence the scaling. For the task of classifying hadronic jets produced in collisions of high-energy particle beams, we show that the scaling behavior can be engineered towards requiring more data rather than larger models by inclusion of pretraining data which is more diverse and better aligned with the downstream classification task.

Foundation models for language and vision are powered by internet-scale data, while structured domains such as tabular prediction are powered by synthetic data. This substitute shifts the challenge from collection to prior design. Such priors already exist for many structured tasks: TabPFN and its successors solve tabular classification with a transformer pretrained on a synthetic Bayesian prior. We make two points. \textbf{First}, reinforcement learning is the conspicuous gap: sampling a synthetic MDP is as feasible as sampling a synthetic tabular dataset, yet no in-context RL work treats prior design as a primary objective. \textbf{Second}, MDPs admit a fixed-size sufficient statistic, independent of the episodes observed and tabular in shape, which makes them directly amenable to the attention-based architectures used for tabular foundation models, with a policy head replacing the supervised target. Together these define the agenda for an RL foundation model. As a proof of concept, we train a Graph Attention Network entirely on synthetic MDPs and show that, with no task-specific tuning, it solves held-out tabular benchmarks in context, both online and offline: online, in far fewer episodes than UCB-VI and tabular Q-learning, and offline, competitively with VI-LCB.

The proliferation of recursive training on synthetic data can alleviate data scarcity but risks model collapse, where repeated training erodes distributional tails and homogenizes outputs. Data selection is widely viewed as a remedy, yet its reliability depends critically on the reference distribution used by the verifier. We show that in low-resource verification regimes, where each verifier observes only a small, fragmented, and biased slice of the target manifold, selection itself becomes biased. This situation naturally arises in low-resource data silos such as healthcare consortia or proprietary financial institutions, where raw data cannot be pooled and local references are inherently incomplete. As a result, selection preferentially retains samples aligned with the local manifold while pruning globally relevant tail modes, turning from a safeguard against collapse into a mechanism that precipitates it. We theoretically prove that such siloed selection accelerates collapse and induces power-law diversity decay. As an initial mitigation, we construct Wasserstein proxy references from multiple silos without sharing raw data. Empirical results confirm that local-reference selection fails on skewed distributions, whereas collaborative proxy references mitigate diversity degradation, suggesting that recursive synthetic-data pipelines require particular caution when real-data coverage is fragmented or scarce.

Self-supervised learning advances audio representation for multimedia analysis. However, prevailing data-centric approaches rely on massive real-world corpora, increasing training costs, curation burdens, and privacy barriers. To address this, we present AudioPG, a procedural synthesis framework eliminating real audio recordings during pre-training. AudioPG trains a Transformer-based masked autoencoder on waveforms generated on-the-fly from basic acoustic primitives and composition rules. The encoder transfers effectively to real audio benchmarks, achieving 90.60% accuracy on ESC-50, 0.546 mAP on FSD50K, 88.17% on UrbanSound8K, and 97.03% on Speech Commands V2. Notably, pre-training completes in under 20 minutes on a single GPU. Latent space analysis reveals physical factors, including fundamental frequency and relative intensity, emerge in orthogonal subspaces, making representations linearly decodable. These results establish procedural synthesis as an efficient, interpretable pre-training signal when large-scale corpora are unavailable. Our code is available at: https://github.com/Freyliu0516/audioPG.

Deep Neural Networks (DNNs) typically require extensive datasets for effective training. In the medical domain, acquiring large-scale data is often challenging due to privacy concerns and the rarity of certain diseases. To address this data scarcity, we investigate the efficacy of training DNN models using synthetic data, generated based on domain-specific medical knowledge. Specifically, we develop a knowledge-driven Gaussian-composition synthesis algorithm for single-lead II ECGs, in which each heartbeat is represented by Gaussian-shaped P, Q, R, S, and T wave components. Using this simulator, we generate synthetic data for four abnormal electrocardiogram (ECG) classes: atrial fibrillation (AF), atrial flutter (AFLT), premature ventricular complex (PVC), and Wolff-Parkinson-White Syndrome (WPW). We evaluate the utility of this synthetic data by conducting abnormal ECG classification using ten different DNN architectures. Our results demonstrate that synthetic-to-real training improves classification performance for three of the four target abnormalities, with the largest architecture-averaged gain of $33.2\%$ observed for AFLT. Further analysis reveals that the performance enhancement from synthetic data is more pronounced with smaller real-world datasets. These findings suggest that domain-knowledge-based synthetic ECGs can serve as a useful pre-training resource, particularly in scenarios where real-world data are limited or difficult to obtain.

Pretrained time series foundation models (TSFMs) have enabled zero-shot forecasting on unseen target series. However, existing TSFMs often incur high computational cost and provide limited support for diverse variable types, often failing to account for covariates that exogenously influence target variability. To address these challenges, we propose CITRAS-FM, a tiny 7M-parameter TSFM that supports univariate, multivariate, and covariate-informed zero-shot forecasting with real-time CPU inference. Built on a patch-based, decoder-only Transformer, CITRAS-FM introduces Shifted Attention into the cross-variate module to effectively exploit known covariates accessible throughout the forecast horizon. Moreover, to enable covariate-aware pretraining despite the scarcity of covariate-rich corpora, we propose CovSynth, which synthesizes realistic covariates from decomposed components of target series. Experiments on fev-bench, spanning 100 tasks across various settings, demonstrate that CITRAS-FM achieves state-of-the-art zero-shot accuracy among sub-10M TSFMs while delivering sub-0.1-second CPU inference, offering a strong balance between forecasting accuracy and real-time deployability.

Pre-training on raw code teaches syntax but provides sparse signal for diverse real-world task formats. While synthetic data has proven transformative for language models, code remains largely unexplored beyond limited quality improvements. We present CodeAlchemy, a synthetic data generation framework that transforms publicly sourced code into semantically-rich training data through 5 strategies: CodeEnhance (quality-aware rewriting), CodeQA (template-based problems), CodeDev (developer tasks), CodeDialogue (multi-turn conversations), and CodeTrace (execution traces). We process 3 corpora across 15 languages to generate 500B+ tokens of synthetic data plus 350B reasoning tokens, orders of magnitude more than prior efforts. CodeTrace instruments and executes 1.3M+ files across 14 languages and 5K libraries, capturing control flow, state tracking, and library knowledge. We introduce DevEval (developer tasks) and TraceEval (execution prediction) benchmarks; frontier models like Claude Sonnet 4.5 achieve only 5.6% exact match on TraceEval, revealing critical gaps in semantic understanding. Our 3B models achieve 83.5% on HumanEval, 63.2% on MBPP, 8.09% win rate on DevEval, and 15.36 ROUGE-2 on TraceEval, outperforming frontier models 10x the size including 27B Gemma-3 and 32B Granite-4.0.

Bayesian optimization (BO) is a central tool for sample-efficient design, and latent-space Bayesian optimization (LSBO) extends it to structured objects such as molecules and proteins. In parallel, tabular foundation models such as TabPFN and TabICL now achieve state-of-the-art regression performance and are increasingly used as BO surrogates. Because their Bayesian behavior is induced by large synthetic pretraining collections, the composition of this pretraining distribution is crucial. LSBO creates a distinctive mismatch: the induced map from latent code to objective value differs markedly from the regression tasks used to train current in-context models. We address this mismatch by complementing the pretraining stage of tabular foundation model surrogates with synthetic optimization tasks defined on the latent space of a molecular VAE. The continued-pretraining objective features a regularizer that anchors the model to the original checkpoint, preserving its broad regression prior while avoiding overspecialization to the adaptation tasks. On held-out molecular optimization benchmarks, the resulting model achieves strong performance, supporting the relevance of LSBO-specific adaptation for in-context surrogates.

Standard flow and diffusion pre-training matches the distribution of available data (e.g., molecules), which often covers only a small fraction of the valid design space. In generative discovery, however, one aims to sample valid new-to-nature designs, assigned negligible probability under, and thus inaccessible to, standard models fitted to the observed data. To overcome this limitation, we depart from data distribution matching and view a generative model through its generable set: the region it covers with non-negligible probability. This allows to introduce a new learning principle for out-of-distribution flow modeling: enlarging a model's generable set to increase coverage of the valid design space. We propose Active Flow Expansion (ActFlow), a continued pre-training method that employs verifier feedback to expand a pre-trained model over new valid regions by iteratively adapting to synthetic data generated through active exploration in the learned flow representation. Theoretically, we establish to our knowledge first-of-their-kind statistical learning guarantees for out-of-distribution flow modeling, analyzing generable set expansion as a local-to-global reachability process over a learned representation. Empirically, we assess ActFlow with suitable out-of-distribution generative modeling metrics across small organic molecules, mid-sized drug-like molecules, therapeutic peptides, and protein sequence design tasks. Results show that ActFlow expands valid coverage far beyond the region modeled by the initial pre-trained model, significantly outperforming widely adopted synthetic flow pre-training methods.

Choosing the wrong synthetic generator for time-series foundation model pretraining is costly: under identical training budgets, the best and worst generators produce up to a $2\times$ gap in forecasting error, yet the field has no principled way to make this choice. The problem is compounded by the fact that generator rankings are not stable across architectures: across 11 generator families evaluated on Chronos-T5-Mini and Moirai-Small trained from scratch, we find that which generators are useful depends on the model architecture. Rather than solving the generator selection problem, we sidestep it: a simple equal-weight mixture of all generators matches or beats the best individual generator for both architectures, and composing this mixture with real data yields the strongest pretraining corpora overall. Synthetic pretraining is therefore a corpus composition problem, not a generator selection problem, and composition choices should be validated per model family rather than assumed to transfer.

Multivariate time-series forecasting requires models to reason over temporal dynamics, cross-variable dependencies, and historical input-output correspondences. Recent Prior-Data Fitted Networks (PFNs) suggest that synthetic tasks can be useful for learning transferable inference behavior. However, directly transferring this paradigm to time-series forecasting remains difficult, since temporal order, dynamic lags, and recurring historical patterns are not naturally captured by ordinary tabular priors. Motivated by this observation, we propose Trio, a sample-aware time-series forecasting architecture based on Temporal-Spatial-Sample attention. Temporal attention captures within-window dynamics, spatial attention models inter-variable dependencies, and sample attention retrieves relevant historical lookback-future pairs to guide the current prediction. Rather than claiming a fully general PFN-style forecaster, our goal is to study how historical input-output examples can be explicitly organized and reused within a forecasting model. We further introduce a Time-Series Structural Causal Model (TS-SCM) generator to create structured synthetic forecasting tasks with dynamic lags, cross-variable interactions, noise, feedback, and distributional drift. Experiments on synthetic, industrial, and public benchmarks show that the proposed architecture improves forecasting performance. Exploratory zero-shot experiments further suggest that TS-SCM-generated tasks may provide useful structural priors, while fully general PFN-style time-series forecasting remains an open problem.

Multiple Instance Learning (MIL) addresses problems where supervision is available at the level of bags of instances and has been successfully applied in fields ranging from computational pathology to satellite imagery. Nevertheless, existing algorithms struggle in the low-label regime that characterizes many real-world applications. Flexible models overfit and rigid ones fail to adapt to the task at hand. We show that pretraining an in-context learner with a Perceiver-style architecture on synthetic data yields a model that can solve new tasks from a handful of labeled bags. At inference time, classification happens in a single forward pass and requires no gradient updates. We propose and investigate different synthetic data generators for bag-structured data and find that they capture complementary inductive biases. A model pretrained on a mixture of these generators inherits their per-task strengths and achieves the best average performance across twelve MIL benchmarks, outperforming supervised baselines that require task-specific training.

Relational Foundation Models (RFMs) promise a single pre-trained predictor that, given any relational database, returns predictions in one forward pass via relational in-context learning (ICL). Yet a substantial gap separates open RFMs from their commercial counterparts, and the origin of this gap has not been systematically understood. We dissect a representative framework, the Relational Transformer (RT), from two perspectives. Model side: we show that RT performs relation-level ICL, and a kernel regression view shows it fails when sparse label-cell coverage yields an underdetermined regression. Data side: we ablate RT's pre-training source and find that existing synthetic-only pre-training and in-distribution pre-training drive the same architecture into different regimes, lazy vs. feature-learning. Probing this gap reveals that the missing ingredient is a support-identifiable relational latent in the label-generation process. These two diagnoses translate into (1) a dual-stage ICL architecture that combines the relational backbone with a batch-level ICL layer lifted from a pre-trained tabular foundation model to overcome relation-level label scarcity, and (2) a homophily-aware synthetic plus continual real-data pre-training mixture, augmented with a prototype-based regularization. These choices define OpenRFM, a simple yet effective RFM that improves average task performance by approximately 30% over the RT backbone and surpasses the commercial model KumoRFMv1 on a large set of evaluation tasks.

High-quality pretraining data is a central ingredient in modern language models, but German-language resources remain far less developed than their English counterparts: they are often smaller, less carefully curated, weakly documented, and rarely validated through controlled training experiments. We introduce KletterMix, a high-quality German corpus for language model pretraining and annealing, designed as a reusable dataset artifact for the natural language processing and modeling community. KletterMix is built by translating a state-of-the-art English pretraining corpus into German while preserving document boundaries, metadata, source structure, and topical diversity. This construction yields a German corpus with the scale and diversity of a modern pretraining dataset, while enabling direct comparison to its English source. We document the dataset through a broad set of corpus-level analyses, including translation quality, document length distributions, topic coverage, source composition, and geographic metadata. Using COMETKiwi, we show that the translated documents achieve strong quality across diverse domains, suggesting that careful translation can preserve much of the semantic and stylistic richness of the original corpus. Beyond dataset construction, we evaluate KletterMix as training data. Through controlled pretraining and annealing ablations against established German corpora, we show that models trained on KletterMix achieve measurable improvements on German-language downstream evaluations. These results demonstrate that carefully curated translated data can substantially strengthen the German pretraining data ecosystem.

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.