COMO: Closed-Loop Optical Molecule Recognition with Minimum Risk Training

Optical chemical structure recognition (OCSR) translates molecular images into machine-readable representations like SMILES strings or molecular graphs, but remains challenging in real-world documents due to inexhaustible variations in chemical structures, shorthand conventions, and visual noise. Most existing deep-learning-based approaches rely on teacher forcing with token-level Maximum Likelihood Estimation (MLE). This training paradigm suffers from exposure bias, as models are trained under ground-truth prefixes but must condition on their own previous predictions during inference. Moreover, token-level MLE objectives hinder the optimization towards molecular-level evaluation criteria such as chemical validity and structural similarity. Here we introduce Minimum Risk Training (MRT) to OCSR and propose COMO (Closed-loop Optical Molecule recOgnition), a closed-loop framework that mitigates exposure bias by directly optimizing over molecule-level, non-differentiable objectives, by iteratively sampling and evaluating the model's own predictions. Experiments on ten benchmarks including synthetic and real-world chemical diagrams from patent and scientific literature demonstrate that COMO substantially outperforms existing rule-based and learning-based methods with less training data. Ablation studies further show that MRT is architecture-agnostic, demonstrating its potential for broad application to end-to-end OCSR systems.

Not too long do read: Evaluating LLM-generated extreme scientific summaries

High-quality scientific extreme summary (TLDR) facilitates effective science communication. How do large language models (LLMs) perform in generating them? How are LLM-generated summaries different from those written by human experts? However, the lack of a comprehensive, high-quality scientific TLDR dataset hinders both the development and evaluation of LLMs' summarization ability. To address these, we propose a novel dataset, BiomedTLDR, containing a large sample of researcher-authored summaries from scientific papers, which leverages the common practice of including authors' comments alongside bibliography items. We then test popular open-weight LLMs for generating TLDRs based on abstracts. Our analysis reveals that, although some of them successfully produce humanoid summaries, LLMs generally exhibit a greater affinity for the original text's lexical choices and rhetorical structures, hence tend to be more extractive rather than abstractive in general, compared to humans. Our code and datasets are available at https://github.com/netknowledge/LLM_summarization (Lyu and Ke, 2025).

Towards understanding evolution of science through language model series

We introduce AnnualBERT, a series of language models designed specifically to capture the temporal evolution of scientific text. Deviating from the prevailing paradigms of subword tokenizations and "one model to rule them all", AnnualBERT adopts whole words as tokens and is composed of a base RoBERTa model pretrained from scratch on the full-text of 1.7 million arXiv papers published until 2008 and a collection of progressively trained models on arXiv papers at an annual basis. We demonstrate the effectiveness of AnnualBERT models by showing that they not only have comparable performances in standard tasks but also achieve state-of-the-art performances on domain-specific NLP tasks as well as link prediction tasks in the arXiv citation network. We then utilize probing tasks to quantify the models' behavior in terms of representation learning and forgetting as time progresses. Our approach enables the pretrained models to not only improve performances on scientific text processing tasks but also to provide insights into the development of scientific discourse over time. The series of the models is available at https://huggingface.co/jd445/AnnualBERTs.