相关论文: EquiTabPFN: A Target-Permutation Equivariant Prior…

As Artificial Intelligence (AI) integrates deeper into diverse sectors, the quest for powerful models has intensified. While significant strides have been made in boosting model capabilities and their applicability across domains, a glaring…

We explain equivariant neural networks, a notion underlying breakthroughs in machine learning from deep convolutional neural networks for computer vision to AlphaFold 2 for protein structure prediction, without assuming knowledge of…

We consider the prediction of the Hamiltonian matrix, which finds use in quantum chemistry and condensed matter physics. Efficiency and equivariance are two important, but conflicting factors. In this work, we propose a SE(3)-equivariant…

Graph diffusion models, dominant in graph generative modeling, remain underexplored for graph-to-graph translation tasks like chemical reaction prediction. We demonstrate that standard permutation equivariant denoisers face fundamental…

While Transformer architectures have show remarkable success, they are bound to the computation of all pairwise interactions of input element and thus suffer from limited scalability. Recent work has been successful by avoiding the…

Incorporating group symmetries via equivariance into neural networks has emerged as a robust approach for overcoming the efficiency and data demands of modern deep learning. While most existing approaches, such as group convolutions and…

Prior-data fitted networks (PFNs) have recently emerged as a powerful approach for Bayesian prediction tasks, approximating the posterior predictive distribution (PPD) through in-context learning. Despite their strong empirical performance…

The crucial role played by the underlying symmetries of high energy physics and lattice field theories calls for the implementation of such symmetries in the neural network architectures that are applied to the physical system under…

This paper presents an automatic network adaptation method that finds a ConvNet structure well-suited to a given target task, e.g., image classification, for efficiency as well as accuracy in transfer learning. We call the concept…

Foundation models are transforming machine learning across many modalities, with in-context learning replacing classical model training. Recent work on tabular data hints at a similar opportunity to build foundation models for…

Accurate image registration is essential in many medical imaging applications, yet most deep registration networks provide little indication of when or where their predictions are unreliable. Existing uncertainty estimation approaches, such…

Data organized in tabular format is ubiquitous in real-world applications, and users often craft tables with biased feature definitions and flexibly set prediction targets of their interests. Thus, a rapid development of a robust,…

Jet tagging techniques that make use of deep learning show great potential for improving physics analyses at colliders. One such method is the Energy Flow Network (EFN) - a recently introduced neural network architecture that represents…

Tabular Foundation Models have recently established the state of the art in supervised tabular learning, by leveraging pretraining to learn generalizable representations of numerical and categorical structured data. However, they lack…

Few-shot image generation aims to effectively adapt a source generative model to a target domain using very few training images. Most existing approaches introduce consistency constraints-typically through instance-level or…

Directed evolution as a widely-used engineering strategy faces obstacles in finding desired mutants from the massive size of candidate modifications. While deep learning methods learn protein contexts to establish feasible searching space,…

We propose a Transformer neural network architecture specifically designed for lattice QCD, focusing on preserving the fundamental symmetries required in lattice gauge theory. The proposed architecture is gauge covariant/equivariant,…

We have described a novel approach for training tabular data using the TabTransformer model with self-supervised learning. Traditional machine learning models for tabular data, such as GBDT are being widely used though our paper examines…

Bayesian inference offers a robust framework for updating prior beliefs based on new data using Bayes' theorem, but exact inference is often computationally infeasible, necessitating approximate methods. Though widely used, these methods…

The set of functions parameterized by a linear fully-connected neural network is a determinantal variety. We investigate the subvariety of functions that are equivariant or invariant under the action of a permutation group. Examples of such…