E2Former-V2: On-the-Fly Equivariant Attention with Linear Activation Memory

Equivariant Graph Neural Networks (EGNNs) have become a widely used approach for modeling 3D atomistic systems. However, mainstream architectures face critical scalability bottlenecks due to the explicit construction of geometric features or dense tensor products on \textit{every} edge. To overcome this, we introduce \textbf{E2Former-V2}, a scalable architecture that integrates algebraic sparsity with hardware-aware execution. We first propose \textbf{E}quivariant \textbf{A}xis-\textbf{A}ligned \textbf{S}parsification (EAAS). EAAS builds on Wigner-$6j$ convolution by exploiting an $\mathrm{SO}(3) \rightarrow \mathrm{SO}(2)$ change of basis to transform computationally expensive dense tensor contractions into efficient, sparse parity re-indexing operations. Building on this representation, we introduce \textbf{On-the-Fly Equivariant Attention}, a fully node-centric mechanism implemented via a custom fused Triton kernel. By eliminating materialized edge tensors and maximizing SRAM utilization, our kernel achieves a \textbf{20$\times$ improvement in TFLOPS} compared to standard implementations. Extensive experiments on the SPICE and OMol25 datasets demonstrate that E2Former-V2 maintains comparable predictive performance while notably accelerating inference. This work demonstrates that large equivariant transformers can be trained efficiently using widely accessible GPU platforms. The code is avalible at https://github.com/IQuestLab/UBio-MolFM/tree/e2formerv2.

Adaptive Unimodal Regulation for Balanced Multimodal Information Acquisition

Sensory training during the early ages is vital for human development. Inspired by this cognitive phenomenon, we observe that the early training stage is also important for the multimodal learning process, where dataset information is rapidly acquired. We refer to this stage as the prime learning window. However, based on our observation, this prime learning window in multimodal learning is often dominated by information-sufficient modalities, which in turn suppresses the information acquisition of information-insufficient modalities. To address this issue, we propose Information Acquisition Regulation (InfoReg), a method designed to balance information acquisition among modalities. Specifically, InfoReg slows down the information acquisition process of information-sufficient modalities during the prime learning window, which could promote information acquisition of information-insufficient modalities. This regulation enables a more balanced learning process and improves the overall performance of the multimodal network. Experiments show that InfoReg outperforms related multimodal imbalanced methods across various datasets, achieving superior model performance. The code is available at https://github.com/GeWu-Lab/InfoReg_CVPR2025.