Wei Duan

Wei Duan, Junyu Xuan, Maoying Qiao et al.

Graph Convolutional Neural Networks (GCNs) has been generally accepted to be an effective tool for node representations learning. An interesting way to understand GCNs is to think of them as a message passing mechanism where each node updates its representation by accepting information from its neighbours (also known as positive samples). However, beyond these neighbouring nodes, graphs have a large, dark, all-but forgotten world in which we find the non-neighbouring nodes (negative samples). In this paper, we show that this great dark world holds a substantial amount of information that might be useful for representation learning. Most specifically, it can provide negative information about the node representations. Our overall idea is to select appropriate negative samples for each node and incorporate the negative information contained in these samples into the representation updates. Moreover, we show that the process of selecting the negative samples is not trivial. Our theme therefore begins by describing the criteria for a good negative sample, followed by a determinantal point process algorithm for efficiently obtaining such samples. A GCN, boosted by diverse negative samples, then jointly considers the positive and negative information when passing messages. Experimental evaluations show that this idea not only improves the overall performance of standard representation learning but also significantly alleviates over-smoothing problems.

Wei Duan, Junyu Xuan, Maoying Qiao et al.

Graph convolutional networks (GCNs) have achieved great success in graph representation learning by extracting high-level features from nodes and their topology. Since GCNs generally follow a message-passing mechanism, each node aggregates information from its first-order neighbour to update its representation. As a result, the representations of nodes with edges between them should be positively correlated and thus can be considered positive samples. However, there are more non-neighbour nodes in the whole graph, which provide diverse and useful information for the representation update. Two non-adjacent nodes usually have different representations, which can be seen as negative samples. Besides the node representations, the structural information of the graph is also crucial for learning. In this paper, we used quality-diversity decomposition in determinant point processes (DPP) to obtain diverse negative samples. When defining a distribution on diverse subsets of all non-neighbouring nodes, we incorporate both graph structure information and node representations. Since the DPP sampling process requires matrix eigenvalue decomposition, we propose a new shortest-path-base method to improve computational efficiency. Finally, we incorporate the obtained negative samples into the graph convolution operation. The ideas are evaluated empirically in experiments on node classification tasks. These experiments show that the newly proposed methods not only improve the overall performance of standard representation learning but also significantly alleviate over-smoothing problems.

Xuan Cui, Huiyue Li, Run Zeng et al.

As large language models (LLMs) scale to billions of parameters, full-parameter fine-tuning becomes compute- and memory-prohibitive. Parameter-efficient fine-tuning (PEFT) mitigates this issue by updating only a small set of task-specific parameters while keeping the base model frozen. Among PEFT approaches, low-rank adaptation (LoRA) is widely adopted; however, it enforces a uniform rank across layers despite substantial variation in layer importance, motivating {layerwise} rank allocation. Recent adaptive-rank variants (e.g., AdaLoRA) allocate ranks based on importance scores, yet typically rely on instantaneous gradients that capture only local sensitivity, overlooking non-local, pathwise effects within the same layer, which yields unstable and biased scores. To address this limitation, we introduce IGU-LoRA, an adaptive-rank LoRA that (i) computes within-layer Integrated Gradients (IG) sensitivities and aggregates them into a layer-level score for rank allocation, and (ii) applies an uncertainty-aware scheme using exponential moving averages with deviation tracking to suppress noisy updates and calibrate rank selection. Theoretically, we prove an upper bound on the composite trapezoidal rule approximation error for parameter-space IG under a pathwise Hessian-Lipschitz condition, which informs the quadrature budget. Across diverse tasks and architectures, IGU-LoRA consistently outperforms strong PEFT baselines at matched parameter budgets, improving downstream accuracy and robustness. Ablations confirm the contributions of pathwise within-layer sensitivity estimates and uncertainty-aware selection to effective rank allocation. Our code is publicly available at https://github.com/withyou12/igulora.git

Xiaoyu Yang, En Yu, Wei Duan et al.

Reinforcement Fine-Tuning (RFT) has established itself as a critical paradigm for the alignment of Multi-modal Large Language Models (MLLMs) with complex human values and domain-specific requirements. Nevertheless, current research primarily focuses on mitigating exogenous distribution shifts arising from data-centric factors, the non-stationarity inherent in the endogenous reasoning remains largely unexplored. In this work, a critical vulnerability is revealed within MLLMs: they are highly susceptible to endogenous reasoning drift, across both thinking and perception perspectives. It manifests as unpredictable distribution changes that emerge spontaneously during the autoregressive generation process, independent of external environmental perturbations. To adapt it, we first theoretically define endogenous reasoning drift within the RFT of MLLMs as the multi-modal concept drift. In this context, this paper proposes Counterfactual Preference Optimization ++ (CPO++), a comprehensive and autonomous framework adapted to the multi-modal concept drift. It integrates counterfactual reasoning with domain knowledge to execute controlled perturbations across thinking and perception, employing preference optimization to disentangle spurious correlations. Extensive empirical evaluations across two highly dynamic and safety-critical domains: medical diagnosis and autonomous driving. They demonstrate that the proposed framework achieves superior performance in reasoning coherence, decision-making precision, and inherent robustness against extreme interference. The methodology also exhibits exceptional zero-shot cross-domain generalization, providing a principled foundation for reliable multi-modal reasoning in safety-critical applications.

Wei Duan, Junyu Xuan, En Yu et al.

Coordination graphs are a central abstraction in cooperative multi-agent reinforcement learning (MARL), yet existing sparse-graph learners lack a theoretically grounded mechanism to decide which edges should exist and how much information each edge should carry. Current methods rely on heuristic criteria that offer no formal guarantee on the learned topology, and no principled way to allocate different communication capacities to structurally different agent relationships. To address this, we propose Heterogeneous Information-Bottleneck Coordination Graphs (HIBCG), which learns a group-aware sparse graph in which both edge existence and message capacity are theoretically justified. With the graph information bottleneck (GIB) serving as the underlying tool, HIBCG first constructs a group-aligned block-diagonal prior that provides a closed-form criterion for edge retention -- determining which edges should exist and at what density per group block -- and then controls per-agent feature bandwidth on the resulting topology, compressing messages to retain only task-relevant content. We prove that the group-aligned prior strictly tightens the variational bound on topology learning, that the objective decomposes per group block, enabling differential edge control, and that capacity allocation follows a water-filling principle.

Xuan Cui, Yunfei Zhao, Bo Liu et al.

GAN-based facial attribute editing is widely used in virtual avatars and social media but often suffers from attribute entanglement, where modifying one face attribute unintentionally alters others. While supervised disentangled representation learning can address this, it relies heavily on labeled data, incurring high annotation costs. To address these challenges, we propose MD-Face, a label-free disentangled representation learning framework based on Mixture of Experts (MoE). MD-Face utilizes a MoE backbone with a gating mechanism that dynamically allocates experts, enabling the model to learn semantic vectors with greater independence. To further enhance attribute entanglement, we introduce a geometry-aware loss, which aligns each semantic vector with its corresponding Semantic Boundary Vector (SBV) through a Jacobian-based pushforward method. Experiments with ProGAN and StyleGAN show that MD-Face outperforms unsupervised baselines and competes with supervised ones. Compared to diffusion-based methods, it offers better image quality and lower inference latency, making it ideal for interactive editing.

Bo Liu, Xuan Cui, Run Zeng et al.

Latent space-based facial attribute editing methods have gained popularity in applications such as digital entertainment, virtual avatar creation, and human-computer interaction systems due to their potential for efficient and flexible attribute manipulation, particularly for continuous edits. Among these, unsupervised latent space-based methods, which discover effective semantic vectors without relying on labeled data, have attracted considerable attention in the research community. However, existing methods still encounter difficulties in disentanglement, as manipulating a specific facial attribute may unintentionally affect other attributes, complicating fine-grained controllability. To address these challenges, we propose a novel framework designed to offer an effective and adaptable solution for unsupervised facial attribute editing, called Unsupervised Facial Attribute Controllable Editing (U-Face). The proposed method frames semantic vector learning as a subspace learning problem, where latent vectors are approximated within a lower-dimensional semantic subspace spanned by a semantic vector matrix. This formulation can also be equivalently interpreted from a projection-reconstruction perspective and further generalized into an autoencoder framework, providing a foundation that can support disentangled representation learning in a flexible manner. To improve disentanglement and controllability, we impose orthogonal non-negative constraints on the semantic vectors and incorporate attribute boundary vectors to reduce entanglement in the learned directions. Although these constraints make the optimization problem challenging, we design an alternating iterative algorithm, called Alternating Iterative Disentanglement and Controllability (AIDC), with closed-form updates and provable convergence under specific conditions.

Wei Duan, Jie Lu, Junyu Xuan

Cooperative Multi-Agent Reinforcement Learning (MARL) necessitates seamless collaboration among agents, often represented by an underlying relation graph. Existing methods for learning this graph primarily focus on agent-pair relations, neglecting higher-order relationships. While several approaches attempt to extend cooperation modelling to encompass behaviour similarities within groups, they commonly fall short in concurrently learning the latent graph, thereby constraining the information exchange among partially observed agents. To overcome these limitations, we present a novel approach to infer the Group-Aware Coordination Graph (GACG), which is designed to capture both the cooperation between agent pairs based on current observations and group-level dependencies from behaviour patterns observed across trajectories. This graph is further used in graph convolution for information exchange between agents during decision-making. To further ensure behavioural consistency among agents within the same group, we introduce a group distance loss, which promotes group cohesion and encourages specialization between groups. Our evaluations, conducted on StarCraft II micromanagement tasks, demonstrate GACG's superior performance. An ablation study further provides experimental evidence of the effectiveness of each component of our method.

Wei Duan, Jie Lu, Yu Guang Wang et al.

Graph neural networks (GNNs) are a powerful solution for various structure learning applications due to their strong representation capabilities for graph data. However, traditional GNNs, relying on message-passing mechanisms that gather information exclusively from first-order neighbours (known as positive samples), can lead to issues such as over-smoothing and over-squashing. To mitigate these issues, we propose a layer-diverse negative sampling method for message-passing propagation. This method employs a sampling matrix within a determinantal point process, which transforms the candidate set into a space and selectively samples from this space to generate negative samples. To further enhance the diversity of the negative samples during each forward pass, we develop a space-squeezing method to achieve layer-wise diversity in multi-layer GNNs. Experiments on various real-world graph datasets demonstrate the effectiveness of our approach in improving the diversity of negative samples and overall learning performance. Moreover, adding negative samples dynamically changes the graph's topology, thus with the strong potential to improve the expressiveness of GNNs and reduce the risk of over-squashing.

Wei Duan, Jie Lu, Junyu Xuan

Effective agent coordination is crucial in cooperative Multi-Agent Reinforcement Learning (MARL). While agent cooperation can be represented by graph structures, prevailing graph learning methods in MARL are limited. They rely solely on one-step observations, neglecting crucial historical experiences, leading to deficient graphs that foster redundant or detrimental information exchanges. Additionally, high computational demands for action-pair calculations in dense graphs impede scalability. To address these challenges, we propose inferring a Latent Temporal Sparse Coordination Graph (LTS-CG) for MARL. The LTS-CG leverages agents' historical observations to calculate an agent-pair probability matrix, where a sparse graph is sampled from and used for knowledge exchange between agents, thereby simultaneously capturing agent dependencies and relation uncertainty. The computational complexity of this procedure is only related to the number of agents. This graph learning process is further augmented by two innovative characteristics: Predict-Future, which enables agents to foresee upcoming observations, and Infer-Present, ensuring a thorough grasp of the environmental context from limited data. These features allow LTS-CG to construct temporal graphs from historical and real-time information, promoting knowledge exchange during policy learning and effective collaboration. Graph learning and agent training occur simultaneously in an end-to-end manner. Our demonstrated results on the StarCraft II benchmark underscore LTS-CG's superior performance.

Wei Duan, Jie Lu, En Yu et al.

Graph-based multi-agent reinforcement learning (MARL) enables coordinated behavior under partial observability by modeling agents as nodes and communication links as edges. While recent methods excel at learning sparse coordination graphs-determining who communicates with whom-they do not address what information should be transmitted under hard bandwidth constraints. We study this bandwidth-limited regime and show that naive dimensionality reduction consistently degrades coordination performance. Hard bandwidth constraints force selective encoding, but deterministic projections lack mechanisms to control how compression occurs. We introduce Bandwidth-constrained Variational Message Encoding (BVME), a lightweight module that treats messages as samples from learned Gaussian posteriors regularized via KL divergence to an uninformative prior. BVME's variational framework provides principled, tunable control over compression strength through interpretable hyperparameters, directly constraining the representations used for decision-making. Across SMACv1, SMACv2, and MPE benchmarks, BVME achieves comparable or superior performance while using 67--83% fewer message dimensions, with gains most pronounced on sparse graphs where message quality critically impacts coordination. Ablations reveal U-shaped sensitivity to bandwidth, with BVME excelling at extreme ratios while adding minimal overhead.

Wei Duan, Jie Lu, Junyu Xuan

In networked multi-agent reinforcement learning (Networked-MARL), decentralized agents must act under local observability and constrained communication over fixed physical graphs. Existing methods often assume static neighborhoods, limiting adaptability to dynamic or heterogeneous environments. While centralized frameworks can learn dynamic graphs, their reliance on global state access and centralized infrastructure is impractical in real-world decentralized systems. We propose a stochastic graph-based policy for Networked-MARL, where each agent conditions its decision on a sampled subgraph over its local physical neighborhood. Building on this formulation, we introduce BayesG, a decentralized actor-framework that learns sparse, context-aware interaction structures via Bayesian variational inference. Each agent operates over an ego-graph and samples a latent communication mask to guide message passing and policy computation. The variational distribution is trained end-to-end alongside the policy using an evidence lower bound (ELBO) objective, enabling agents to jointly learn both interaction topology and decision-making strategies. BayesG outperforms strong MARL baselines on large-scale traffic control tasks with up to 167 agents, demonstrating superior scalability, efficiency, and performance.

Wei Duan, Li Qian

The rise of conversational interfaces has greatly enhanced LLM usability by leveraging dialogue history for sophisticated reasoning. However, this reliance introduces an unexplored attack surface. This paper introduces Trojan Horse Prompting, a novel jailbreak technique. Adversaries bypass safety mechanisms by forging the model's own past utterances within the conversational history provided to its API. A malicious payload is injected into a model-attributed message, followed by a benign user prompt to trigger harmful content generation. This vulnerability stems from Asymmetric Safety Alignment: models are extensively trained to refuse harmful user requests but lack comparable skepticism towards their own purported conversational history. This implicit trust in its "past" creates a high-impact vulnerability. Experimental validation on Google's Gemini-2.0-flash-preview-image-generation shows Trojan Horse Prompting achieves a significantly higher Attack Success Rate (ASR) than established user-turn jailbreaking methods. These findings reveal a fundamental flaw in modern conversational AI security, necessitating a paradigm shift from input-level filtering to robust, protocol-level validation of conversational context integrity.

Hui Liu, Wei Duan, Judong Luo

The advancement of single-cell sequencing technology has promoted the generation of a large amount of single-cell transcriptional profiles, providing unprecedented opportunities to identify drug-resistant cell subpopulations within a tumor. However, few studies have focused on drug response prediction at single-cell level, and their performance remains suboptimal. This paper proposed scAdaDrug, a novel multi-source domain adaptation model powered by adaptive importance-aware representation learning to predict drug response of individual cells. We used a shared encoder to extract domain-invariant features related to drug response from multiple source domains by utilizing adversarial domain adaptation. Particularly, we introduced a plug-and-play module to generate importance-aware and mutually independent weights, which could adaptively modulate the latent representation of each sample in element-wise manner between source and target domains. Extensive experimental results showed that our model achieved state-of-the-art performance in predicting drug response on multiple independent datasets, including single-cell datasets derived from both cell lines and patient-derived xenografts (PDX) models, as well as clinical tumor patient cohorts. Moreover, the ablation experiments demonstrated our model effectively captured the underlying patterns determining drug response from multiple source domains.