While tabular classification has traditionally relied on from-scratch training, a recent breakthrough called prior-data fitted networks (PFNs) challenges this approach. Similar to large language models, PFNs make use of pretraining and in-context learning to achieve strong performance on new tasks in a single forward pass. However, current PFNs have limitations that prohibit their widespread adoption. Notably, TabPFN achieves very strong performance on small tabular datasets but is not designed to make predictions for datasets of size larger than 1000. In this work, we overcome these limitations and substantially improve the performance of PFNs via context optimization. We introduce TuneTables, a parameter-efficient fine-tuning strategy for PFNs that compresses large datasets into a smaller learned context. We conduct extensive experiments on nineteen algorithms over 98 datasets and find that TuneTables achieves the best performance on average, outperforming boosted trees such as CatBoost, while optimizing fewer than 5\% of TabPFN's parameters. Furthermore, we show that TuneTables can be used as an interpretability tool and can even be used to mitigate biases by optimizing a fairness objective.

Prior-data fitted networks (PFNs) are a promising alternative to time-consuming Gaussian process (GP) inference for creating fast surrogates of physical systems. PFN reduces the computational burden of GP-training by replacing Bayesian inference in GP with a single forward pass of a learned prediction model. We introduce Decoupled-V alue Attention (DV A)- motivated by the GP property that the function space is fully characterized by the kernel over inputs and the predictive mean is a weighted sum of training targets. DV A computes similarities from inputs only and propagates labels solely through values. Thus, the proposed DV A mirrors the GP update while remaining kernel-free. We demonstrate that PFNs are backbone architecture invariant and the crucial factor for scaling PFNs is the attention rule rather than the architecture itself. Specifically, our results demonstrate that (a) localized attention consistently reduces out-of-sample validation loss in PFNs across different dimensional settings, with validation loss reduced by more than 50% in five-and ten-dimensional cases, and (b) the role of attention is more decisive than the choice of backbone architecture, showing that CNN, RNN and LSTM-based PFNs can perform at par with their Transformer-based counterparts. Bayesian inference provides a powerful framework for reasoning under uncertainty, with methods like Gaussian processes (GPs) offering well-calibrated predictions and principled uncertainty estimates (Williams & Rasmussen, 2006). However, the practical application of these methods is often hindered by the heavy computational burden of learning kernel hyperparameters. For example, exact GP inference scales cubically with the number of data points, making its deployment infeasible for large datasets or problems requiring repeated training. Consider a physical system where a surrogate GP is chosen due to its uncertainty estimates and differentiable closed-form expressions. However, the underlying input dataset and configuration changes frequently, and the surrogate is supposed to work for these new, previously unseen variations. In such conditions, GP needs to be trained repeatedly, incurring significant computing cost, each time the dataset changes.

Prior-data fitted networks (PFNs) have recently been proposed as a promising way to train tabular foundation models. PFNs are transformers that are pre-trained on synthetic data generated from a prespecified prior distribution and that enable Bayesian inference through in-context learning. In this paper, we introduce CausalFM, a comprehensive framework for training PFN-based foundation models in various causal inference settings. First, we formalize the construction of Bayesian priors for causal inference based on structural causal models (SCMs) in a principled way and derive necessary criteria for the validity of such priors. Building on this, we propose a novel family of prior distributions using causality-inspired Bayesian neural networks that enable CausalFM to perform Bayesian causal inference in various settings, including for back-door, front-door, and instrumental variable adjustment. Finally, we instantiate CausalFM and explicitly train models to perform in-context learning in these settings. We show that CausalFM achieves competitive in-context learning performance even when compared to baselines that are specifically trained for the task at hand. In sum, our framework can be used as a general recipe to train foundation models for various causal inference settings. In contrast to the current state-of-the-art in causal inference, CausalFM offers a novel paradigm with the potential to fundamentally change how practitioners perform causal inference in medicine, economics, and other disciplines.

Combined Algorithm Selection and Hyperparameter Optimization (CASH) has been fundamental to traditional AutoML systems. However, with the advancements of pre-trained models, modern ML workflows go beyond hyperparameter optimization and often require fine-tuning, ensembling, and other adaptation techniques. While the core challenge of identifying the best-performing model for a downstream task remains, the increasing heterogeneity of ML pipelines demands novel AutoML approaches. This work extends the CASH framework to select and adapt modern ML pipelines. We propose PS-PFN to efficiently explore and exploit adapting ML pipelines by extending Posterior Sampling (PS) to the max k -armed bandit problem setup. PS-PFN leverages prior-data fitted networks (PFNs) to efficiently estimate the posterior distribution of the maximal value via in-context learning. We show how to extend this method to consider varying costs of pulling arms and to use different PFNs to model reward distributions individually per arm. Experimental results on one novel and two existing standard benchmark tasks demonstrate the superior performance of PS-PFN compared to other bandit and AutoML strategies.

Clustering is a core task in machine learning with wide-ranging applications in data mining and pattern recognition. However, its unsupervised nature makes it inherently challenging. Many existing clustering algorithms suffer from critical limitations: they often require careful parameter tuning, exhibit high computational complexity, lack interpretability, or yield suboptimal accuracy, especially when applied to large-scale datasets. In this paper, we introduce a novel clustering approach based on meta-learning. Our approach eliminates the need for parameter optimization while achieving accuracy that outperforms state-of-the-art clustering techniques. The proposed technique leverages a few pre-clustered samples to guide the clustering process for the entire dataset in a single forward pass. Specifically, we employ a pre-trained Prior-Data Fitted Transformer Network (PFN) to perform clustering. The algorithm computes attention between the pre-clustered samples and the unclustered samples, allowing it to infer cluster assignments for the entire dataset based on the learned relation. We theoretically and empirically demonstrate that, given just a few pre-clustered examples, the model can generalize to accurately cluster the rest of the dataset. Experiments on challenging benchmark datasets show that our approach can successfully cluster well-separated data without any pre-clustered samples, and significantly improves performance when a few clustered samples are provided. We show that our approach is superior to the state-of-the-art techniques. These results highlight the effectiveness and scalability of our approach, positioning it as a promising alternative to existing clustering techniques.

Training neural networks on randomly generated artificial datasets yields Bayesian models that capture the prior defined by the dataset-generating distribution. Prior-data Fitted Networks (PFNs) are a class of methods designed to leverage this insight. In an era of rapidly increasing computational resources for pre-training and a near stagnation in the generation of new real-world data in many applications, PFNs are poised to play a more important role across a wide range of applications. They enable the efficient allocation of pre-training compute to low-data scenarios. Originally applied to small Bayesian modeling tasks, the field of PFNs has significantly expanded to address more complex domains and larger datasets. This position paper argues that PFNs and other amortized inference approaches represent the future of Bayesian inference, leveraging amortized learning to tackle data-scarce problems. We thus believe they are a fruitful area of research. In this position paper, we explore their potential and directions to address their current limitations.

While tabular classification has traditionally relied on from-scratch training, a recent breakthrough called prior-data fitted networks (PFNs) challenges this approach. Similar to large language models, PFNs make use of pretraining and in-context learning to achieve strong performance on new tasks in a single forward pass. However, current PFNs have limitations that prohibit their widespread adoption. Notably, TabPFN achieves very strong performance on small tabular datasets but is not designed to make predictions for datasets of size larger than 1000. In this work, we overcome these limitations and substantially improve the performance of PFNs via context optimization.

Prior-data fitted networks (PFNs) have emerged as promising foundation models for prediction from tabular data sets, achieving state-of-the-art performance on small to moderate data sizes without tuning. While PFNs are motivated by Bayesian ideas, they do not provide any uncertainty quantification for predictive means, quantiles, or similar quantities. We propose a principled and efficient sampling procedure to construct Bayesian posteriors for such estimates based on Martingale posteriors, and prove its convergence. Several simulated and real-world data examples showcase the uncertainty quantification of our method in inference applications.

While Bayesian inference provides a principled framework for reasoning under uncertainty, its widespread adoption is limited by the intractability of exact posterior computation, necessitating the use of approximate inference. However, existing methods are often computationally expensive, or demand costly retraining when priors change, limiting their utility, particularly in sequential inference problems such as real-time sensor fusion. To address these challenges, we introduce the Distribution Transformer -- a novel architecture that can learn arbitrary distribution-to-distribution mappings. Our method can be trained to map a prior to the corresponding posterior, conditioned on some dataset -- thus performing approximate Bayesian inference. Our novel architecture represents a prior distribution as a (universally-approximating) Gaussian Mixture Model (GMM), and transforms it into a GMM representation of the posterior. The components of the GMM attend to each other via self-attention, and to the datapoints via cross-attention. We demonstrate that Distribution Transformers both maintain flexibility to vary the prior, and significantly reduces computation times-from minutes to milliseconds-while achieving log-likelihood performance on par with or superior to existing approximate inference methods across tasks such as sequential inference, quantum system parameter inference, and Gaussian Process predictive posterior inference with hyperpriors.

Facial wrinkle detection plays a crucial role in cosmetic dermatology. Precise manual segmentation of facial wrinkles is challenging and time-consuming, with inherent subjectivity leading to inconsistent results among graders. To address this issue, we propose two solutions. First, we build and release the first public facial wrinkle dataset, 'FFHQ-Wrinkle', an extension of the NVIDIA FFHQ dataset. It includes 1,000 images with human labels and 50,000 images with automatically generated weak labels. This dataset could serve as a foundation for the research community to develop advanced wrinkle detection algorithms. Second, we introduce a simple training strategy utilizing texture maps, applicable to various segmentation models, to detect wrinkles across the face. Our two-stage training strategy first pretrain models on a large dataset with weak labels (N=50k), or masked texture maps generated through computer vision techniques, without human intervention. We then finetune the models using human-labeled data (N=1k), which consists of manually labeled wrinkle masks. The network takes as input a combination of RGB and masked texture map of the image, comprising four channels, in finetuning. We effectively combine labels from multiple annotators to minimize subjectivity in manual labeling. Our strategies demonstrate improved segmentation performance in facial wrinkle segmentation both quantitatively and visually compared to existing pretraining methods. The dataset is available at https://github.com/labhai/ffhq-wrinkle-dataset.