CROP: Integrating Topological and Spatial Structures via Cross-View Prefixes for Molecular LLMs

Recent advances in molecular science have been propelled significantly by large language models (LLMs). However, their effectiveness is limited when relying solely on molecular sequences, which fail to capture the complex structures of molecules. Beyond sequence representation, molecules exhibit two complementary structural views: the first focuses on the topological relationships between atoms, as exemplified by the graph view; and the second emphasizes the spatial configuration of molecules, as represented by the image view. The two types of views provide unique insights into molecular structures. To leverage these views collaboratively, we propose the CROss-view Prefixes (CROP) to enhance LLMs' molecular understanding through efficient multi-view integration. CROP possesses two advantages: (i) efficiency: by jointly resampling multiple structural views into fixed-length prefixes, it avoids excessive consumption of the LLM's limited context length and allows easy expansion to more views; (ii) effectiveness: by utilizing the LLM's self-encoded molecular sequences to guide the resampling process, it boosts the quality of the generated prefixes. Specifically, our framework features a carefully designed SMILES Guided Resampler for view resampling, and a Structural Embedding Gate for converting the resulting embeddings into LLM's prefixes. Extensive experiments demonstrate the superiority of CROP in tasks including molecule captioning, IUPAC name prediction and molecule property prediction.

BASIC: Boosting Visual Alignment with Intrinsic Refined Embeddings in Multimodal Large Language Models

Mainstream Multimodal Large Language Models (MLLMs) achieve visual understanding by using a vision projector to bridge well-pretrained vision encoders and large language models (LLMs). The inherent gap between visual and textual modalities makes the embeddings from the vision projector critical for visual comprehension. However, current alignment approaches treat visual embeddings as contextual cues and merely apply auto-regressive supervision to textual outputs, neglecting the necessity of introducing equivalent direct visual supervision, which hinders the potential finer alignment of visual embeddings. In this paper, based on our analysis of the refinement process of visual embeddings in the LLM's shallow layers, we propose BASIC, a method that utilizes refined visual embeddings within the LLM as supervision to directly guide the projector in generating initial visual embeddings. Specifically, the guidance is conducted from two perspectives: (i) optimizing embedding directions by reducing angles between initial and supervisory embeddings in semantic space; (ii) improving semantic matching by minimizing disparities between the logit distributions of both visual embeddings. Without additional supervisory models or artificial annotations, BASIC significantly improves the performance of MLLMs across a wide range of benchmarks, demonstrating the effectiveness of our introduced direct visual supervision.

Tracking the Copyright of Large Vision-Language Models through Parameter Learning Adversarial Images

Large vision-language models (LVLMs) have demonstrated remarkable image understanding and dialogue capabilities, allowing them to handle a variety of visual question answering tasks. However, their widespread availability raises concerns about unauthorized usage and copyright infringement, where users or individuals can develop their own LVLMs by fine-tuning published models. In this paper, we propose a novel method called Parameter Learning Attack (PLA) for tracking the copyright of LVLMs without modifying the original model. Specifically, we construct adversarial images through targeted attacks against the original model, enabling it to generate specific outputs. To ensure these attacks remain effective on potential fine-tuned models to trigger copyright tracking, we allow the original model to learn the trigger images by updating parameters in the opposite direction during the adversarial attack process. Notably, the proposed method can be applied after the release of the original model, thus not affecting the model's performance and behavior. To simulate real-world applications, we fine-tune the original model using various strategies across diverse datasets, creating a range of models for copyright verification. Extensive experiments demonstrate that our method can more effectively identify the original copyright of fine-tuned models compared to baseline methods. Therefore, this work provides a powerful tool for tracking copyrights and detecting unlicensed usage of LVLMs.