Wei Liu

Fan Xu, Zhi-an Huang, Haohuai He et al.

Accurate prediction of antibody-antigen binding affinity is fundamental to therapeutic design, yet remains constrained by severe label sparsity and the complexity of antigenic variations. In this paper, we propose AbLWR (Antibody-antigen binding affinity List-Wise Ranking), a novel framework that reformulates the conventional affinity regression task as a listwise ranking problem. To mitigate label sparsity, AbLWR incorporates a PU (Positive-Unlabeled) learning mechanism leveraging a dual-level contrastive objective and meta-optimized label refinement to learn robust representations. Furthermore, we address antigenic variation by employing a homologous antigen sampling strategy where Multi-Head Self-Attention (MHSA) explicitly models inter-sample relationships within training lists to capture subtle affinity nuances. Extensive experiments demonstrate that AbLWR significantly outperforms state-of-the-art baselines, improving the Precision@1 (P@1) by over 10$\%$ in randomized cross-validation experiments. Notably, case studies on Influenza and IL-33 validate its practical utility, demonstrating robust ranking consistency in distinguishing subtle viral mutations and efficiently prioritizing top-tier candidates for wet-lab screening.

Mengieong Hoi, Zhedong Zheng, Ping Liu et al.

Deepfake content on social networks is increasingly produced through multiple \emph{sequential} edits to biometric data such as facial imagery. Consequently, the final appearance of an image often reflects a latent chain of operations rather than a single manipulation. Recovering these editing histories is essential for visual provenance analysis, misinformation auditing, and forensic or platform moderation workflows that must trace the origin and evolution of AI-generated media. However, existing datasets predominantly focus on single-step editing and overlook the cumulative artifacts introduced by realistic multi-step pipelines. To address this gap, we introduce Sequential Editing in Diffusion (\textbf{SEED}), a large-scale benchmark for sequential provenance tracing in facial imagery. SEED contains over 90K images constructed via one to four sequential attribute edits using diffusion-based editing pipelines, with fine-grained annotations including edit order, textual instructions, manipulation masks, and generation models. These metadata enable step-wise evidence analysis and support forgery detection, sequence prediction. To benchmark the challenges posed by SEED, we evaluate representative analysis strategies and observe that spatial-only approaches struggle under subtle and distributed diffusion artifacts, especially when such artifacts accumulate across multiple edits. Motivated by this observation, we further establish \textbf{FAITH}, a frequency-aware Transformer baseline that aggregates spatial and frequency-domain cues to identify and order latent editing events. Results show that high-frequency signals, particularly wavelet components, provide effective cues even under image degradation. Overall, SEED facilitates systematic study of sequential provenance tracing and evidence aggregation for trustworthy analysis of AI-generated visual content.

Wei Liu, Anweshit Panda, Ujwal Pandey et al.

In the decentralized distributed learning, achieving fast convergence and low communication cost is essential for scalability and high efficiency. Adaptive gradient methods, such as Adam, have demonstrated strong practical performance in deep learning and centralized distributed settings. However, their convergence properties remain largely unexplored in decentralized settings involving multiple local training steps, such as federated learning. To address this limitation, we propose LoDAdaC, a unified multiple Local Training (MLT) Decentralized framework with Adam-type updates and Compressed communication (CC). LoDAdaC accommodates a broad class of optimizers for its local adaptive updates, including AMSGrad, Adam, and AdaGrad; it is compatible with standard (possibly biased) compressors such as low-bit quantization and sparsification. MLT and CC enable LoDAdaC to achieve multiplied reduction of communication cost, while the technique of adaptive updates enables fast convergence. We rigorously prove the combined advantage through complexity analysis. In addition, experiments on image classification and GPT-style language model training validate our theoretical findings and show that LoDAdaC significantly outperforms existing decentralized algorithms in terms of convergence speed and communication efficiency.

Geyan Ye, Xibao Cai, Houtim Lai et al.

Recently, the impressive performance of large language models (LLMs) on a wide range of tasks has attracted an increasing number of attempts to apply LLMs in drug discovery. However, molecule optimization, a critical task in the drug discovery pipeline, is currently an area that has seen little involvement from LLMs. Most of existing approaches focus solely on capturing the underlying patterns in chemical structures provided by the data, without taking advantage of expert feedback. These non-interactive approaches overlook the fact that the drug discovery process is actually one that requires the integration of expert experience and iterative refinement. To address this gap, we propose DrugAssist, an interactive molecule optimization model which performs optimization through human-machine dialogue by leveraging LLM's strong interactivity and generalizability. DrugAssist has achieved leading results in both single and multiple property optimization, simultaneously showcasing immense potential in transferability and iterative optimization. In addition, we publicly release a large instruction-based dataset called MolOpt-Instructions for fine-tuning language models on molecule optimization tasks. We have made our code and data publicly available at https://github.com/blazerye/DrugAssist, which we hope to pave the way for future research in LLMs' application for drug discovery.

Haonan Wang, Mingjia Zhao, Junfeng Sun et al.

As AI technology advances, research in playing text-based games with agents has becomeprogressively popular. In this paper, a novel approach to agent design and agent learning ispresented with the context of reinforcement learning. A model of deep learning is first applied toprocess game text and build a world model. Next, the agent is learned through a policy gradient-based deep reinforcement learning method to facilitate conversion from state value to optimal policy.The enhanced agent works better in several text-based game experiments and significantlysurpasses previous agents on game completion ratio and win rate. Our study introduces novelunderstanding and empirical ground for using reinforcement learning for text games and sets thestage for developing and optimizing reinforcement learning agents for more general domains andproblems.

Xin Xu, Chaoyue Ren, Wei Liu et al.

The Federated Domain Generalization for Person re-identification (FedDG-ReID) aims to learn a global server model that can be effectively generalized to source and target domains through distributed source domain data. Existing methods mainly improve the diversity of samples through style transformation, which to some extent enhances the generalization performance of the model. However, we discover that not all styles contribute to the generalization performance. Therefore, we define styles that are beneficial or harmful to the model's generalization performance as positive or negative styles. Based on this, new issues arise: How to effectively screen and continuously utilize the positive styles. To solve these problems, we propose a Style Screening and Continuous Utilization (SSCU) framework. Firstly, we design a Generalization Gain-guided Dynamic Style Memory (GGDSM) for each client model to screen and accumulate generated positive styles. Meanwhile, we propose a style memory recognition loss to fully leverage the positive styles memorized by Memory. Furthermore, we propose a Collaborative Style Training (CST) strategy to make full use of positive styles. Unlike traditional learning strategies, our approach leverages both newly generated styles and the accumulated positive styles stored in memory to train client models on two distinct branches. This training strategy is designed to effectively promote the rapid acquisition of new styles by the client models, and guarantees the continuous and thorough utilization of positive styles, which is highly beneficial for the model's generalization performance. Extensive experimental results demonstrate that our method outperforms existing methods in both the source domain and the target domain.

Bin Wu, Qiang Fu, Jing Liang et al.

The next challenge of game AI lies in Real Time Strategy (RTS) games. RTS games provide partially observable gaming environments, where agents interact with one another in an action space much larger than that of GO. Mastering RTS games requires both strong macro strategies and delicate micro level execution. Recently, great progress has been made in micro level execution, while complete solutions for macro strategies are still lacking. In this paper, we propose a novel learning-based Hierarchical Macro Strategy model for mastering MOBA games, a sub-genre of RTS games. Trained by the Hierarchical Macro Strategy model, agents explicitly make macro strategy decisions and further guide their micro level execution. Moreover, each of the agents makes independent strategy decisions, while simultaneously communicating with the allies through leveraging a novel imitated cross-agent communication mechanism. We perform comprehensive evaluations on a popular 5v5 Multiplayer Online Battle Arena (MOBA) game. Our 5-AI team achieves a 48% winning rate against human player teams which are ranked top 1% in the player ranking system.