Machine Learning

Equivariant Deep Weight Space Alignment

Permutation symmetries of deep networks make simple operations like model averaging and similarity estimation challenging. In many cases, aligning the weights of the networks, i.e., finding optimal permutations between their weights, is necessary. …

Future Directions in Foundations of Graph Machine Learning

Machine learning on graphs, especially using graph neural networks (GNNs), has seen a surge in interest due to the wide availability of graph data across a broad spectrum of disciplines, from life to social and engineering sciences. Despite their …

Improved Generalization of Weight Space Networks via Augmentationss

Learning in deep weight spaces (DWS), where neural networks process the weights of other neural networks, is an emerging research direction, with applications to 2D and 3D neural fields (INRs, NeRFs), as well as making inferences about other types of …

On the Expressive Power of Spectral Invariant Graph Neural Networks

Incorporating spectral information to enhance Graph Neural Networks (GNNs) has shown promising results but raises a fundamental challenge due to the inherent ambiguity of eigenvectors. Various architectures have been proposed to address this …

Subgraphormer: Unifying Subgraph GNNs and Graph Transformers via Graph Products

In the realm of Graph Neural Networks (GNNs), two exciting research directions have recently emerged: Subgraph GNNs and Graph Transformers. In this paper, we propose an architecture that integrates both approaches, dubbed Subgraphormer, which …

Efficient Subgraph GNNs by Learning Effective Selection Policies

Subgraph GNNs are provably expressive neural architectures that learn graph representations from sets of subgraphs. Unfortunately, their applicability is hampered by the computational complexity associated with performing message passing on many …

Graph Metanetworks for Processing Diverse Neural Architectures

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for …

Individualized Dosing Dynamics via Neural Eigen Decomposition

Abstract Dosing models often use differential equations to model biological dynamics. Neural differential equations in particular can learn to predict the derivative of a process, which permits predictions at irregular points of time.

Optimization or Architecture: How to Hack Kalman Filtering

Since the KF assumptions are often violated, noise estimation is not a proxy to MSE optimization. Instead, our method (OKF) optimizes the MSE directly. In particular, neural network models should be tested against OKF rather than the non-optimized KF – in contrast to the common practice in the literature.

Train Hard, Fight Easy: Robust Meta Reinforcement Learning

We introduce RoML - a meta-algorithm that takes any meta-learning baseline algorithm and generates a robust version of it. A test task corresponding to high body mass, which is typically more difficult to control.