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Pre-training on graph neural networks (GNNs) aims to learn transferable knowledge for downstream tasks with unlabeled data, and it has recently become an active research area. The success of graph pre-training models is often attributed to…

Machine Learning · Computer Science 2023-11-22 Jiarong Xu , Renhong Huang , Xin Jiang , Yuxuan Cao , Carl Yang , Chunping Wang , Yang Yang

Large-scale pre-trained models (PTMs) such as BERT and GPT have recently achieved great success and become a milestone in the field of artificial intelligence (AI). Owing to sophisticated pre-training objectives and huge model parameters,…

Two of the most popular modelling paradigms in computer vision are feed-forward neural networks (FFNs) and probabilistic graphical models (GMs). Various connections between the two have been studied in recent works, such as e.g. expressing…

Machine Learning · Statistics 2017-10-31 Dmitrij Schlesinger

With the emergence of large-scale pre-trained neural networks, methods to adapt such "foundation" models to data-limited downstream tasks have become a necessity. Fine-tuning, preference optimization, and transfer learning have all been…

Machine Learning · Statistics 2025-07-09 Javan Tahir , Surya Ganguli , Grant M. Rotskoff

Large Language Models (LLMs) are pretrained on massive datasets and later instruction-tuned via supervised fine-tuning (SFT) or reinforcement learning (RL). Best practices emphasize large, diverse pretraining data, whereas post-training…

Machine Learning · Computer Science 2026-03-03 Adel Javanmard , Baharan Mirzasoleiman , Vahab Mirrokni

Machine Learning systems are increasingly prevalent across healthcare, law enforcement, and finance but often operate on historical data, which may carry biases against certain demographic groups. Causal and counterfactual fairness provides…

Machine Learning · Computer Science 2024-07-09 Jake Robertson , Noah Hollmann , Noor Awad , Frank Hutter

Foundation models based on prior-data fitted networks (PFNs) have shown strong empirical performance in causal inference by framing the task as an in-context learning problem.However, it is unclear whether PFN-based causal estimators…

Machine Learning · Computer Science 2026-03-13 Valentyn Melnychuk , Vahid Balazadeh , Stefan Feuerriegel , Rahul G. Krishnan

TabPFN [Hollmann et al., 2023], a Transformer model pretrained to perform in-context learning on fresh tabular classification problems, was presented at the last ICLR conference. To better understand its behavior, we treat it as a black-box…

Machine Learning · Computer Science 2025-02-14 Calvin McCarter

Estimating how uncertain an AI system is in its predictions is important to improve the safety of such systems. Uncertainty in predictive can result from uncertainty in model parameters, irreducible data uncertainty and uncertainty due to…

Machine Learning · Statistics 2018-12-03 Andrey Malinin , Mark Gales

We consider small-data, large-scale decision problems in which a firm must make many operational decisions simultaneously (e.g., across a large product portfolio) while observing only a few, potentially noisy, data points per instance.…

Machine Learning · Computer Science 2026-02-04 Zishi Zhang , Jinhui Han , Ming Hu , Yijie Peng

To develop a preliminary understanding towards Graph Foundation Models, we study the extent to which pretrained Graph Neural Networks can be applied across datasets, an effort requiring to be agnostic to dataset-specific features and their…

Federated learning is renowned for its efficacy in distributed model training, ensuring that users, called clients, retain data privacy by not disclosing their data to the central server that orchestrates collaborations. Most previous work…

Machine Learning · Computer Science 2024-10-30 Pouya M. Ghari , Yanning Shen

Traditional methods for tabular classification usually rely on supervised learning from scratch, which requires extensive training data to determine model parameters. However, a novel approach called Prior-Data Fitted Networks (TabPFN) has…

Machine Learning · Computer Science 2024-06-12 Quangao Liu , Wei Yang , Chen Liang , Longlong Pang , Zhuozhang Zou

The need for function estimation in label-limited settings is common in the natural sciences. At the same time, prior knowledge of function values is often available in these domains. For example, data-free biophysics-based models can be…

Machine Learning · Computer Science 2022-10-17 Hunter Nisonoff , Yixin Wang , Jennifer Listgarten

Pre-training has exhibited notable benefits to downstream tasks by boosting accuracy and speeding up convergence, but the exact reasons for these benefits still remain unclear. To this end, we propose to quantitatively and explicitly…

Machine Learning · Computer Science 2024-10-14 Xin Jiang , Xu Cheng , Zechao Li

Deep Bayesian neural networks (BNNs) are a powerful tool, though computationally demanding, to perform parameter estimation while jointly estimating uncertainty around predictions. BNNs are typically implemented using arbitrary…

Machine Learning · Computer Science 2020-05-12 Daniele Silvestro , Tobias Andermann

Function-space priors in Bayesian Neural Networks (BNNs) provide a more intuitive approach to embedding beliefs directly into the model's output, thereby enhancing regularization, uncertainty quantification, and risk-aware decision-making.…

Machine Learning · Computer Science 2025-08-13 Marcin Sendera , Amin Sorkhei , Tomasz Kuśmierczyk

Simulation-Grounded Neural Networks (SGNNs) are predictive models trained entirely on synthetic data from mechanistic simulations. They have achieved state-of-the-art performance in domains where real-world labels are limited or unobserved,…

Machine Learning · Computer Science 2025-10-03 Carson Dudley , Marisa Eisenberg

Pre-training has been a popular learning paradigm in deep learning era, especially in annotation-insufficient scenario. Better ImageNet pre-trained models have been demonstrated, from the perspective of architecture, by previous research to…

Computer Vision and Pattern Recognition · Computer Science 2023-08-21 Andong Deng , Xingjian Li , Di Hu , Tianyang Wang , Haoyi Xiong , Chengzhong Xu

Pretrained Foundation Models (PFMs) are regarded as the foundation for various downstream tasks with different data modalities. A PFM (e.g., BERT, ChatGPT, and GPT-4) is trained on large-scale data which provides a reasonable parameter…