Federated Rank Learning (FRL) is a promising Federated Learning (FL) paradigm designed to be resilient against model poisoning attacks due to its discrete, ranking-based update mechanism. Unlike traditional FL methods that rely on model updates, FRL leverages discrete rankings as a communication parameter between clients and the server. This approach significantly reduces communication costs and limits an adversary's ability to scale or optimize malicious updates in the continuous space, thereby enhancing its robustness. This makes FRL particularly appealing for applications where system security and data privacy are crucial, such as web-based auction and bidding platforms. While FRL substantially reduces the attack surface, we demonstrate that it remains vulnerable to a new class of local model poisoning attack, i.e., fine-grained control attacks. We introduce the Edge Control Attack (ECA), the first fine-grained control attack tailored to ranking-based FL frameworks. Unlike conventional denial-of-service (DoS) attacks that cause conspicuous disruptions, ECA enables an adversary to precisely degrade a competitor's accuracy to any target level while maintaining a normal-looking convergence trajectory, thereby avoiding detection. ECA operates in two stages: (i) identifying and manipulating Ascending and Descending Edges to align the global model with the target model, and (ii) widening the selection boundary gap to stabilize the global model at the target accuracy. Extensive experiments across seven benchmark datasets and nine Byzantine-robust aggregation rules (AGRs) show that ECA achieves fine-grained accuracy control with an average error of only 0.224%, outperforming the baseline by up to 17×. Our findings highlight the need for stronger defenses against advanced poisoning attacks.
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Graph generation underlies many critical applications, from social network modeling to knowledge graph reasoning. Across these diverse domains, many graphs are rationale–dominated : a small, semantically meaningful subgraph determines the property of interest, while the remaining edges contribute largely noisy variation. Despite the significance of this inherent structure, existing generative methods often fail to preserve these task–critical substructures. We introduce RARD (Rationale-first blockwise AutoRegressive Diffusion), a topology-guided framework that learns to separate and prioritize the rationale. RARD employs a persistent-homology-based learning objective to discover an optimal graph filtration, an edge ordering that explicitly separates rationale from noise. Building upon this learned filtration, RARD generates graphs blockwise: it adds filtration-aligned blocks autoregressively and refines each new block with a shared local discrete diffusion module, ensuring the rationale appears early while peripheral structure is added later. We provide theoretical analysis showing that maximizing the topological gap yields rationale-first ordering and collapses to a two-level filtration. Comprehensive experiments across seven benchmarks demonstrate that RARD achieves state-of-the-art performance on widely used metrics.
Identification of Influential Node Group in Attributed Graph through Explaining Graph Neural Network
Identification of influential groups of nodes in attributed graphs has applications in a wide range of real-world problems, for instance, collecting important proceedings in citation networks, or identifying essential genes for diagnosing disease in Protein-Protein Interaction networks. Previous approaches for influence maximization manipulated on the graph structure, despite their proliferation, neglect the node attribute information containing additional knowledge. In this work, we introduce Global Graph UNderstanding (GGUN), a perturbation-based framework leveraging the explanatory power of Graph Neural Networks. It takes into account the entire graph structure and node attributes simultaneously and fuses knowledge through GNN layers. Following the perturbation-based explanation, GGUN fills the gap between Deep Neural Network gradient-based feature importance analysis and discrete structure in the graph, which is formulated as a combinatorial optimization problem. Moreover, GGUN obtains an efficient solution by relaxing the infeasible combinatorial optimization problem with performance guaranteed. Evaluations of synthetic and real-world datasets show that GGUN outperforms baselines on both quantitative metrics and human-intelligible analysis.
Time series forecasting plays a vital role in supporting decision-making across a wide range of critical applications, including energy, healthcare, and finance. Despite recent advances, forecasting accuracy remains limited due to the challenge of integrating historical numerical sequences with contextual features, which often comprise unstructured textual data. To address this challenge, we propose TokenCast, a large language model (LLM) driven framework that leverages language-based symbolic representations as a unified intermediary for context-aware time series forecasting. Specifically, TokenCast employs a discrete tokenizer to transform continuous numerical sequences into temporal tokens, enabling structural alignment with language-based inputs. To effectively bridge the semantic gap between modalities, both temporal and contextual tokens are embedded into a shared representation space via a pre-trained LLM, further optimized with generative objectives. Building upon this unified semantic space, the aligned LLM is subsequently fine-tuned in a supervised manner to predict future temporal tokens, which are then decoded back into the original numerical space. Extensive experiments on real-world datasets demonstrate the effectiveness of our framework and highlight its potential as a generative framework for context-aware time series forecasting. The code is available at https://github.com/Xiaoyu-Tao/TokenCast.
Understanding how information or influence propagates through a network, such as during an epidemic outbreak or the spread of misinformation, is a fundamental yet challenging problem. While prior works have focused on cascade prediction (forecasting future infected nodes), network inference (recovering latent global diffusion graphs), or source localization (identifying diffusion's origin), these approaches do not recover the actual "who-infected-whom" propagation tree for a specific diffusion instance. We introduce DIPT (Deep Identification of Propagation Trees), a probabilistic framework that infers propagation trees from final observed node diffusion states, without knowledge of the underlying diffusion mechanism. DIPT models local influence strengths between nodes and uses a discrete-continuous alternating optimization strategy to jointly learn the diffusion mechanism and infer the propagation structure. Empirical results across eight real-world datasets demonstrate that DIPT consistently outperforms existing approaches in reconstructing propagation trees.
Spectral relaxation is widely used for large-scale combinatorial optimization due to its computational efficiency. Yet its effectiveness depends critically on the choice of graph normalization, a design decision typically made heuristically. Here, we show that normalization can be treated as a continuous optimization variable rather than a fixed preprocessing choice. Our method, Differentiable Spectral Normalization (DSN), parameterizes the spectral relaxation through a diagonal metric and maximizes the resulting lower bound via projected gradient ascent. Exact gradients are obtained through the Hellmann-Feynman theorem using only the principal eigenpair, maintaining linear complexity per iteration. On benchmark instances ranging from 10^3 to 8.4 x 10^6 nodes, DSN improves solution quality by 3-15% over static spectral methods. Its performance comes within 1-3% of state-of-the-art metaheuristics, such as simulated annealing, at up to 190x lower computational cost on large-scale instances. These results suggest that learning problem-specific relaxation geometry can substantially close the gap between spectral scalability and metaheuristic solution quality.
Our work evolves around Fictitious Play, one of the first iterative methods that is known to converge to a Nash equilibrium in zero-sum games. In recent years, there has been a revived interest, due to applications in various machine learning problems, which has motivated a line of work on its convergence properties and on proposing new variants of the initial algorithm. Our paper is along this direction and introduces one new variant, which we refer to as Almost Greedy Fictitious Play. The proposed algorithm greedily attempts to find the optimal stepsize at each iteration but its search space is constrained and includes almost all the line between the cumulative mixed strategy and the current best response. Our main result is that the method achieves an instance dependent convergence rate of O(1/T) with respect to the duality gap. This matches the rate of Continuous Fictitious Play, and offers an alternative to discretization. We complement our theoretical findings with experiments that demonstrate the effectiveness of the method.
Zero-shot transfer for offline reinforcement learning involves generalizing to a wide range of tasks that are often risk-sensitive, without new interaction. We show here that although Successor Features (SFs) provide a principled framework for transfer through abstracting dynamics from rewards, their typical form is restricted to expected cumulative returns and is thus indifferent to variance in returns. We contend that such a mean-centric approach introduces bias by conflating risky and safe trajectories with identical expected outcomes, as it ignores outcome dispersion critical for risk-aware evaluation. Additionally, we note that distributional methods can be employed to model outcome distributions, but frequently do so at a high computational cost due to the need for discretization or elaborate sampling. To overcome this problem, we introduce a form of successor representation that incorporates an uncertainty envelope over states: Gaussian Distributional Successor Features (GDSF). Rather than inferring an implicit generative process, GDSF learns to approximate the distribution of cumulative outcomes with a Gaussian through recursive moment-matching. We present this framework for efficient representation of aleatoric uncertainty, without resorting to computationally expensive existing distributional methods. We also introduce Latent Outcome Optimization, an inference procedure which finds high-reward outcomes in the data support and drives a goal-conditioned policy. This dual-mode design allows the agent to transfer to non-linear objectives in a zero-shot way while preserving closed-form efficiency for linear tasks. Experiments on the D4RL benchmark show that GDSF yields better performance in risk-sensitive tasks while achieving at least competitive results in standard linear regimes.
Join ordering is the NP-hard problem of selecting the most efficient order in which to evaluate joins (conjunctive, binary operators) in a database query. Because query execution performance critically depends on this choice, join ordering lies at the core of query optimization. Traditional approaches cast this problem as a discrete combinatorial search over binary trees guided by a cost model, but they have trade-offs between effectiveness and efficiency. We show that when the cost model is differentiable, query plans can be continuously relaxed into a soft adjacency matrix that represents a superposition of plans. This continuous relaxation, combined with differentiable constraints that enforce plan validity, enables a gradient-based search for low-cost plans within this relaxed space. Using a Graph Neural Network as the cost model, we demonstrate that this gradient-based approach can find comparable and even lower-cost plans compared to traditional discrete search methods on two different graph datasets. Furthermore, we empirically show that the runtime of this approach scales better than discrete search algorithms. We believe this first step towards gradient-based join ordering can lead to more effective and efficient query optimizers in the future.
Medication recommendation plays a critical role in clinical decision-making by supporting personalized and safe treatment planning. Existing methods rely heavily on historical co-occurrence patterns and primarily optimize discrete prescription prediction objectives, limiting generalization in rare or emerging disease settings. We propose MGRec, a framework that shifts learning from discrete prescription prediction to condition-aware modeling in a continuous molecular representation space. MGRec treats molecular structure as the primary modeling target and employs a Therapeutic--Safety Factorized Conditional Variational Autoencoder to disentangle therapeutic and safety-related factors in a condition-aware molecular latent space. The model infers treatment-relevant molecular representations conditioned on current patient-specific clinical context, which are mapped to clinically approved medications for final recommendation. To improve clinical safety, we further introduce a DDI (drug-drug interaction)-guided latent regularization to integrate drug interaction knowledge at the representation level. Experiments on two real-world benchmarks demonstrate that MGRec achieves state-of-the-art accuracy and reduced interaction risk, particularly in data-sparse scenarios.
Denoising Diffusion Codebook Models (DDCM) have emerged as a promising framework for zero-shot image compression by replacing stochastic sampling with discrete selection from a reproducible Gaussian codebook. By greedily picking noise vectors that best match the target image, DDCM encodes the generative trajectory into a compact sequence of indices for image compression. However, the target-guided noise selection provides only coarse guidance as the discrepancy between the denoiser's output and the target image is substantial. This discrepancy inevitably results in trajectory drift, necessitating massive codebooks to span the enlarged search space and extensive inference steps to gradually compensate for the deviation. In this paper, we propose the Trajectory-Consistent Diffusion Codebook Model (TC-DDCM) to address these inefficiencies. Rather than approximating the distant target, TC-DDCM navigates the generative process by strictly tracking a pre-computed inversion trajectory. This paradigm shift yields two critical advantages: 1) By minimizing the deviation to the proximal reference state along the trajectory, the search space is drastically shrunk, resulting in significantly smaller codebooks. 2) By aligning the generative steps with inversion methods, TC-DDCM achieves optimal reconstruction in a few inference steps. Extensive experiments demonstrate that TC-DDCM significantly outperforms state-of-the-art zero-shot methods in rate-distortion-perception performance at ultra-low bitrates, making zero-shot diffusion-based compression practical.
When solving optimization problems under uncertainty with contextual data, utilizing machine learning to predict the uncertain parameters' values is a popular and effective approach. Decision-focused learning (DFL) aims at learning a predictive model such that decision quality, instead of prediction accuracy, is maximized. Common practice is to predict a single scenario representing the uncertain parameters, implicitly assuming that there exists a deterministic problem approximation (proxy) that allows for optimal decision-making. The opposite has also been considered, where the underlying distribution is estimated with a parameterized distribution. However, little is known about when either choice is valid. This paper investigates for the first time problem properties that justify using a certain decision proxy. Using this, we present alternative decision proxies for DFL, with little or no compromise on the complexity of the learning task. We show the effectiveness of presented approaches in experiments on continuous and discrete problems, as well as problems with uncertainty in the objective function and in the constraints.
Systematic safety evaluation of large language models must uncover diverse policy violations under tight query budgets. However, most red-teaming methods optimize attack success rate and repeatedly probe a narrow set of vulnerabilities, yielding redundant failures and leaving rarer yet critical violation categories unexplored. Under fixed budgets, such inefficient exploration delays the first discovery and limits category coverage. To address these limitations, we propose the Budget-Efficient Adaptive Cognitive Offense Navigator (BEACON), a budget-aware safety testing framework that uses Cognitive-Guided Monte Carlo Tree Search to navigate the violation search space under fixed budgets. BEACON innovatively approaches safety testing as a budget-constrained failure discovery process, aiming to identify diverse safety violations as early as possible within a fixed query budget. It also provides an efficiency-oriented evaluation perspective that measures early discovery and harm category coverage under budget constraints. Experiments on standard benchmarks and frontier LLMs show that BEACON discovers failures earlier and achieves higher coverage across policy violation categories. These results underscore the value of evaluating safety testing through discovery efficiency rather than attack success rate alone. Warning: This paper contains examples of harmful language and images, and reader discretion is recommended.
Many practical decision-making problems involve tasks whose success depends on the entire system history, rather than on achieving a state with desired properties. Markovian Reinforcement Learning (RL) can be inadequate for such tasks, while modeling them as non-Markovian reward decision processes (NMRDPs) enables agents to handle temporal dependencies. Existing approaches offer limited formal guarantees on both (near-)optimality and sample efficiency. We address both issues with QR-max, a novel model-based algorithm for NMRDPs with discrete actions that factorizes Markovian transition learning from non-Markovian reward handling via reward machines. To our knowledge, this is the first model-based RL algorithm for discrete-action NMRDPs that leverages this factorization to obtain PAC convergence to ε-optimal policies with polynomial sample complexity. We then extend QR-max to continuous state spaces with Bucket-QR-max, a SimHash-based discretizer that preserves the same factorized structure and achieves fast and stable learning without manual gridding or function approximation. We experimentally compare our method with state-of-the-art model-based RL approaches on environments of increasing complexity, showing substantially improved sample efficiency and greater robustness in finding optimal policies.
Designing functional protein sequences that satisfy multiple desired properties is a core research focus of protein engineering. Prior methods struggle with inability or inefficiency when dealing with numerous, often conflicting, properties. We propose Multi-Property Protein Diffusion, (MP2D), a unified framework for multi-objective protein sequence optimization that integrates conditional discrete diffusion with constrained MCTS and global iterative refinement. MP2D formulates diffusion denoising as a constrained sequential decision-making process and employs MCTS to explore diverse denoising trajectories guided by Pareto-based rewards. A global iterative refinement strategy further enables repeated remasking and re-optimization of candidate sequences, while a dynamic Pareto constraint prevents candidate bloat and maintains balanced trade-offs across objectives. We evaluate MP2D on two challenging multi-objective protein design tasks: antimicrobial peptide and protein binder optimization, involving four to five conflicting properties. Experimental results demonstrate that MP2D consistently outperforms existing multi-objective baselines, achieving robust and balanced improvements across all objectives without retraining generative models. These results highlight MP2D as a practical and scalable solution for multi-objective functional protein design.
Gradient inversion attacks (GIAs) have shown that shared gradients in federated learning leak private training data. However, current textual GIAs fail in large batch size, as simply increasing batch size can serve as a stable defense against such attacks. In this paper, we propose CDO-GIA, a novel textual gradient inversion attack via continuous-discrete optimization that extends the maximum effective batch size from 4 to 8 for reconstructing text from gradient. In continuous optimization phase, CDO-GIA incorporates a dynamic weight decay mechanism to alleviate embedding homogenization caused by embedding regularization at large batch sizes, thereby enhancing unigrams reconstruction accuracy. Moreover, our method introduces a tabu beam search mechanism guided by the language model prior during discrete optimization. This design facilitates fine-grained exploration of high-dimensional token spaces via precise token order adjustment, thus reconstructing semantically coherent sequences. By alternating optimization between continuous and discrete phases, CDO-GIA effectively doubling practical attack limit of prior textual GIAs. Extensive experiments are conducted on three binary text classification datasets. The experimental results indicate that CDO-GIA surpasses all baseline methods. With a batch size of 8, it achieves performance gains of 25.01%, 155.64%, and 22.72% over the baselines in terms of Rouge-1, Rouge-2 and Rouge-L scores.
Graph RAG for Automated Short Answer Grading with Feedback: Bridging Pedagogical Needs and Technical Capabilities
PDF ↗Automated short answer grading with feedback (ASAG-F) systems currently face challenges in transparency, pedagogical alignment, and cost-effectiveness that limit their real-world deployment. We introduce GraphRAG, a knowledge graph-based retrieval-augmented generation framework that addresses these limitations by grounding all large language model (LLM)-generated feedback and scores in instructor-curated atomic facts, ensuring traceability and verifiability. Using the Short Answer Feedback (SAF) dataset with 31 topics, we evaluate GraphRAG on unseen-question and unseen-answer splits. Our systematic evaluation demonstrates that GraphRAG achieves grading accuracy comparable to vector-based RAG and generally superior to a fine-tuned LLM baseline model while providing more transparent source attribution. Additional findings include: (1) Instructing the LLM to discretize continuous scores to match pedagogical rubrics, such as the 0.25 increments common in SAF, improves grading accuracy; (2) LLM-generated feedback exhibits length-dependent quality variations when unconstrained; prompt-based length control substantially enhances feedback quality and its stability, achieving optimal balance of instructional richness and conciseness; (3) Performance scaling analysis reveals that basic models like GPT-4o-mini offer cost-effective performance, while premium models like Claude-Opus-4 show diminishing returns. These results demonstrate that GraphRAG offers a robust, explainable, pedagogy-aligned, and cost-effective solution for large-scale educational applications, enabling transparent automated grading with effective pedagogical feedback and practical deployment costs.
Advancing Safe Mechanical Ventilation Using Offline RL with Hybrid Actions and Clinically Aligned Rewards
PDF ↗Invasive mechanical ventilation (MV) is a life-sustaining therapy commonly used in the intensive care unit (ICU) for patients with severe and acute conditions. These patients frequently rely on MV for breathing. Given the high risk of death in such cases, optimal MV settings can reduce mortality, minimize ventilator-induced lung injury, shorten ICU stays, and ease the strain on healthcare resources. However, optimizing MV settings remains a complex and error-prone process due to patient-specific variability. While Offline Reinforcement Learning (RL) shows promise for optimizing MV settings, current methods struggle with the hybrid (continuous and discrete) nature of MV settings. Discretizing continuous settings leads to exponential growth in the action space, which limits the number of optimizable settings. Converting the predictions back to continuous can cause a distribution shift, compromising safety and performance. To address this challenge, in the IntelliLung project, we are developing an AI-based approach where we constrain the action space and employ factored action critics. This approach allows us to scale to six optimizable settings compared to 2-3 in previous studies. We adapt SOTA offline RL algorithms to operate directly on hybrid action spaces, avoiding the pitfalls of discretization. We also introduce a clinically grounded reward function based on ventilator-free days and physiological targets. Using multi-objective optimization for reward selection, we show that this leads to a more equitable consideration of all clinically relevant objectives. Notably, we develop a system in close collaboration with healthcare professionals that is aligned with real-world clinical objectives and designed with future deployment in mind.
Adversarial Security of Financial Language Models (ASFLM) is critical as Large Language Models (LLMs) pervade high-stakes financial applications. However, LLMs face two key challenges: their vulnerability to damaging adversarial attacks and the prevalent research gap concerning robust defenses against sophisticated, semantically coherent threats. To address these, we first theoretically analyze the relationship between discrete and continuous adversarial optimization, proving the continuous optimum provides a lower bound for the discrete. This foundation supports our novel two-stage framework, ChameleonAttack. It employs Adaptive Latent-space Optimization (ALO) for potent adversarial token discovery, followed by a Semantic-Translation Module (STM) module to generate fluent, coherent, and natural-sounding adversarial text. This dual approach aims to maximize attack impact while ensuring high linguistic quality and semantic integrity for evasion. Evaluated on state-of-the-art financial LLMs (e.g., FinBERT) and standard benchmarks (e.g., Financial PhraseBank), ChameleonAttack achieves a high Attack Success Rate (ASR) of 93.4%. These results highlight significant practical vulnerabilities and underscore the urgent need for robust defense mechanisms in the financial domain.
Semi-supervised learning (SSL) on graphs is critical in applications where labeled data are scarce and costly, yet existing graph-based methods often degrade under extreme label sparsity or class imbalance, yielding trivial or unstable solutions. We introduce \textbf{CombCut}, the first exact combinatorial optimization framework for multi-class graph-based semi-supervised learning that operates directly on binary one-hot assignments, without any convex relaxation or heuristic volume constraints. By employing a minorization–maximization (MM) scheme, CombCut transforms each step into a structured linear assignment problem solved efficiently via network-flow algorithms. Total unimodularity guarantees integral iterates, and our theoretical analysis establishes both monotonic ascent of the true discrete objective and convergence of every limit point to a Karush–Kuhn–Tucker (KKT) stationary solution of the original combinatorial problem. Our approach requires no hyperparameter tuning and scales near-linearly in the number of vertices. Empirical evaluation on MNIST, Fashion-MNIST, and CIFAR-10 with as few as 1–5 labels per class shows that CombCut excels in worst-case labeling scenarios, significantly outperforming state-of-the-art graph-SSL baselines and yielding more stable and accurate label propagation under severe supervision constraints.