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Haiyun Yang

Publications and source records attributed to Haiyun Yang.

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Position Paper: Unlocking the Potential of AI Researchers in Scientific Discovery-What Is Missing?

The potential of AI researchers in scientific discovery remains largely untapped. Over the past decade, AI for Science (AI4Science) publications in 145 Nature Index journals have increased fifteen-fold, yet they still account for less than 3% of the total publications. Drawing upon the Diffusion of Innovation theory, we project AI4Science's share of total publications to rise from 2.72% in 2024 to approximately 20% by 2050. Achieving this shift requires fully harnessing the potential of AI researchers, as nearly 95% of AI-driven research in these journals is led by experimental scientists. To facilitate this, we propose structured workflows and strategic interventions to position AI researchers at the forefront of scientific discovery. Specifically, we identify three critical pathways: equipping experimental scientists with accessible AI tools to amplify the impact of AI researchers, bridging cognitive and methodological gaps to enable more direct involvement in scientific discovery, and proactively fostering a thriving AI-driven scientific ecosystem. By addressing these challenges, we aim to empower AI researchers as key drivers of future scientific breakthroughs.

cs.CY

Curriculum-guided multimodal representation learning enables generalizable prediction of nanomaterial-protein interactions

Nanomaterial-protein interactions (NPI) are pivotal to realizing the therapeutic and diagnostic potential of nanomaterials. Although AI promises to accelerate mechanistic understanding and enable rational nanomaterial design, robust generalization to unseen nanomaterials or proteins remains unresolved. Here, we present CuMMI (curriculum-guided multimodal interaction model), a generalizable, explainable, and transferable model designed to infer NPI across complex biological settings. CuMMI leverages a self-constructed million-scale NPI dataset and adopts a multi-stage curriculum centered on human plasma, with progressively broader biofluid exposure to enhance data coverage and generalizability. By integrating protein sequence, structure, and a text-encoded experimental context of 37 features, CuMMI captures complementary material-specific, biochemical, and environmental information. Sample-level quality weights are assigned to ensure full utilization of available data while mitigating low-confidence and sparsely recorded entries. Ablation studies highlight the most influential tabular features, clarifying their contribution to the prediction. Through rigorous external validation across independence-preserving temporal, nanomaterial-held-out, and protein-held-out evaluations, our framework consistently achieves good performance (mean of five classification metrics exceeding 0.75), highlighting its robustness and generalizability to unseen data. Furthermore, fine-tuning on independent gold-nanoparticle data and a held-out protein subset further delivers better performance than training from scratch with substantially fewer samples. Together, our approach enables generalizable and transferable NPI prediction and may accelerate in vitro research and applications of nanomaterials.

cs.LG

Block the Label and Noise: An N-Gram Masked Speller for Chinese Spell Checking

Recently, Chinese Spell Checking(CSC), a task to detect erroneous characters in a sentence and correct them, has attracted extensive interest because of its wide applications in various NLP tasks. Most of the existing methods have utilized BERT to extract semantic information for CSC task. However, these methods directly take sentences with only a few errors as inputs, where the correct characters may leak answers to the model and dampen its ability to capture distant context; while the erroneous characters may disturb the semantic encoding process and result in poor representations. Based on such observations, this paper proposes an n-gram masking layer that masks current and/or surrounding tokens to avoid label leakage and error disturbance. Moreover, considering that the mask strategy may ignore multi-modal information indicated by errors, a novel dot-product gating mechanism is proposed to integrate the phonological and morphological information with semantic representation. Extensive experiments on SIGHAN datasets have demonstrated that the pluggable n-gram masking mechanism can improve the performance of prevalent CSC models and the proposed methods in this paper outperform multiple powerful state-of-the-art models.

cs.CL