Predicting and generating antibiotics against future pathogens with ApexOracle

Antimicrobial resistance (AMR) is escalating and outpacing current antibiotic development. Thus, discovering antibiotics effective against emerging pathogens is becoming increasingly critical. However, existing approaches cannot rapidly identify effective molecules against novel pathogens or emerging drug-resistant strains. Here, we introduce ApexOracle, an artificial intelligence (AI) model that both predicts the antibacterial potency of existing compounds and designs de novo molecules active against strains it has never encountered. Departing from models that rely solely on molecular features, ApexOracle incorporates pathogen-specific context through the integration of molecular features captured via a foundational discrete diffusion language model and a dual-embedding framework that combines genomic- and literature-derived strain representations. Across diverse bacterial species and chemical modalities, ApexOracle consistently outperformed state-of-the-art approaches in activity prediction and demonstrated reliable transferability to novel pathogens with little or no antimicrobial data. Its unified representation-generation architecture further enables the in silico creation of "new-to-nature" molecules with high predicted efficacy against priority threats. By pairing rapid activity prediction with targeted molecular generation, ApexOracle offers a scalable strategy for countering AMR and preparing for future infectious-disease outbreaks.

Self-Sampling Meta SAM: Enhancing Few-shot Medical Image Segmentation with Meta-Learning

While the Segment Anything Model (SAM) excels in semantic segmentation for general-purpose images, its performance significantly deteriorates when applied to medical images, primarily attributable to insufficient representation of medical images in its training dataset. Nonetheless, gathering comprehensive datasets and training models that are universally applicable is particularly challenging due to the long-tail problem common in medical images. To address this gap, here we present a Self-Sampling Meta SAM (SSM-SAM) framework for few-shot medical image segmentation. Our innovation lies in the design of three key modules: 1) An online fast gradient descent optimizer, further optimized by a meta-learner, which ensures swift and robust adaptation to new tasks. 2) A Self-Sampling module designed to provide well-aligned visual prompts for improved attention allocation; and 3) A robust attention-based decoder specifically designed for medical few-shot learning to capture relationship between different slices. Extensive experiments on a popular abdominal CT dataset and an MRI dataset demonstrate that the proposed method achieves significant improvements over state-of-the-art methods in few-shot segmentation, with an average improvements of 10.21% and 1.80% in terms of DSC, respectively. In conclusion, we present a novel approach for rapid online adaptation in interactive image segmentation, adapting to a new organ in just 0.83 minutes. Code is publicly available on GitHub upon acceptance.