WaveFormer: Frequency-Time Decoupled Vision Modeling with Wave Equation

Vision modeling has advanced rapidly with Transformers, whose attention mechanisms capture visual dependencies but lack a principled account of how semantic information propagates spatially. We revisit this problem from a wave-based perspective: feature maps are treated as spatial signals whose evolution over an internal propagation time (aligned with network depth) is governed by an underdamped wave equation. In this formulation, spatial frequency-from low-frequency global layout to high-frequency edges and textures-is modeled explicitly, and its interaction with propagation time is controlled rather than implicitly fixed. We derive a closed-form, frequency-time decoupled solution and implement it as the Wave Propagation Operator (WPO), a lightweight module that models global interactions in O(N log N) time-far lower than attention. Building on WPO, we propose a family of WaveFormer models as drop-in replacements for standard ViTs and CNNs, achieving competitive accuracy across image classification, object detection, and semantic segmentation, while delivering up to 1.6x higher throughput and 30% fewer FLOPs than attention-based alternatives. Furthermore, our results demonstrate that wave propagation introduces a complementary modeling bias to heat-based methods, effectively capturing both global coherence and high-frequency details essential for rich visual semantics. Codes are available at: https://github.com/ZishanShu/WaveFormer.

MTPNet: Multi-Grained Target Perception for Unified Activity Cliff Prediction

Activity cliff prediction is a critical task in drug discovery and material design. Existing computational methods are limited to handling single binding targets, which restricts the applicability of these prediction models. In this paper, we present the Multi-Grained Target Perception network (MTPNet) to incorporate the prior knowledge of interactions between the molecules and their target proteins. Specifically, MTPNet is a unified framework for activity cliff prediction, which consists of two components: Macro-level Target Semantic (MTS) guidance and Micro-level Pocket Semantic (MPS) guidance. By this way, MTPNet dynamically optimizes molecular representations through multi-grained protein semantic conditions. To our knowledge, it is the first time to employ the receptor proteins as guiding information to effectively capture critical interaction details. Extensive experiments on 30 representative activity cliff datasets demonstrate that MTPNet significantly outperforms previous approaches, achieving an average RMSE improvement of 18.95% on top of several mainstream GNN architectures. Overall, MTPNet internalizes interaction patterns through conditional deep learning to achieve unified predictions of activity cliffs, helping to accelerate compound optimization and design. Codes are available at: https://github.com/ZishanShu/MTPNet.

Rethinking Text-based Protein Understanding: Retrieval or LLM?

In recent years, protein-text models have gained significant attention for their potential in protein generation and understanding. Current approaches focus on integrating protein-related knowledge into large language models through continued pretraining and multi-modal alignment, enabling simultaneous comprehension of textual descriptions and protein sequences. Through a thorough analysis of existing model architectures and text-based protein understanding benchmarks, we identify significant data leakage issues present in current benchmarks. Moreover, conventional metrics derived from natural language processing fail to accurately assess the model's performance in this domain. To address these limitations, we reorganize existing datasets and introduce a novel evaluation framework based on biological entities. Motivated by our observation, we propose a retrieval-enhanced method, which significantly outperforms fine-tuned LLMs for protein-to-text generation and shows accuracy and efficiency in training-free scenarios. Our code and data can be seen at https://github.com/IDEA-XL/RAPM.