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CryoNet.Refine: A One-step Diffusion Model for Rapid Refinement of Structural Models with Cryo-EM Density Map Restraints

arXiv:2602.22263v2 Announce Type: replace-cross Abstract: High-resolution structure determination by cryo-electron microscopy (cryo-EM) requires the accurate fitting of an atomic model into an experimental density map. Traditional refinement pipelines such as Phenix.real_space_refine and Rosetta are computationally expensive, demand extensive manual tuning, and present a significant bottleneck for researchers. We present CryoNet.Refine, an end-to-end deep learning framework that automates and accelerates molecular structure refinement. Our approach utilizes a one-step diffusion model that integrates a density-aware loss function with robust stereochemical restraints, enabling rapid optimization of a structure against experimental data. CryoNet.Refine provides a unified and versatile solution capable of refining protein complexes as well as DNA/RNA-protein complexes. In benchmarks against Phenix.real_space_refine, CryoNet.Refine consistently achieves substantial improvements in both model-map correlation and overall geometric quality metrics. By offering a scalable, automated, and powerful alternative, CryoNet.Refine aims to serve as an essential tool for next-generation cryo-EM structure refinement. Web server: https://cryonet.ai/refine; Source code: https://github.com/kuixu/cryonet.refine.

One Token Is Enough: Improving Diffusion Language Models with a Sink Token

arXiv:2601.19657v4 Announce Type: replace-cross Abstract: Diffusion Language Models (DLMs) have emerged as a compelling alternative to autoregressive approaches, enabling parallel text generation with competitive performance. Despite these advantages, there is a critical instability in DLMs: the moving sink phenomenon. Our analysis indicates that sink tokens exhibit low-norm representations in the Transformer's value space, and that the moving sink phenomenon serves as a protective mechanism in DLMs to prevent excessive information mixing. However, their unpredictable positions across diffusion steps undermine inference robustness. To resolve this, we propose a simple but effective extra sink token implemented via a modified attention mask. Specifically, we introduce a special token constrained to attend solely to itself, while remaining globally visible to all other tokens. Experimental results demonstrate that introducing a single extra token stabilizes attention sinks, substantially improving model performance. Crucially, further analysis confirms that the effectiveness of this token is independent of its position and characterized by negligible semantic content, validating its role as a robust and dedicated structural sink.
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