arXiv subjects

Aijia Guo

Publications and source records attributed to Aijia Guo.

3 recordsLinked to original sources

arXiv2026

DianShi-RxnDB: A Large-Scale, Fine-Grained Organic Reaction Data Platform Built via a Fully Automated Pipeline for Researchers and AI Agents

High-quality structured organic reaction data are essential for developing artificial intelligence for chemistry (AI4Chem), yet much of this knowledge remains dispersed across patent text, images, and reaction schemes. We present DianShi-RxnDB, a large-scale, fine-grained organic reaction data platform built via a fully automated extraction and normalization pipeline integrating patent text, images, and reaction schemes. Its corpus covers organic synthesis patents from the USPTO and EPO published between 1976 and 2025, yielding approximately 24 million reaction instances, of which approximately 14.8 million (61.7%) pass automated qualification checks. Each instance represents a specific single-step experiment recording participants, roles, quantities, temperatures, reaction times, yields, experimental procedures, and provenance links to source patents. In a manual evaluation of 1,300 sampled qualified instances, the micro-averaged field-level accuracy was 92.95%. A matched comparison with Pistachio further indicated advantages in deduplicated record counts, representation granularity, and field-level exact agreement. The platform provides a Web research workbench for searching, filtering, comparing, and source-verifying records, and a Model Context Protocol (MCP) service offering AI agents composable structured retrieval tools. DianShi-RxnDB is available at https://dianshi.opendatalab.org.cn/ .

cs.CL↗

arXiv2025

Intern-S1: A Scientific Multimodal Foundation Model

In recent years, a plethora of open-source foundation models have emerged, achieving remarkable progress in some widely attended fields, with performance being quite close to that of closed-source models. However, in high-value but more challenging scientific professional fields, either the fields still rely on expert models, or the progress of general foundation models lags significantly compared to those in popular areas, far from sufficient for transforming scientific research and leaving substantial gap between open-source models and closed-source models in these scientific domains. To mitigate this gap and explore a step further toward Artificial General Intelligence (AGI), we introduce Intern-S1, a specialized generalist equipped with general understanding and reasoning capabilities with expertise to analyze multiple science modal data. Intern-S1 is a multimodal Mixture-of-Experts (MoE) model with 28 billion activated parameters and 241 billion total parameters, continually pre-trained on 5T tokens, including over 2.5T tokens from scientific domains. In the post-training stage, Intern-S1 undergoes offline and then online reinforcement learning (RL) in InternBootCamp, where we propose Mixture-of-Rewards (MoR) to synergize the RL training on more than 1000 tasks simultaneously. Through integrated innovations in algorithms, data, and training systems, Intern-S1 achieved top-tier performance in online RL training. On comprehensive evaluation benchmarks, Intern-S1 demonstrates competitive performance on general reasoning tasks among open-source models and significantly outperforms open-source models in scientific domains, surpassing closed-source state-of-the-art models in professional tasks, such as molecular synthesis planning, reaction condition prediction, predicting thermodynamic stabilities for crystals. Our models are available at https://huggingface.co/internlm/Intern-S1.

cs.LG↗

arXiv2024

InternLM2 Technical Report

The evolution of Large Language Models (LLMs) like ChatGPT and GPT-4 has sparked discussions on the advent of Artificial General Intelligence (AGI). However, replicating such advancements in open-source models has been challenging. This paper introduces InternLM2, an open-source LLM that outperforms its predecessors in comprehensive evaluations across 6 dimensions and 30 benchmarks, long-context modeling, and open-ended subjective evaluations through innovative pre-training and optimization techniques. The pre-training process of InternLM2 is meticulously detailed, highlighting the preparation of diverse data types including text, code, and long-context data. InternLM2 efficiently captures long-term dependencies, initially trained on 4k tokens before advancing to 32k tokens in pre-training and fine-tuning stages, exhibiting remarkable performance on the 200k ``Needle-in-a-Haystack" test. InternLM2 is further aligned using Supervised Fine-Tuning (SFT) and a novel Conditional Online Reinforcement Learning from Human Feedback (COOL RLHF) strategy that addresses conflicting human preferences and reward hacking. By releasing InternLM2 models in different training stages and model sizes, we provide the community with insights into the model's evolution.

cs.CL↗