Jun Xia

Chuangxin Zhao, Canran Xiao, Siyuan Ma et al.

Multimodal large language models (MLLMs) are increasingly required to adapt to non-stationary streams of visual domains, question types, and user instructions, yet continual fine-tuning often causes severe forgetting of previously acquired multimodal skills. Existing continual vision-language methods mainly preserve outputs, replay data or pseudo-data, regularize embedding geometry, or allocate task-specific parameters, but they provide limited control over how internal cross-modal attention patterns supporting old skills drift during adaptation. We propose Attention-Spectrum Regularization (ASR), a replay-free continual learning framework that preserves skill-conditioned structures of cross-modal attention. ASR treats cross-attention maps as two-dimensional signals, summarizes their scale and directional properties into compact spectral statistics, and stores only skill-wise prototype distributions instead of replaying past image-question pairs, generated pseudo-examples, or old-stage teacher snapshots. In later stages, a phase-invariant spectral regularizer constrains harmful drift of these prototypes while allowing instance-level attention to adapt to new tasks. We provide theoretical analysis showing that skill-conditioned spectral drift controls forgetting under a spectral sufficiency assumption, and that Fourier power spectra are stable to spatial translations and bounded perturbations. Experiments on continual VQA and multimodal instruction-tuning benchmarks, including VQA v2, VQACL, CLT-VQA, CoIN, and UCIT, show that ASR consistently improves final performance and reduces forgetting over strong replay-, regularization-, and adapter-based baselines. Preserving skill-level attention structure is an effective and lightweight mechanism for continual MLLMs. Code is available at https://github.com/Creative-zcx/attention-spectrum-replay

Chen Yang, Zheng Fang, Hanyu Sun et al.

Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful tool for molecular structure analysis, and spectral artificial intelligence offers great potential for its rapid and automated interpretation. However, the scarcity of experimental NMR datasets has constrained deep learning in this domain to narrow, task-specific applications that lack broad generalization. Here, we introduce UltraNMR, a large-scale foundation model for NMR that leverages the intrinsic properties of NMR spectra to learn generalizable spectral representations. We collected 158 million paired simulated $^{1}$H and $^{13}$C NMR spectra to train UltraNMR, employing multiple domain-specific pre-training objectives. UltraNMR captures both intra-spectral and inter-spectral dependencies, enabling seamless simulation-to-real adaptation. We demonstrate that adapting UltraNMR to a range of molecular structure analysis tasks on experimental NMR spectra consistently yields state-of-the-art performance and clearly outperforms UltraNMR variants trained directly on downstream data without simulation pre-training. We also construct a large-scale NMR spectral vector library by encoding simulated NMR spectra using UltraNMR, covering 94 million unique molecules and enabling effective structure-aware retrieval. In real-world applications, UltraNMR facilitates the structural elucidation of two previously unknown natural products from Chinese herbal medicines recorded in the Chinese Pharmacopoeia. These results suggest that large-scale simulation pre-training can effectively bridge the simulation-to-real gap, enabling robust and generalizable molecular structure analysis of real-world NMR spectra.