Yimi Wang

Yuguang Yang, Yiming Wang, Shupeng Geng et al.

The emergence of cross-modal foundation models has introduced numerous approaches grounded in text-image retrieval. However, on some domain-specific retrieval tasks, these models fail to focus on the key attributes required. To address this issue, we propose a self-enhancement framework, A^{3}R, based on the CLIP-ViT/G-14, one of the largest cross-modal models. First, we perform an Attribute Augmentation strategy to enrich the textual description for fine-grained representation before model learning. Then, we propose an Adaption Re-ranking method to unify the representation space of textual query and candidate images and re-rank candidate images relying on the adapted query after model learning. The proposed framework is validated to achieve a salient improvement over the baseline and other teams' solutions in the cross-modal image retrieval track of the 1st foundation model challenge without introducing any additional samples. The code is available at \url{https://github.com/CapricornGuang/A3R}.

Zhiyuan Yan, Chen Liu, Boxuan Zhao et al.

Molecules are graphs, but large language models~(LLMs) are usually asked to reason about them through linear strings. The most popular molecular representation, SMILES, compresses atoms, bonds, branches and rings into a compact sequence in which topology is implicit, forcing LLMs to reconstruct molecular structure before performing the requested chemical operation. Here we introduce MoleCode, an LLM-native, training-free, graph-explicit molecular language in which all molecular components are represented as typed entities with persistent identifiers and explicit relations. MoleCode makes molecular topology directly readable, editable and auditable within the language context, allowing an LLM to operate on structure rather than recover it from syntax. Across molecular reasoning, editing, generation and analysis tasks, this representational shift improves frontier LLMs most strongly when structural access is limiting: unfamiliar molecules, topology-sensitive operations, larger structures and repetitive polymers. It also changes how inference is allocated, replacing long reasoning traces devoted to implicit structural reconstruction with shorter, more chemically directed reasoning over explicit atoms and bonds. In molecular optimization, this enables localized, property-aligned edits that preserve structural similarity to the starting compounds. The same Subgraph--Node--Edge grammar extends beyond small molecules to polymers, Markush structures, mechanism-style transformations and interleaved scientific documents, including research articles and patent disclosures in which chemical information is distributed across text and images. These results suggest that the interface between scientific objects and LLMs should not treat structure as something to be decoded from text. When the object of reasoning is relational, the structure itself should be part of the language.

Yuguang Yang, Runtang Guo, Sheng Wu et al.

Interpretation of deep learning remains a very challenging problem. Although the Class Activation Map (CAM) is widely used to interpret deep model predictions by highlighting object location, it fails to provide insight into the salient features used by the model to make decisions. Furthermore, existing evaluation protocols often overlook the correlation between interpretability performance and the model's decision quality, which presents a more fundamental issue. This paper proposes a new two-stage interpretability method called the Decomposition Class Activation Map (Decom-CAM), which offers a feature-level interpretation of the model's prediction. Decom-CAM decomposes intermediate activation maps into orthogonal features using singular value decomposition and generates saliency maps by integrating them. The orthogonality of features enables CAM to capture local features and can be used to pinpoint semantic components such as eyes, noses, and faces in the input image, making it more beneficial for deep model interpretation. To ensure a comprehensive comparison, we introduce a new evaluation protocol by dividing the dataset into subsets based on classification accuracy results and evaluating the interpretability performance on each subset separately. Our experiments demonstrate that the proposed Decom-CAM outperforms current state-of-the-art methods significantly by generating more precise saliency maps across all levels of classification accuracy. Combined with our feature-level interpretability approach, this paper could pave the way for a new direction for understanding the decision-making process of deep neural networks.