Chao Xu

Yifei Zhu, Jiahui Zhang, Jiawei Peng et al.

Obtaining 3D conformations of realistic polyatomic molecules at the quantum chemistry level remains challenging, and although recent machine learning advances offer promise, predicting large-molecule structures still requires substantial computational effort. Here, we introduce StoL, a diffusion model-based framework that enables rapid and knowledge-free generation of large molecular structures from small-molecule data. Remarkably, StoL assembles molecules in a LEGO-style fashion from scratch, without seeing the target molecules or any structures of comparable size during training. Given a SMILES input, it decomposes the molecule into chemically valid fragments, generates their 3D structures with a diffusion model trained on small molecules, and assembles them into diverse conformations. This fragment-based strategy eliminates the need for large-molecule training data while maintaining high scalability and transferability. By embedding chemical principles into key steps, StoL ensures faster convergence, chemically rational structures, and broad configurational coverage, as confirmed against DFT calculations.

Mengjie Liu, Jiahui Peng, Wenchang Ning et al.

High-quality main content extraction from web pages is a critical prerequisite for constructing large-scale training corpora. While traditional heuristic extractors are efficient, they lack the semantic reasoning required to handle the structural heterogeneity of the modern web. Conversely, well-pretrained generative Large Language Models (LLMs) offer superior document comprehension but are prohibited by excessive computational costs, limited context windows, and hallucination risks when applied at web scale. We present \textbf{Dripper}, a lightweight framework that resolves these bottlenecks through four contributions: (1) We reformulate extraction as a \textbf{constrained sequence labeling} task using SLMs (Small Language Models). This paradigm eliminates generative hallucinations and achieves exceptional efficiency, reaching a throughput of 3.08 pages per second on a single A100 GPU. (2) We construct \textbf{WebMainBench}, a rigorous benchmark of 7,809 human-annotated pages covering 5,434 unique domains and multiple languages. Evaluations show our Dripper-0.6B model \textbf{outperforms} heuristics like Trafilatura and rivals massive models like DeepSeek-V3.2(685B), GPT-5 and Gemini-2.5-Pro, offering an optimal efficiency-accuracy trade-off. (3) We demonstrate infrastructural value by \textbf{pre-training a 1B model} on a Dripper-curated corpus (63B tokens). This model significantly outperforms baselines in downstream tasks, proving the critical role of extraction quality and the effectiveness of our framework. (4) We \textbf{open-source} the Dripper-0.6B weights and codebase to facilitate the construction of high-quality datasets.