Mathias Niepert

Adaptive Width Neural Networks

Learning the Neighborhood: Contrast-Free Multimodal Self-Supervised Molecular Graph Pretraining

FACET: A Fragment-Aware Conformer Ensemble Transformer

GraIP: A Benchmarking Framework for Neural Graph Inverse Problems

GraphBench: Next-generation graph learning benchmarking

S-Chain: Structured Visual Chain-of-Thought for Medicine

Learning (Approximately) Equivariant Networks via Constrained Optimization

Learning to Discretize Denoising Diffusion ODEs

CALM-PDE: Continuous and Adaptive Convolutions for Latent Space Modeling of Time-dependent PDEs

Rao-Blackwell Gradient Estimators for Equivariant Denoising Diffusion

Active Learning for Neural PDE Solvers

Tractable Transformers for Flexible Conditional Generation

Adaptive Message Passing: A General Framework to Mitigate Oversmoothing, Oversquashing, and Underreaching

ExGra-Med: Extended Context Graph Alignment for Medical Vision-Language Models

Physics-Informed Weakly Supervised Learning For Interatomic Potentials

How Many Tokens Do 3D Point Cloud Transformer Architectures Really Need?

Discrete Copula Diffusion

On Zero-Initialized Attention: Optimal Prompt and Gating Factor Estimation

LoGra-Med: Long-Context Multi-Graph Alignment for Medical Visual-Language Models

Physics-Informed Weakly Supervised Learning for Interatomic Potentials