Rigidity-Aware Geometric Pretraining for Protein Design and Conformational Ensembles

arXiv:2603.02406 · cs.LG, cs.AI · Submitted 2026-03-02 · Read on arXiv

cs.LG, cs.AI

Submitted: 2026-03-02

Updated: 2026-10-18

Comments: The Fourteenth International Conference on Learning Representations; Code available at: https://github.com/ZhanghanNi/RigidSSL.git

License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Terminology

• Downstream Tasks — 1× in this paper · explained in 2 episodes
• Flow Matching — 1× in this paper · explained in 17 episodes
• Generative Model — 1× in this paper · explained in 2 episodes
• Generative Models — 1× in this paper · explained in 3 episodes
• Mutual Information — 1× in this paper · explained in 2 episodes
• Scaffolding — 1× in this paper · explained in 3 episodes
• Self-Supervised Learning — 1× in this paper · explained in 8 episodes

Related papers

• Polynomial-Augmented Neural Networks (PANNs) with Weak Orthogonality Constraints for Enhanced Function and PDE Approximation
• AIRL-S: Unifying Reinforcement Learning and Search-Based Test-Time Scaling via Adversarial Inverse Reinforcement Learning
• Transformers as Bayesian In-Context Experimenters: Smoothness-Adaptive Efficient ATE Estimation
• Convergence issues in Relational Concept Analysis based on AOC-posets
• Beliefs Beyond Posteriors: The Predictive Cost of ELBO Binding
• Understanding Diffusion Models via Ratio-Based Function Approximation with SignReLU Networks