Predictive Accuracy-Based Active Learning for Medical Image Segmentation

Active learning is considered a viable solution to alleviate the contradiction between the high dependency of deep learning-based segmentation methods on annotated data and the expensive pixel-level annotation cost of medical images. However, most existing methods suffer from unreliable uncertainty assessment and the struggle to balance diversity and informativeness, leading to poor performance in segmentation tasks. In response, we propose an efficient Predictive Accuracy-based Active Learning (PAAL) method for medical image segmentation, first introducing predictive accuracy to define uncertainty. Specifically, PAAL mainly consists of an Accuracy Predictor (AP) and a Weighted Polling Strategy (WPS). The former is an attached learnable module that can accurately predict the segmentation accuracy of unlabeled samples relative to the target model with the predicted posterior probability. The latter provides an efficient hybrid querying scheme by combining predicted accuracy and feature representation, aiming to ensure the uncertainty and diversity of the acquired samples. Extensive experiment results on multiple datasets demonstrate the superiority of PAAL. PAAL achieves comparable accuracy to fully annotated data while reducing annotation costs by approximately 50% to 80%, showcasing significant potential in clinical applications. The code is available at https://github.com/shijun18/PAAL-MedSeg.

Structured Chemistry Reasoning with Large Language Models

This paper studies the problem of solving complex chemistry problems with large language models (LLMs). Despite the extensive general knowledge in LLMs (such as GPT-4), they struggle with chemistry reasoning that requires faithful grounded reasoning with diverse chemical knowledge and an integrative understanding of chemical interactions. We propose InstructChem, a new structured reasoning approach that substantially boosts the LLMs' chemical reasoning capabilities. InstructChem explicitly decomposes the reasoning into three critical phrases, including chemical formulae generation by LLMs that offers the basis for subsequent grounded reasoning, step-by-step reasoning that makes multi-step derivations with the identified formulae for a preliminary answer, and iterative review-and-refinement that steers LLMs to progressively revise the previous phases for increasing confidence, leading to the final high-confidence answer. We conduct extensive experiments on four different chemistry challenges, including quantum chemistry, quantum mechanics, physical chemistry, and chemistry kinetics. Our approach significantly enhances GPT-4 on chemistry reasoning, yielding an 8% average absolute improvement and a 30% peak improvement. We further use the generated reasoning by GPT-4 to fine-tune smaller LMs (e.g., Vicuna) and observe strong improvement of the smaller LMs. This validates our approach and enables LLMs to generate high-quality reasoning.