Yu Wang

Jiying Zhang, Zijing Liu, Yu Wang et al.

Molecular representation learning has shown great success in advancing AI-based drug discovery. The core of many recent works is based on the fact that the 3D geometric structure of molecules provides essential information about their physical and chemical characteristics. Recently, denoising diffusion probabilistic models have achieved impressive performance in 3D molecular representation learning. However, most existing molecular diffusion models treat each atom as an independent entity, overlooking the dependency among atoms within the molecular substructures. This paper introduces a novel approach that enhances molecular representation learning by incorporating substructural information within the diffusion process. We propose a novel diffusion model termed SubGDiff for involving the molecular subgraph information in diffusion. Specifically, SubGDiff adopts three vital techniques: i) subgraph prediction, ii) expectation state, and iii) k-step same subgraph diffusion, to enhance the perception of molecular substructure in the denoising network. Experimentally, extensive downstream tasks demonstrate the superior performance of our approach. The code is available at https://github.com/youjibiying/SubGDiff.

Jiye Wang, Shiduo Yang, Jiayu Qin et al.

Autonomous LLM-based agents are increasingly engaging in decentralized service interactions to collaboratively execute complex tasks. However, the intrinsic instability and low-cost generativity of LLMs introduce a systemic vulnerability, where self-interested agents are incentivized to pursue short-term gains through deceptive behaviors. Such strategies can rapidly proliferate within the population and precipitate a systemic trust collapse. To address this, we propose Ev-Trust, a strategy-equilibrium trust mechanism grounded in evolutionary game theory. Ev-Trust constructs a dynamic feedback loop that couples trust evaluation with evolutionary incentives, embedding interaction history and reputation directly into the agent's expected revenue function. This mechanism fundamentally reshapes the revenue structure, converting trustworthiness into a decisive survival advantage that suppresses short-sightedness. We provide a rigorous theoretical foundation based on the Replicator Dynamics, proving the asymptotic stability of Evolutionary Stable Strategies (ESS) that favor cooperation. Experimental results indicate that Ev-Trust effectively eliminates malicious strategies and enhances collective revenue, exhibiting resilience against the invasion of mutant behaviors.

Haowei Zhu, Dehua Tang, Ji Liu et al.

Diffusion models have achieved remarkable progress in the field of image generation due to their outstanding capabilities. However, these models require substantial computing resources because of the multi-step denoising process during inference. While traditional pruning methods have been employed to optimize these models, the retraining process necessitates large-scale training datasets and extensive computational costs to maintain generalization ability, making it neither convenient nor efficient. Recent studies attempt to utilize the similarity of features across adjacent denoising stages to reduce computational costs through simple and static strategies. However, these strategies cannot fully harness the potential of the similar feature patterns across adjacent timesteps. In this work, we propose a novel pruning method that derives an efficient diffusion model via a more intelligent and differentiable pruner. At the core of our approach is casting the model pruning process into a SubNet search process. Specifically, we first introduce a SuperNet based on standard diffusion via adding some backup connections built upon the similar features. We then construct a plugin pruner network and design optimization losses to identify redundant computation. Finally, our method can identify an optimal SubNet through few-step gradient optimization and a simple post-processing procedure. We conduct extensive experiments on various diffusion models including Stable Diffusion series and DiTs. Our DiP-GO approach achieves 4.4 x speedup for SD-1.5 without any loss of accuracy, significantly outperforming the previous state-of-the-art methods.

Xin Mu, Yu Wang, Zhengan Huang et al.

In the rapidly growing digital economy, protecting intellectual property (IP) associated with digital products has become increasingly important. Within this context, machine learning (ML) models, being highly valuable digital assets, have gained significant attention for IP protection. This paper introduces a practical encryption-based framework called \textit{EncryIP}, which seamlessly integrates a public-key encryption scheme into the model learning process. This approach enables the protected model to generate randomized and confused labels, ensuring that only individuals with accurate secret keys, signifying authorized users, can decrypt and reveal authentic labels. Importantly, the proposed framework not only facilitates the protected model to multiple authorized users without requiring repetitive training of the original ML model with IP protection methods but also maintains the model's performance without compromising its accuracy. Compared to existing methods like watermark-based, trigger-based, and passport-based approaches, \textit{EncryIP} demonstrates superior effectiveness in both training protected models and efficiently detecting the unauthorized spread of ML models.

Jiamu Bai, Xin Yu, Meilong Xu et al.

Reinforcement learning from human feedback (RLHF) has proven effectiveness for aligning text-to-image (T2I) diffusion models with human preferences. Although Direct Preference Optimization (DPO) is widely adopted for its computational efficiency and avoidance of explicit reward modeling, its applications to diffusion models have primarily relied on pairwise preferences. The precise optimization of listwise preferences remains largely unaddressed. In practice, human feedback on image preferences often contains implicit ranked information, which conveys more precise human preferences than pairwise comparisons. In this work, we propose Diffusion-LPO, a simple and effective framework for Listwise Preference Optimization in diffusion models with listwise data. Given a caption, we aggregate user feedback into a ranked list of images and derive a listwise extension of the DPO objective under the Plackett-Luce model. Diffusion-LPO enforces consistency across the entire ranking by encouraging each sample to be preferred over all of its lower-ranked alternatives. We empirically demonstrate the effectiveness of Diffusion-LPO across various tasks, including text-to-image generation, image editing, and personalized preference alignment. Diffusion-LPO consistently outperforms pairwise DPO baselines on visual quality and preference alignment.