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Nanyang Ye

Nanyang Ye contributes to research discovery and scholarly infrastructure.

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Computer Vision Machine Learning Artificial Intelligence math.OC

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preprint2026arXiv

Logit-Attention Divergence: Mitigating Position Bias in Multi-Image Retrieval via Attention-Guided Calibration

Multimodal Large Language Models (MLLMs) have shown strong performance in multi-image cross-modal retrieval, yet suffer from severe position bias, where predictions are dominated by input order rather than semantic relevance. Through empirical analysis, we identify a phenomenon termed Logit-Attention Divergence, in which output logits are heavily biased while internal attention maps remain well-aligned with relevant visual evidence. This observation reveals a fundamental limitation of existing logit-level calibration methods such as PriDe. Based on this insight, we propose a training-free, attention-guided debiasing framework that leverages intrinsic attention signals for instance-level correction at inference time, requiring only a minimal calibration set with negligible computational overhead. Experiments on MS-COCO-based benchmarks show that our method substantially improves permutation invariance and achieves state-of-the-art performance, enhancing accuracy by over 40\% compared to baselines. Code is available at https://github.com/brightXian/LAD.

preprint2026arXiv

TINS: Test-time ID-prototype-separated Negative Semantics Learning for OOD Detection

Vision-language models enable OOD detection by comparing image alignment with ID labels and negative semantics. Existing negative-label-based methods mainly rely on static negative labels constructed before inference, limiting their ability to cover diverse and evolving OOD concepts. Although test-time expansion provides a natural solution, naively learning negative semantics from potential OOD samples may introduce hard ID contamination. To address this issue, we propose a \textbf{T}est-time \textbf{I}D-prototype-separated \textbf{N}egative \textbf{S}emantics learning method, termed \textbf{TINS}. TINS learns sample-specific negative text embeddings via image-to-text modality inversion and introduces ID-prototype-separated regularization to keep them separated from ID semantics. To further stabilize negative semantics expansion, TINS employs group-wise aggregation scoring and a buffer update strategy. Extensive experiments across Four-OOD, OpenOOD, Temporal-shift, and Various ID settings show consistent improvements over strong baselines. Notably, on the Four-OOD benchmark with ImageNet-1K as ID, TINS reduces the average FPR95 from 14.04\% to 6.72\%. Our code is available at https://github.com/zxk1212/tins.

preprint2026arXiv

Unleashing LLMs in Bayesian Optimization: Preference-Guided Framework for Scientific Discovery

Scientific discovery is increasingly constrained by costly experiments and limited resources, underscoring the need for efficient optimization in AI for science. Bayesian Optimization (BO), though widely adopted for balancing exploration and exploitation, often exhibits slow cold-start performance and poor scalability in high-dimensional settings, limiting its applicability in real-world scientific problems. To overcome these challenges, we propose LLM-Guided Bayesian Optimization (LGBO), the first LLM preference-guided BO framework that continuously integrates the semantic reasoning of large language models (LLMs) into the optimization loop. Unlike prior works that use LLMs only for warm-start initialization or candidate generation, LGBO introduces a region-lifted preference mechanism that embeds LLM-driven preferences into every iteration, shifting the surrogate mean in a stable and controllable way. Theoretically, we prove that LGBO does not perform significantly worse than standard BO in the worst case, while achieving significantly faster convergence when preferences align with the objective. Empirically, LGBO consistently outperforms existing methods across diverse dry benchmarks in physics, chemistry, biology, and materials science. Most notably, in a new wet-lab optimization of Fe-Cr battery electrolytes, LGBO attains \textbf{90\% of the best observed value within 6 iterations}, whereas standard BO and existing LLM-augmented baselines require more than 10. Together, these results suggest that LGBO offers a promising direction for integrating LLMs into scientific optimization workflows.

preprint2022arXiv

OoD-Bench: Quantifying and Understanding Two Dimensions of Out-of-Distribution Generalization

Deep learning has achieved tremendous success with independent and identically distributed (i.i.d.) data. However, the performance of neural networks often degenerates drastically when encountering out-of-distribution (OoD) data, i.e., when training and test data are sampled from different distributions. While a plethora of algorithms have been proposed for OoD generalization, our understanding of the data used to train and evaluate these algorithms remains stagnant. In this work, we first identify and measure two distinct kinds of distribution shifts that are ubiquitous in various datasets. Next, through extensive experiments, we compare OoD generalization algorithms across two groups of benchmarks, each dominated by one of the distribution shifts, revealing their strengths on one shift as well as limitations on the other shift. Overall, we position existing datasets and algorithms from different research areas seemingly unconnected into the same coherent picture. It may serve as a foothold that can be resorted to by future OoD generalization research. Our code is available at https://github.com/ynysjtu/ood_bench.

preprint2020arXiv

Achieving Adversarial Robustness via Sparsity

Network pruning has been known to produce compact models without much accuracy degradation. However, how the pruning process affects a network's robustness and the working mechanism behind remain unresolved. In this work, we theoretically prove that the sparsity of network weights is closely associated with model robustness. Through experiments on a variety of adversarial pruning methods, we find that weights sparsity will not hurt but improve robustness, where both weights inheritance from the lottery ticket and adversarial training improve model robustness in network pruning. Based on these findings, we propose a novel adversarial training method called inverse weights inheritance, which imposes sparse weights distribution on a large network by inheriting weights from a small network, thereby improving the robustness of the large network.

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