AAAI 2026 论文列表

Accurate and efficient modeling of soft-tissue interactions is fundamental for advancing surgical simulation, surgical robotics, and model-based surgical automation. To achieve real-time latency, classical Finite Element Method (FEM) solvers are often replaced with neural approximations; however, naively training such models in a fully data-driven manner without incorporating physical priors frequently leads to poor generalization and physically implausible predictions. We present a novel physics-informed neural simulation framework that enables real-time prediction of soft-tissue deformations under complex single- and multi-grasper interactions. Our approach integrates Kelvinlet-based analytical priors with large-scale FEM data, capturing both linear and nonlinear tissue responses. This hybrid design improves predictive accuracy and physical plausibility across diverse neural architectures while maintaining the low-latency performance required for interactive applications. We validate our method on challenging surgical manipulation tasks involving standard laparoscopic grasping tools, demonstrating substantial improvements in deformation fidelity and temporal stability over existing baselines. These results establish Kelvinlet-augmented learning as a principled and computationally efficient paradigm for real-time, physics-aware soft-tissue simulation in surgical AI.

We introduce LOREN, a curvature-aware zeroth-order (ZO) optimization method for fine-tuning large language models (LLMs). Existing ZO methods, which estimate gradients via finite differences using random perturbations, often suffer from high variance and suboptimal search directions. Our approach addresses these challenges by: (i) reformulating the problem of gradient preconditioning as that of adaptively estimating an anisotropic perturbation distribution for gradient estimation, (ii) capturing curvature through a low-rank block diagonal preconditioner using the framework of natural evolution strategies, and (iii) applying a REINFORCE leave-one-out (RLOO) gradient estimator to reduce variance. Experiments on standard LLM benchmarks show that our method outperforms state-of-the-art ZO methods by achieving higher accuracy and faster convergence, while cutting peak memory usage by up to 27.3% compared with MeZO-Adam.

The rise of large language models (LLMs) has sparked interest in coding assistants. While general-purpose programming languages are well supported, generating code for domain-specific languages remains a challenging problem for LLMs. In this paper, we focus on the LLM-based generation of code for Answer Set Programming (ASP), a particularly effective approach for finding solutions to combinatorial search problems. The effectiveness of LLMs in ASP code generation is currently hindered by the limited number of examples seen during their initial pre-training phase. In this paper, we introduce a novel ASP-solver-in-the-loop approach for solver-guided instruction-tuning of LLMs to addressing the highly complex semantic parsing task inherent in ASP code generation. Our method only requires problem specifications in natural language and their solutions. Specifically, we sample ASP statements for program continuations from LLMs for unriddling logic puzzles. Leveraging the special property of declarative ASP programming that partial encodings increasingly narrow down the solution space, we categorize them into chosen and rejected instances based on solver feedback. We then apply supervised fine-tuning to train LLMs on the curated data and further improve robustness using a solver-guided search that includes best-of-N sampling. Our experiments demonstrate consistent improvements in two distinct prompting settings on two datasets.

We study the expressive power of graph neural networks (GNNs) with mean as the aggregation function, with the following results. In the non-uniform setting, such GNNs have exactly the same expressive power as ratio modal logic, which has modal operators expressing that at least a certain ratio of the successors of a vertex satisfies a specified property. In the uniform setting, the expressive power relative to MSO is exactly that of modal logic, and thus identical to the (absolute) expressive power of GNNs with max aggregation. The proof, however, depends on constructions that are not satisfactory from a practical perspective. This leads us to making the natural assumptions that combination functions are continuous and classification functions are thresholds. The resulting class of GNNs with mean aggregation turns out to be much less expressive: relative to MSO and in the uniform setting, it has the same expressive power as alternation-free modal logic. This is in contrast to the expressive power of GNNs with max and sum aggregation, which is not affected by these assumptions.

Data synthesis is gaining momentum as a privacy-enhancing technology. While single-table tabular data generation has seen considerable progress, current methods for multi-table data often lack the flexibility and expressiveness needed to capture complex relational structures. In particular, they struggle with long-range dependencies and complex foreign-key relationships, such as tables with multiple parent tables or multiple types of links between the same pair of tables. We propose a generative model for relational data that generates the content of a relational dataset given the graph formed by the foreign-key relationships. We do this by learning a deep generative model of the content of the whole relational database by flow matching, where the neural network trained to denoise records leverages a graph neural network to obtain information from connected records. Our method is flexible, as it can support relational datasets with complex structures, and expressive, as the generation of each record can be influenced by any other record within the same connected component. We evaluate our method on several benchmark datasets and show that it achieves state-of-the-art performance in terms of synthetic data fidelity.

Accurate forecasting of multivariate time series data remains a formidable challenge, particularly due to the growing complexity of temporal dependencies in real-world scenarios. While neural network-based models have achieved notable success in this domain, complex channel-dependent models often suffer from performance degradation compared to channel-independent models that do not consider the relationship between components but provide high robustness due to small capacity. In this work, we propose HN-MVTS, a novel architecture that integrates the hypernetwork-based generative prior with an arbitrary neural network forecasting model. The input of this hypernetwork is a learnable embedding matrix of time series components. To restrict the number of new parameters, the hypernetwork learns to generate the weights of the last layer of the target forecasting networks, serving as a data-adaptive regularizer that improves generalization and long-range predictive accuracy. The hypernetwork is only used during training, so it does not increase the inference time compared to the base forecasting model. Extensive experiments on eight benchmark datasets demonstrate that application of HN-MVTS to the state-of-the-art models (DLinear, PatchTST, TSMixer, etc.) typically improves their performance. Our findings suggest that hypernetwork-driven parameterization offers a promising direction for enhancing existing forecasting techniques in complex scenarios.

Multi-armed bandit algorithms are fundamental tools for sequential decision-making under uncertainty, with widespread applications across domains such as clinical trials and personalized decision-making. As bandit algorithms are increasingly deployed in these socially sensitive settings, it becomes critical to protect user data privacy and ensure fair treatment across decision rounds. While prior work has independently addressed privacy and fairness in bandit settings, the question of whether both objectives can be achieved simultaneously has remained largely open. Existing privacy-preserving bandit algorithms typically optimize average regret, a utilitarian measure, whereas fairness-aware approaches focus on minimizing Nash regret, which penalizes inequitable reward distributions, but often disregard privacy concerns. To bridge this gap, we introduce Differentially Private Nash Confidence Bound (DP-NCB)—a novel and unified algorithmic framework that simultaneously ensures ϵ-differential privacy and achieves order-optimal Nash regret, matching known lower bounds up to logarithmic factors. The framework is sufficiently general to operate under both global and local differential privacy models, and is anytime, requiring no prior knowledge of the time horizon. We support our theoretical guarantees with simulations on synthetic bandit instances, showing that DP-NCB incurs substantially lower Nash regret than state-of-the-art baselines. Our results offer a principled foundation for designing bandit algorithms that are both privacy-preserving and fair, making them suitable for high-stakes, socially impactful applications.

For a class of hybrid dynamical systems, we show that a recurrent neural network with hybrid dynamics, which we refer to as a hybrid dynamic recurrent neural network (HyRNN), can be constructed to approximate solutions to hybrid systems over bounded (hybrid) time horizons. Specifically, given a desired precision level, we show that a hybrid system with dynamics resembling those of recurrent neural networks for continuous-time and discrete-time systems can be designed so that, for each bounded hybrid time horizon, its solutions are close to the solutions to the given hybrid system. Through the use of universal approximation theorems, we show that the approximation result holds for traditional smooth activation functions, such as sigmoid and arctan, and that extensions to ReLU functions are possible, and characterize the complexity of the proposed HyRNN.

Joint-Embedding Predictive Architectures (JEPAs), a powerful class of self-supervised models, exhibit an unexplained ability to cluster time-series data by their underlying dynamical regimes. We propose a novel theoretical explanation for this phenomenon, hypothesizing that JEPA's predictive objective implicitly drives it to learn the invariant subspace of the system's Koopman operator. We prove that an idealized JEPA loss is minimized when the encoder represents the system's regime indicator functions, which are Koopman eigenfunctions. This theory was validated on synthetic data with known dynamics, demonstrating that constraining the JEPA's linear predictor to be a near-identity operator is the key inductive bias that forces the encoder to learn these invariants. We further discuss that this constraint is critical for selecting this interpretable solution from a class of mathematically equivalent but entangled optima, revealing the predictor's role in representation disentanglement. This work demystifies a key behavior of JEPAs, provides a principled connection between modern self-supervised learning and dynamical systems theory, and informs the design of more robust and interpretable time-series models.

We precisely characterize the expressivity of computable Recurrent Graph Neural Networks (recurrent GNNs). We prove that recurrent GNNs with finite-precision parameters, sum aggregation, and ReLU activation, can compute any graph algorithm that respects the natural message-passing invariance induced by the Color Refinement (or Weisfeiler-Leman) algorithm. While it is well known that the expressive power of GNNs is limited by this invariance [Morris et al., AAAI 2019; Xu et al., ICLR 2019], we establish that recurrent GNNs can actually match this limit. This is in contrast to non-recurrent GNNs, which have the power of Weisfeiler-Leman only in a very weak, "non-uniform", sense where each graph size requires a different GNN to compute with. Our construction introduces only a polynomial overhead in both time and space. Furthermore, we show that by incorporating random initialization, for connected graphs recurrent GNNs can express all graph algorithms. In particular, any polynomial-time graph algorithm can be emulated on connected graphs in polynomial time by a recurrent GNN with random initialization.

To date, distributional reinforcement learning (distributional RL) methods have exclusively focused on the discounted setting, where an agent aims to optimize a discounted sum of rewards over time. In this work, we extend distributional RL to the average-reward setting, where an agent aims to optimize the reward received per time step. In particular, we utilize a quantile-based approach to develop the first set of algorithms that can successfully learn and/or optimize the long-run per-step reward distribution, as well as the differential return distribution of an average-reward MDP. We derive proven-convergent tabular algorithms for both prediction and control, as well as a broader family of algorithms that have appealing scaling properties. Empirically, we find that these algorithms yield competitive and sometimes superior performance when compared to their non-distributional equivalents, while also capturing rich information about the long-run per-step reward and differential return distributions.

In semi-decentralized federated learning, devices primarily rely on device-to-device communication but occasionally interact with a central server. Periodically, a sampled subset of devices uploads their local models to the server, which computes an aggregate model. The server can then either (i) share this aggregate model only with the sampled clients (sampled-to-sampled, S2S) or (ii) broadcast it to all clients (sampled-to-all, S2A). Despite their practical significance, a rigorous theoretical and empirical comparison of these two strategies remains absent. We address this gap by analyzing S2S and S2A within a unified convergence framework that accounts for key system parameters: sampling rate, server aggregation frequency, and network connectivity. Our results, both analytical and experimental, reveal distinct regimes where one strategy outperforms the other, depending primarily on the degree of data heterogeneity across devices. These insights lead to concrete design guidelines for practical semi-decentralized FL deployments.

Recently, structure–text contrastive learning has shown promising performance on text-attributed graphs by leveraging the complementary strengths of graph neural networks and language models. However, existing methods typically rely on homophily assumptions in similarity estimation and hard optimization objectives, which limit their applicability to heterophilic graphs. Although existing methods can mitigate heterophily through structural adjustments or neighbor aggregation, they usually treat textual embeddings as static targets, leading to suboptimal alignment. In this work, we identify the multi-granular heterophily in text-attributed graphs, including complete heterophily, partial heterophily, and latent homophily, which makes structure–text alignment particularly challenging due to mixed, noisy, and missing semantic correlations. To achieve flexible and bidirectional alignment, we propose GCL-OT, a novel graph contrastive learning framework with optimal transport, equipped with tailored mechanisms for each type of heterophily. Specifically, for partial heterophily, we design a RealSoftMax-based similarity estimator to emphasize key neighbor-word interactions while easing background noise. For complete heterophily, we introduce a prompt-based filter that adaptively excludes irrelevant noise during optimal transport alignment. Furthermore, we incorporate OT-guided soft supervision to uncover potential neighbors with similar semantics, enhancing the learning of latent homophily. Theoretical analysis shows that GCL-OT can improve the mutual information bound and Bayes error guarantees. Extensive experiments on nine benchmarks show that GCL-OT outperforms state-of-the-art methods, demonstrating its effectiveness and robustness.

Training large language models (LLMs) with billions of parameters on trillion-token datasets requires distributed data parallelism at increasingly large scales, where gradient synchronization becomes a communication bottleneck, especially in bandwidth-constrained environments. Although gradient quantization presents a promising solution, it faces two key challenges: maintaining training stability and accuracy for transformer architectures and adapting to modern distributed communication systems. In this paper, we propose BitDP, an ultra-low-bit gradient quantization system that reduces communication costs by up to 32× while preserving model accuracy with less than 1% performance degradation. Our approach achieves numerical stability for large transformer models and seamlessly integrates with existing infrastructures. We evaluate BitDP's effectiveness across various LLM sizes, architectures and optimizers. The results demonstrate significant training efficiency improvements while maintaining convergence quality, establishing BitDP as a scalable and reliable solution for real-world LLM training at industrial scales.

Graph Neural Networks (GNNs) have achieved significant progress in semi-supervised data classification, with an assumption that a complete graph or accurate structure is available. In this paper, a novel GNN architecture, named discrete-structure-augmentation graph convolutional network (DSA-GCN) is proposed, to apply the GCNs in real-world scenarios where the graphs are noisy and incomplete or even not available. Compared with existing methods, DSA-GCN firstly uses a variational Expectation-Maximization (EM) algorithm to jointly learn graph structure, including a discrete probability distribution on the edges of the graph and label dependency, and the parameters of GCN. Second, DSA-GCN applies novel reconstruction loss in learning discrete dependency structure on graph, together with consistency loss. Third, augmentation strategy is used to derive discrete graph structures with varying sparsity. Extensive experiments demonstrate that DSA-GCN significantly outperforms existing methods under varying levels of edge sparsity.

The ability of Large Language Models (LLMs) to precisely follow complex and fine-grained lexical instructions is a cornerstone of their utility and controllability. However, evaluating this capability remains a significant challenge. Current methods either rely on subjective and costly human evaluation or on automated ``LLM-as-a-judge'' systems, which suffer from inherent biases and unreliability. Existing programmatic benchmarks, while objective, often lack the expressiveness to test intricate, compositional constraints at a granular level. To address these limitations, we introduce LexInstructEval, a new benchmark and evaluation framework for fine-grained lexical instruction following. Our framework is built upon a formal, rule-based grammar that deconstructs complex instructions into a canonical (Procedure, Relation, Value) triplet. This grammar enables the systematic generation of a diverse dataset through a multi-stage, human-in-the-loop pipeline and facilitates objective verification via a transparent, programmatic engine. We release our dataset and open-source evaluation tools to facilitate further research into the controllability and reliability of LLMs.

Amid recent advances for multivariate time series forecasting, self-supervised learning has emerged as a promising paradigm for deriving transferable knowledge from multi-domain data. Despite its effectiveness, existing approaches exhibit two critical limitations: (1) Underestimating the significance of multivariate dependencies in learning generalizable representations and (2) Failing to reconcile the complementary strengths of autoregressive and one-shot generative paradigms. In this work, we propose TimeCAP, a novel channel-aware pre-training framework that internalizes latent causal relationships among variables inherent in multi-domain data, and effectively transfers the acquired knowledge to downstream applications. Technically, we present a flexible channel-grouping learning approach, complemented by an adaptive meta-routing mechanism, enabling TimeCAP to parallel recognize intra-group local patterns while maintaining global coherence. Intra- and inter-group multivariate dependencies are captured through the self- and cross-attention with channel-aware mask, which strictly confine interactions among time-aligned, fine-grained multivariate tokens. To seamlessly unify two advanced generative paradigms, we propose a novel dynamic dual-head decoding and optimization strategy, empowering TimeCAP to leverage critical dependencies in the output series while avoiding cumulative errors over time. In the few-shot evaluation, TimeCAP achieves average MSE and MAE reductions of 11.8% and 6% over leading baselines, while also outperforming state-of-the-art models in full-shot and zero-shot settings by large margins.

Pixel-level feature attributions are an important tool in eXplainable AI for Computer Vision (XCV), providing visual insights into how image features influence model predictions. The Owen formula for hierarchical Shapley values has been widely used to interpret machine learning (ML) models and their learned representations. However, existing hierarchical Shapley approaches do not exploit the multiscale structure of image data, leading to slow convergence and weak alignment with the actual morphological features. Moreover, no prior Shapley method has leveraged data-aware hierarchies for Computer Vision tasks, leaving a gap in model interpretability of structured visual data. To address this, this paper introduces ShapBPT, a novel data-aware XCV method based on the hierarchical Shapley formula. ShapBPT assigns Shapley coefficients to a multiscale hierarchical structure tailored for images, the Binary Partition Tree (BPT). By using this data-aware hierarchical partitioning, ShapBPT ensures that feature attributions align with intrinsic image morphology, effectively prioritizing relevant regions while reducing computational overhead. This advancement connects hierarchical Shapley methods with image data, providing a more efficient and semantically meaningful approach to visual interpretability. Experimental results confirm ShapBPT’s effectiveness, demonstrating superior alignment with image structures and improved efficiency over existing XCV methods, and a 20-subject user study confirming that ShapBPT explanations are preferred by humans.

Recent advances have shown that sequential fine-tuning (SeqFT) of pre-trained vision transformers (ViTs), followed by classifier refinement using approximate distributions of class features, can be an effective strategy for class-incremental learning (CIL). However, this approach is susceptible to distribution drift, caused by the sequential optimization of shared backbone parameters. This results in a mismatch between the distributions of the previously learned classes and that of the updated model, ultimately degrading the effectiveness of classifier performance over time. To address this issue, we introduce a latent space transition operator and propose Sequential Learning with Drift Compensation (SLDC). SLDC aims to align feature distributions across tasks to mitigate the impact of drift. First, we present a linear variant of SLDC, which learns a linear operator by solving a regularized least-squares problem that maps features before and after fine-tuning. Next, we extend this with a weakly nonlinear SLDC variant, which assumes that the ideal transition operator lies between purely linear and fully nonlinear transformations. This is implemented using learnable, weakly nonlinear mappings that balance flexibility and generalization. To further reduce representation drift, we apply knowledge distillation (KD) in both algorithmic variants. Extensive experiments on standard CIL benchmarks demonstrate that SLDC significantly improves the performance of SeqFT. Notably, by combining KD to address representation drift with SLDC to compensate distribution drift, SeqFT achieves performance comparable to joint training across all evaluated datasets.