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While (message-passing) graph neural networks have clear limitations in approximating permutation-equivariant functions over graphs or general relational data, more expressive, higher-order graph neural networks do not scale to large…

Machine Learning · Computer Science 2022-08-31 Christopher Morris , Gaurav Rattan , Sandra Kiefer , Siamak Ravanbakhsh

Equivariance to symmetries has proven to be a powerful inductive bias in deep learning research. Recent works on mesh processing have concentrated on various kinds of natural symmetries, including translations, rotations, scaling, node…

Machine Learning · Computer Science 2022-08-30 Sourya Basu , Jose Gallego-Posada , Francesco Viganò , James Rowbottom , Taco Cohen

Probabilistic time series forecasting is crucial in many application domains such as retail, ecommerce, finance, or biology. With the increasing availability of large volumes of data, a number of neural architectures have been proposed for…

Machine Learning · Computer Science 2021-12-15 Olivier Sprangers , Sebastian Schelter , Maarten de Rijke

Recent progress in foundation models has enabled strong zero-shot performance for time series forecasting. In this work, we show that such capabilities can also emerge from tabular foundation models. We introduce TabPFN-TS, a simple method…

Machine Learning · Computer Science 2026-01-28 Shi Bin Hoo , Samuel Müller , David Salinas , Frank Hutter

The success of self-supervised learning in computer vision and natural language processing has motivated pretraining methods on tabular data. However, most existing tabular self-supervised learning models fail to leverage information across…

Machine Learning · Computer Science 2023-05-11 Bingzhao Zhu , Xingjian Shi , Nick Erickson , Mu Li , George Karypis , Mahsa Shoaran

Anomaly detection for tabular data has been a long-standing unsupervised learning problem that remains a major challenge for current deep learning models. Recently, in-context learning has emerged as a new paradigm that has shifted efforts…

Machine Learning · Computer Science 2026-03-17 Patryk Marszałek , Tomasz Kuśmierczyk , Marek Śmieja

In addressing the challenge of Crystal Structure Prediction (CSP), symmetry-aware deep learning models, particularly diffusion models, have been extensively studied, which treat CSP as a conditional generation task. However, ensuring…

Materials Science · Physics 2025-12-09 Peijia Lin , Pin Chen , Rui Jiao , Qing Mo , Jianhuan Cen , Wenbing Huang , Yang Liu , Dan Huang , Yutong Lu

Task-agnostic tabular foundation models such as TabPFN have achieved impressive performance on tabular learning tasks, yet the origins of their inductive biases remain poorly understood. In this work, we study TabPFN through the lens of…

Machine Learning · Computer Science 2025-11-25 Jianqiao Zheng , Cameron Gordon , Yiping Ji , Hemanth Saratchandran , Simon Lucey

While most ML models expect independent and identically distributed data, this assumption is often violated in real-world scenarios due to distribution shifts, resulting in the degradation of machine learning model performance. Until now,…

Machine Learning · Computer Science 2024-11-19 Kai Helli , David Schnurr , Noah Hollmann , Samuel Müller , Frank Hutter

Equivariant neural networks are designed to respect symmetries through their architecture, boosting generalization and sample efficiency when those symmetries are present in the data distribution. Real-world data, however, often departs…

Machine Learning · Computer Science 2025-12-12 Andrei Manolache , Luiz F. O. Chamon , Mathias Niepert

This paper presents a novel application of the Tabular Prior-Data Fitted Network (TabPFN) - a transformer-based foundation model for tabular data - to geotechnical site characterization problems defined in the GEOAI benchmark…

Machine Learning · Computer Science 2026-03-04 Taiga Saito , Yu Otake , Stephen Wu

Vision-language-action policies learn manipulation skills across tasks, environments and embodiments through large-scale pre-training. However, their ability to generalize to novel robot configurations remains limited. Most approaches…

Robotics · Computer Science 2025-09-19 Anzhe Chen , Yifei Yang , Zhenjie Zhu , Kechun Xu , Zhongxiang Zhou , Rong Xiong , Yue Wang

Equivariance has been a long-standing concern in various fields ranging from computer vision to physical modeling. Most previous methods struggle with generality, simplicity, and expressiveness -- some are designed ad hoc for specific data…

Computer Vision and Pattern Recognition · Computer Science 2022-03-29 Shitong Luo , Jiahan Li , Jiaqi Guan , Yufeng Su , Chaoran Cheng , Jian Peng , Jianzhu Ma

Advances in deep generative modelling have not translated well to tabular data. We argue that this is caused by a mismatch in structure between popular generative models and discriminative models of tabular data. We thus devise a technique…

Machine Learning · Computer Science 2024-06-11 Junwei Ma , Apoorv Dankar , George Stein , Guangwei Yu , Anthony Caterini

Equivariant neural networks incorporate symmetries through group actions, embedding them as an inductive bias to improve performance. Existing methods learn an equivariant action on the latent space, or design architectures that are…

Machine Learning · Computer Science 2026-05-19 Riccardo Ali , Pietro Liò , Jamie Vicary

Foundation models for tabular data, like TabPFN, achieve strong performance on small datasets when pre-trained solely on synthetic data. We show that this performance can be significantly boosted by a targeted continued pre-training phase.…

Machine Learning · Computer Science 2025-07-08 Anurag Garg , Muhammad Ali , Noah Hollmann , Lennart Purucker , Samuel Müller , Frank Hutter

Prior-data fitted networks (PFNs) were recently proposed as a new paradigm for machine learning. Instead of training the network to an observed training set, a fixed model is pre-trained offline on small, simulated training sets from a…

Machine Learning · Statistics 2023-05-19 Thomas Nagler

Capsule networks are constrained by the parameter-expensive nature of their layers, and the general lack of provable equivariance guarantees. We present a variation of capsule networks that aims to remedy this. We identify that learning all…

Machine Learning · Computer Science 2019-09-27 Sairaam Venkatraman , S. Balasubramanian , R. Raghunatha Sarma

Current generative models, such as autoregressive and diffusion approaches, decompose high-dimensional data distribution learning into a series of simpler subtasks. However, inherent conflicts arise during the joint optimization of these…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Ruixiao Dong , Mengde Xu , Zigang Geng , Li Li , Han Hu , Shuyang Gu

Revealing novel insights from the relationship between molecular measurements and pathology remains a very impactful application of machine learning in biomedicine. Data in this domain typically contain only a few observations but thousands…

Machine Learning · Computer Science 2026-03-31 Christopher Kolberg , Jules Kreuer , Jonas Huurdeman , Sofiane Ouaari , Katharina Eggensperger , Nico Pfeifer