arXiv AI

HD-Prot: A Protein Language Model for Joint Sequence-Structure Modeling with Continuous Structure Tokens

arXiv:2512. 15133v3 Announce Type: replace-cross Abstract: Proteins inherently possess a consistent sequence-structure duality.

arXiv Machine Learning
Jun 16

Branching Flows: Discrete, Continuous, and Manifold Flow Matching with Splits and Deletions

arXiv:2511. 09465v4 Announce Type: replace-cross Abstract: Diffusion and flow matching approaches to generative modeling have shown promise in domains where the state space is continuous, such as image generation or protein folding & design, and discrete, exemplified by diffusion large language models.

By Lukas Billera, Hedwig Nora Nordlinder, Jack Collier Ryder, Anton Oresten, Aron St{\aa}lmarck, Theodor Mosetti Bj\"ork, Ben Murrell
arXiv Machine Learning
Jun 16

Learning Topological Representations for Molecular Dynamics

arXiv:2606. 14737v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulations generate trajectories in a high-dimensional configuration space whose analysis critically depends on molecular descriptors, typically handcrafted observables or learned kinetic embeddings.

By Dominik Geng, Florian Graf, Martin Uray, Roland Kwitt
arXiv AI
Aug 12

Proteo-R1: Reasoning Foundation Models for De Novo Protein Design

arXiv:2605. 02937v2 Announce Type: replace-cross Abstract: Deep learning in de novo protein design has achieved atomic-level fidelity.

By Fang Wu, Weihao Xuan, Heli Qi, Hanqun Cao, Heng-Jui Chang, Zeqi Zhou, Haokai Zhao, Ma Jian, Carl Ma, Yu-Chi Cheng, Kuan Pang, Xiangru Tang, Zehong Wang, Guanlue Li, Hanchen Wang, Kejun Ying, Pan Lu, Chiho Im, Seungju Han, Peng Xia, Tinson Xu, Yinxi Li, Deyao Zhu, Pheng-Ann Heng, Naoto Yokoya, Masashi Sugiyama, Li Erran Li, Jure Leskovec, Yejin Choi
arXiv Machine Learning
Jun 18

Contextualizing Biological Language Models across Modalities via Logit-Space Contrastive Alignment

arXiv:2606. 18703v1 Announce Type: new Abstract: Pretrained biological language models expose per-token probability distributions through masked-token prediction, providing the likelihood interface central to sequence design, variant scoring, and mechanistic interpretation.

By Yanjun Shao, Yundi Chen, Yashvi Patel, Aurelien Pelissier, Mar\'ia Rodr\'iguez Mart\'inez