Jiarui Liu

Zheni Zeng, Bangchen Yin, Shipeng Wang et al.

Natural language is expected to be a key medium for various human-machine interactions in the era of large language models. When it comes to the biochemistry field, a series of tasks around molecules (e.g., property prediction, molecule mining, etc.) are of great significance while having a high technical threshold. Bridging the molecule expressions in natural language and chemical language can not only hugely improve the interpretability and reduce the operation difficulty of these tasks, but also fuse the chemical knowledge scattered in complementary materials for a deeper comprehension of molecules. Based on these benefits, we propose the conversational molecular design, a novel task adopting natural language for describing and editing target molecules. To better accomplish this task, we design ChatMol, a knowledgeable and versatile generative pre-trained model, enhanced by injecting experimental property information, molecular spatial knowledge, and the associations between natural and chemical languages into it. Several typical solutions including large language models (e.g., ChatGPT) are evaluated, proving the challenge of conversational molecular design and the effectiveness of our knowledge enhancement method. Case observations and analysis are conducted to provide directions for further exploration of natural-language interaction in molecular discovery.

Jiarui Liu, Kaustubh Dhole, Yingheng Wang et al.

Reinforcement learning with verifiable rewards (RLVR) has recently emerged as a promising framework for aligning language models with complex reasoning objectives. However, most existing methods optimize only for final task outcomes, leaving models vulnerable to collapse when negative rewards dominate early training. This challenge is especially pronounced in honesty alignment, where models must not only solve answerable queries but also identify when conclusions cannot be drawn from the given premises. Deductive reasoning provides an ideal testbed because it isolates reasoning capability from reliance on external factual knowledge. To investigate honesty alignment, we curate two multi-step deductive reasoning datasets from graph structures, one for linear algebra and one for logical inference, and introduce unanswerable cases by randomly perturbing an edge in half of the instances. We find that GRPO, with or without supervised fine tuning initialization, struggles on these tasks. Through extensive experiments across three models, we evaluate stabilization strategies and show that curriculum learning provides some benefit but requires carefully designed in distribution datasets with controllable difficulty. To address these limitations, we propose Anchor, a reinforcement learning method that injects ground truth trajectories into rollouts, preventing early training collapse. Our results demonstrate that this method stabilizes learning and significantly improves the overall reasoning performance, underscoring the importance of training dynamics for enabling reliable deductive reasoning in aligned language models.

Jiarui Liu, Wenkai Li, Zhijing Jin et al.

In an era of model and data proliferation in machine learning/AI especially marked by the rapid advancement of open-sourced technologies, there arises a critical need for standardized consistent documentation. Our work addresses the information incompleteness in current human-generated model and data cards. We propose an automated generation approach using Large Language Models (LLMs). Our key contributions include the establishment of CardBench, a comprehensive dataset aggregated from over 4.8k model cards and 1.4k data cards, coupled with the development of the CardGen pipeline comprising a two-step retrieval process. Our approach exhibits enhanced completeness, objectivity, and faithfulness in generated model and data cards, a significant step in responsible AI documentation practices ensuring better accountability and traceability.

Jia Wang, Yunan Mei, Jiarui Liu et al.

One-shot medical image segmentation (MIS) is crucial for medical analysis due to the burden of medical experts on manual annotation. The recent emergence of the segment anything model (SAM) has demonstrated remarkable adaptation in MIS but cannot be directly applied to one-shot medical image segmentation (MIS) due to its reliance on labor-intensive user interactions and the high computational cost. To cope with these limitations, we propose a novel SAM-guided robust representation learning framework, named RRL-MedSAM, to adapt SAM to one-shot 3D MIS, which exploits the strong generalization capabilities of the SAM encoder to learn better feature representation. We devise a dual-stage knowledge distillation (DSKD) strategy to distill general knowledge between natural and medical images from the foundation model to train a lightweight encoder, and then adopt a mutual exponential moving average (mutual-EMA) to update the weights of the general lightweight encoder and medical-specific encoder. Specifically, pseudo labels from the registration network are used to perform mutual supervision for such two encoders. Moreover, we introduce an auto-prompting (AP) segmentation decoder which adopts the mask generated from the general lightweight model as a prompt to assist the medical-specific model in boosting the final segmentation performance. Extensive experiments conducted on three public datasets, i.e., OASIS, CT-lung demonstrate that the proposed RRL-MedSAM outperforms state-of-the-art one-shot MIS methods for both segmentation and registration tasks. Especially, our lightweight encoder uses only 3\% of the parameters compared to the encoder of SAM-Base.