Xiao Wang

Bohao Xu, Yingzhou Lu, Chenhao Li et al.

In drug discovery, predicting the absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of small-molecule drugs is critical for ensuring safety and efficacy. However, the process of accurately predicting these properties is often resource-intensive and requires extensive experimental data. To address this challenge, we propose SMILES-Mamba, a two-stage model that leverages both unlabeled and labeled data through a combination of self-supervised pretraining and fine-tuning strategies. The model first pre-trains on a large corpus of unlabeled SMILES strings to capture the underlying chemical structure and relationships, before being fine-tuned on smaller, labeled datasets specific to ADMET tasks. Our results demonstrate that SMILES-Mamba exhibits competitive performance across 22 ADMET datasets, achieving the highest score in 14 tasks, highlighting the potential of self-supervised learning in improving molecular property prediction. This approach not only enhances prediction accuracy but also reduces the dependence on large, labeled datasets, offering a promising direction for future research in drug discovery.

Zhuxuanzi Wang, Mingqiao Mo, Xi Xiao et al.

Parameter-efficient fine-tuning (PEFT) has become the standard approach for adapting large language models under limited compute and memory budgets. Although previous methods improve efficiency through low-rank updates, quantization, or heuristic budget reallocation, they often decouple the allocation of capacity from the way updates evolve during training. In this work, we introduce CTR-LoRA, a framework guided by curvature trust region that integrates rank scheduling with stability-aware optimization. CTR-LoRA allocates parameters based on marginal utility derived from lightweight second-order proxies and constrains updates using a Fisher/Hessian-metric trust region. Experiments on multiple open-source backbones (7B-13B), evaluated on both in-distribution and out-of-distribution benchmarks, show consistent improvements over strong PEFT baselines. In addition to increased accuracy, CTR-LoRA enhances training stability, reduces memory requirements, and achieves higher throughput, positioning it on the Pareto frontier of performance and efficiency. These results highlight a principled path toward more robust and deployable PEFT.

Xi Xiao, Yunbei Zhang, Lin Zhao et al.

In computer vision, Visual Prompting (VP) and Visual Prompt Tuning (VPT) have recently emerged as lightweight and effective alternatives to full fine-tuning for adapting large-scale vision models within the ``pretrain-then-finetune'' paradigm. However, despite rapid progress, their conceptual boundaries remain blurred, as VP and VPT are frequently used interchangeably in current research, reflecting a lack of systematic distinction between these techniques and their respective applications. In this survey, we revisit the designs of VP and VPT from first principles, and conceptualize them within a unified framework termed Prompt-based Adaptation (PA). We provide a taxonomy that categorizes existing methods into learnable, generative, and non-learnable prompts, and further organizes them by injection granularity -- pixel-level and token-level. Beyond the core methodologies, we examine PA's integrations across diverse domains, including medical imaging, 3D point clouds, and vision-language tasks, as well as its role in test-time adaptation and trustworthy AI. We also summarize current benchmarks and identify key challenges and future directions. To the best of our knowledge, we are the first comprehensive survey dedicated to PA's methodologies and applications in light of their distinct characteristics. Our survey aims to provide a clear roadmap for researchers and practitioners in all area to understand and explore the evolving landscape of PA-related research.

Kexin Li, Luwei Bai, Xiao Wang et al.

Anderson acceleration is an effective technique for enhancing the efficiency of fixed-point iterations; however, analyzing its convergence in nonsmooth settings presents significant challenges. In this paper, we investigate a class of nonsmooth optimization algorithms characterized by the active manifold identification property. This class includes a diverse array of methods such as the proximal point method, proximal gradient method, proximal linear method, proximal coordinate descent method, Douglas-Rachford splitting (or the alternating direction method of multipliers), and the iteratively reweighted $\ell_1$ method, among others. Under the assumption that the optimization problem possesses an active manifold at a stationary point, we establish a local R-linear convergence rate for the Anderson-accelerated algorithm. Our extensive numerical experiments further highlight the robust performance of the proposed Anderson-accelerated methods.