arXiv subjects

Wenyang Wang

Publications and source records attributed to Wenyang Wang.

4 recordsLinked to original sources

arXiv2026

Drug Synergy Prediction via Residual Graph Isomorphism Networks and Attention Mechanisms

In the treatment of complex diseases, treatment regimens using a single drug often yield limited efficacy and can lead to drug resistance. In contrast, combination drug therapies can significantly improve therapeutic outcomes through synergistic effects. However, experimentally validating all possible drug combinations is prohibitively expensive, underscoring the critical need for efficient computational prediction methods. Although existing approaches based on deep learning and graph neural networks (GNNs) have made considerable progress, challenges remain in reducing structural bias, improving generalization capability, and enhancing model interpretability. To address these limitations, this paper proposes a collaborative prediction graph neural network that integrates molecular structural features and cell-line genomic profiles with drug-drug interactions to enhance the prediction of synergistic effects. We introduce a novel model named the Residual Graph Isomorphism Network integrated with an Attention mechanism (ResGIN-Att). The model first extracts multi scale topological features of drug molecules using a residual graph isomorphism network, where residual connections help mitigate over-smoothing in deep layers. Subsequently, an adaptive Long Short-Term Memory (LSTM) module fuses structural information from local to global scales. Finally, a cross-attention module is designed to explicitly model drug-drug interactions and identify key chemical substructures. Extensive experiments on five public benchmark datasets demonstrate that ResGIN-Att achieves competitive performance, comparing favorably against key baseline methods while exhibiting promising generalization capability and robustness.

cs.LG↗

arXiv2026

Structured Scaling of AI Discovery Across Diverse Scientific Domains

Scientific discovery often requires many cycles of proposing, testing, and refining candidate solutions. Language models can increasingly participate in these loops, but simply generating more attempts does not ensure progress: parallel searches may duplicate one another and iterative refinement may become trapped in poor directions. The central challenge is therefore not only to scale AI-driven discovery, but to structure that scaling so that evaluation signals compound over time. Here we introduce SimpleTES (Simple Test-time Evaluation-driven Scaling), a framework that focuses on the structured scaling of AI discovery loops, organizing evaluator queries across independent trajectories, iterative refinement, local candidate selection, and the selective reuse of evaluated histories. Drawing on structural features of scientific communities, SimpleTES uses a single open-source GPT-OSS model to establish new state-of-the-art solutions across 28 open-ended problems in diverse scientific domains ranging from quantum physics and astronomy to biology, AI, and mathematics. These include a 24.5% reduction in quantum circuit compilation overhead, up to 23% lower propulsive cost for deep-space trajectories, a 2.17x faster lasso-path solver, an 8.5% lower-error whole-brain neural-activity predictor, the fastest reported TriMul kernel, and new mathematical constructions beyond prior human or AI records. We further post-train the model for long-horizon discovery by assigning each attempt the final outcome of the trajectory it helped produce. This improves performance on both training and held-out mathematics problems, further advancing the frontier. Together, these results establish structured scaling as a general mechanism for advancing AI scientific discovery.

cs.LG↗

arXiv2025

EndoIR: Degradation-Agnostic All-in-One Endoscopic Image Restoration via Noise-Aware Routing Diffusion

Endoscopic images often suffer from diverse and co-occurring degradations such as low lighting, smoke, and bleeding, which obscure critical clinical details. Existing restoration methods are typically task-specific and often require prior knowledge of the degradation type, limiting their robustness in real-world clinical use. We propose EndoIR, an all-in-one, degradation-agnostic diffusion-based framework that restores multiple degradation types using a single model. EndoIR introduces a Dual-Domain Prompter that extracts joint spatial-frequency features, coupled with an adaptive embedding that encodes both shared and task-specific cues as conditioning for denoising. To mitigate feature confusion in conventional concatenation-based conditioning, we design a Dual-Stream Diffusion architecture that processes clean and degraded inputs separately, with a Rectified Fusion Block integrating them in a structured, degradation-aware manner. Furthermore, Noise-Aware Routing Block improves efficiency by dynamically selecting only noise-relevant features during denoising. Experiments on SegSTRONG-C and CEC datasets demonstrate that EndoIR achieves state-of-the-art performance across multiple degradation scenarios while using fewer parameters than strong baselines, and downstream segmentation experiments confirm its clinical utility.

eess.IV↗

arXiv2022

Fully Bayesian Analysis of the Relevance Vector Machine Classification for Imbalanced Data

Relevance Vector Machine (RVM) is a supervised learning algorithm extended from Support Vector Machine (SVM) based on the Bayesian sparsity model. Compared with the regression problem, RVM classification is difficult to be conducted because there is no closed-form solution for the weight parameter posterior. Original RVM classification algorithm used Newton's method in optimization to obtain the mode of weight parameter posterior then approximated it by a Gaussian distribution in Laplace's method. It would work but just applied the frequency methods in a Bayesian framework. This paper proposes a Generic Bayesian approach for the RVM classification. We conjecture that our algorithm achieves convergent estimates of the quantities of interest compared with the nonconvergent estimates of the original RVM classification algorithm. Furthermore, a Fully Bayesian approach with the hierarchical hyperprior structure for RVM classification is proposed, which improves the classification performance, especially in the imbalanced data problem. By the numeric studies, our proposed algorithms obtain high classification accuracy rates. The Fully Bayesian hierarchical hyperprior method outperforms the Generic one for the imbalanced data classification.

stat.ML↗