arXiv Machine Learning

A meta-algorithm for ab initio reconstruction of complex mixtures in cryo-EM

The article presents a systematic meta-algorithm for spawning and aggregating multi-class cryo-EM reconstruction jobs, formalizing iterative classification and filtering strategies used by practitioners. It claims to be the first method capable of ab initio reconstruction on datasets with dozens of distinct species, achieving 97% accuracy on a 45-class subset of Tomotwin-100 and 75% on the full dataset, and successfully recovering ribosomal assembly states from an unfiltered experimental cryo-EM dataset. The approach scales with compute resources and aims to underpin automated cryo-EM workflows in contemporary experimental settings.

arXiv Machine Learning
Jun 10

POPSICLE: Benchmark Datasets for Segmentation and Localization in CryoET

arXiv:2606. 10255v1 Announce Type: cross Abstract: Cryo-electron tomography (cryoET) has emerged as a powerful tool in structural and cellular biology by enabling direct visualization of macromolecular structures within intact cells, thereby linking molecular architecture to cellular organization in a native context.

By Jonathan Schwartz, Utz Heinrich Ermel, C. Braxton Owens, Zhuowen Zhao, Ariana Peck, Gus L. W. Hart, Grant J. Jensen, Bridget Carragher, Dari Kimanius
arXiv Machine Learning
Sep 7

The microscope is the mask: privileged views and labels from a cryo-ET forward model

The paper introduces CARNIVAL, a model for protein annotation in cryo-electron tomography (cryo-ET) volumes that leverages simulated data and a forward model to generate domain‑specific augmented paired views for self‑supervised training. By incorporating simulation‑derived protein positions and identities into the architecture and loss function, the model localises semantic information at protein locations. CARNIVAL is evaluated on real tomograms without finetuning and outperforms a state‑of‑the‑art contrastive model that lacks forward‑model paired views or privileged information.

By Bogdan Toader, Kiarash Jamali, Tanmay A. M. Bharat, Sjors H. W. Scheres
arXiv AI
Sep 18

Ambient Dataloops: Generative Models for Dataset Refinement

Ambient Dataloops is an iterative framework that refines datasets to improve diffusion model training. By co‑evolving the dataset and the model, each iteration produces higher‑quality data while the model learns to handle slightly less noisy synthetic samples using Ambient Diffusion techniques. The approach achieves state‑of‑the‑art results in unconditional and text‑conditional image generation as well as de novo protein design, and the authors provide a theoretical justification for the benefits of the looping procedure.

By Adri\'an Rodr\'iguez-Mu\~noz, William Daspit, Adam Klivans, Antonio Torralba, Constantinos Daskalakis, Giannis Daras