Researcher profile

Xiao-yong Wei

Xiao-yong Wei contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate

Trust snapshot

Quick read

Trust 17 - UnverifiedVerification L1Unclaimed author
4works
0followers
3topics
4close collaborators

Actions

Decide how to stay connected

Follow researcher0

Identity and collaboration

How to connect with this researcher

Claiming links this public author record to a researcher profile and unlocks direct collaboration workflows.

Log in to claim

Direct collaboration

Open a focused conversation when the fit is right

Claim this author entity first to unlock direct invitations.

Research graph

See the researcher in context

Open full explorer

Inspect adjacent work, topics, institutions and collaborators without jumping out to a separate graph page.

Building this graph slice

BZPEER is loading the nearby papers, people, topics and institutions for this page.

Published work

4 published item(s)

preprint2026arXiv

MolViBench: Evaluating LLMs on Molecular Vibe Coding

Molecular Vibe Coding, a paradigm where chemists interact with LLMs to generate executable programs for molecular tasks, has emerged as a flexible alternative to chemical agents with predefined tools, enabling chemists to express arbitrarily complex, customized workflows. Unlike general coding tasks, molecular coding imposes a distinctive challenge that LLMs should jointly equip programming, molecular understanding, and domain-specific reasoning capabilities. However, existing benchmarks remain disconnected. General code generation benchmarks such as HumanEval and SWE-bench require no chemistry knowledge, while chemistry-focused benchmarks such as S^2-Bench and ChemCoTBench evaluate knowledge recall or property prediction rather than executable code generation. To bridge this gap, we introduce MolViBench, the first benchmark tailored for Molecular Vibe Coding. MolViBench comprises 358 curated tasks across five cognitive levels, ranging from single-API recall to end-to-end virtual screening pipeline design, spanning 12 real-world drug discovery workflows. To rigorously assess generated code, we also propose a multi-layered evaluation framework that combines type-aware output comparison and AST-based API-semantic fallback analysis, which jointly measures executability and chemical correctness. We systematically evaluate 9 frontier coding LLMs and compare three real-world Molecular Vibe Coding paradigms, providing a practical and fine-grained testbed for diagnosing LLMs' coding capabilities in AI-accelerated molecular discovery.

preprint2026arXiv

Self-Paced Learning for Images of Antinuclear Antibodies

Antinuclear antibody (ANA) testing is a crucial method for diagnosing autoimmune disorders, including lupus, Sjögren's syndrome, and scleroderma. Despite its importance, manual ANA detection is slow, labor-intensive, and demands years of training. ANA detection is complicated by over 100 coexisting antibody types, resulting in vast fluorescent pattern combinations. Although machine learning and deep learning have enabled automation, ANA detection in real-world clinical settings presents unique challenges as it involves multi-instance, multi-label (MIML) learning. In this paper, a novel framework for ANA detection is proposed that handles the complexities of MIML tasks using unaltered microscope images without manual preprocessing. Inspired by human labeling logic, it identifies consistent ANA sub-regions and assigns aggregated labels accordingly. These steps are implemented using three task-specific components: an instance sampler, a probabilistic pseudo-label dispatcher, and self-paced weight learning rate coefficients. The instance sampler suppresses low-confidence instances by modeling pattern confidence, while the dispatcher adaptively assigns labels based on instance distinguishability. Self-paced learning adjusts training according to empirical label observations. Our framework overcomes limitations of traditional MIML methods and supports end-to-end optimization. Extensive experiments on one ANA dataset and three public medical MIML benchmarks demonstrate the superiority of our framework. On the ANA dataset, our model achieves up to +7.0% F1-Macro and +12.6% mAP gains over the best prior method, setting new state-of-the-art results. It also ranks top-2 across all key metrics on public datasets, reducing Hamming loss and one-error by up to 18.2% and 26.9%, respectively. The source code can be accessed at https://github.com/fletcherjiang/ANA-SelfPacedLearning.

preprint2026arXiv

To Retrieve or To Think? An Agentic Approach for Context Evolution

Current context augmentation methods, such as retrieval-augmented generation, are essential for solving knowledge-intensive reasoning tasks. However, they typically adhere to a rigid, brute-force strategy that executes retrieval at every step. This indiscriminate approach not only incurs unnecessary computational costs but also degrades performance by saturating the context with irrelevant noise. To address these limitations, we introduce Agentic Context Evolution (ACE), a framework inspired by human metacognition that dynamically determines whether to seek new evidence or reason with existing knowledge. ACE employs a central orchestrator agent to make decisions strategically via majority voting. It aims to alternate between activating a retriever agent for external retrieval and a reasoner agent for internal analysis and refinement. By eliminating redundant retrieval steps, ACE maintains a concise and evolved context. Extensive experiments on challenging multi-hop QA benchmarks demonstrate that ACE significantly outperforms competitive baselines in accuracy while achieving efficient token consumption. Our work provides valuable insights into advancing context-evolved generation for complex, knowledge-intensive tasks.

preprint2022arXiv

Conceptor Learning for Class Activation Mapping

Class Activation Mapping (CAM) has been widely adopted to generate saliency maps which provides visual explanations for deep neural networks (DNNs). The saliency maps are conventionally generated by fusing the channels of the target feature map using a weighted average scheme. It is a weak model for the inter-channel relation, in the sense that it only models the relation among channels in a contrastive way (i.e., channels that play key roles in the prediction are given higher weights for them to stand out in the fusion). The collaborative relation, which makes the channels work together to provide cross reference, has been ignored. Furthermore, the model has neglected the intra-channel relation thoroughly.In this paper, we address this problem by introducing Conceptor learning into CAM generation. Conceptor leaning has been originally proposed to model the patterns of state changes in recurrent neural networks (RNNs). By relaxing the dependency of Conceptor learning to RNNs, we make Conceptor-CAM not only generalizable to more DNN architectures but also able to learn both the inter- and intra-channel relations for better saliency map generation. Moreover, we have enabled the use of Boolean operations to combine the positive and pseudo-negative evidences, which has made the CAM inference more robust and comprehensive. The effectiveness of Conceptor-CAM has been validated with both formal verifications and experiments on the dataset of the largest scale in literature. The experimental results show that Conceptor-CAM is compatible with and can bring significant improvement to all well recognized CAM-based methods, and has outperformed the state-of-the-art methods by 43.14%~72.79% (88.39%~168.15%) on ILSVRC2012 in Average Increase (Drop), 15.42%~42.55% (47.09%~372.09%) on VOC, and 17.43%~31.32% (47.54%~206.45%) on COCO, respectively.