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Xinyuan Cai

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AAAI Conference 2026 Conference Paper

TinyChemVL: Advancing Chemical Vision-Language Models via Efficient Visual Token Reduction and Complex Reaction Tasks

  • Xuanle Zhao
  • Shuxin Zeng
  • Xinyuan Cai
  • Xiang Cheng
  • Duzhen Zhang
  • Xiuyi Chen
  • Bo Xu

While Vision Language Models (VLMs) have demonstrated remarkable capabilities in general visual understanding, their application in the chemical domain has been limited, with previous works predominantly focusing on text and thus overlooking critical visual information, such as molecular structures. Current approaches that directly adopt standard VLMs for chemical tasks suffer from two primary issues: (i) computational inefficiency of processing entire chemical images with non-informative backgrounds. (ii) a narrow scope on molecular-level tasks that restricts progress in chemical reasoning. In this work, we propose TinyChemVL, an efficient and powerful chemical VLM that leverages visual token reduction and reaction-level tasks to improve model efficiency and reasoning capacity. Also, we propose ChemRxn-V, a reaction-level benchmark for assessing vision-based reaction recognition and prediction tasks. Directly predicting reaction products from molecular images poses a non-trivial challenge, as it requires models to integrate both recognition and reasoning capacities. Our results demonstrate that, with only 4B parameters, TinyChemVL achieves superior performance on both molecular and reaction tasks, while also demonstrating faster inference and training speeds compared to existing models. Notably, TinyChemVL outperforms ChemVLM while utilizing only 1/16th of the visual tokens. This work builds efficient yet powerful VLMs for chemical domains by co-designing model architecture and task complexity.

IJCAI Conference 2013 Conference Paper

Regularized Latent Least Square Regression for Cross Pose Face Recognition

  • Xinyuan Cai
  • Chunheng Wang
  • Baihua Xiao
  • Xue Chen
  • Ji Zhou

Pose variation is one of the challenging factors for face recognition. In this paper, we propose a novel cross-pose face recognition method named as Regularized Latent Least Square Regression (RLLSR). The basic assumption is that the images captured under different poses of one person can be viewed as pose-specific transforms of a single ideal object. We treat the observed images as regressor, the ideal object as response, and then formulate this assumption in the least square regression framework, so as to learn the multiple pose-specific transforms. Specifically, we incorporate some prior knowledge as two regularization terms into the least square approach: 1) the smoothness regularization, as the transforms for nearby poses should not differ too much; 2) the local consistency constraint, as the distribution of the latent ideal objects should preserve the geometric structure of the observed image space. We develop an alternating algorithm to simultaneously solve for the ideal objects of the training individuals and a set of pose-specific transforms. The experimental results on the Multi-PIE dataset demonstrate the effectiveness of the proposed method and superiority over the previous methods.