AAAI 2026 Papers

Cross-modal alignment is a promising yet challenging task in multimodal learning. Existing methods typically assess it by measuring the cross-modal semantic similarity from both global and local perspectives. However, these methods often neglect their potential interdependence. Specifically, global matching methods suffer from the over-compression of local features, while local matching methods rarely consider the inherent spatial topology of image patches. To address these limitations, we propose MG-Net, a unified framework with two collaborative modules: Multi-View Differential Mixer (MDM) and Graph-Guided Structural Region Selector (GSRS). The MDM is designed to capture discriminative global representations. It generates a series of views by decomposing feature vectors through multi-order differential operations, and adaptively fuses them via a lightweight Mixture-of-Experts (MoE) network. Meanwhile, the GSRS organizes image patches as a spatial graph and employs text-guided contextual reasoning to select spatially coherent and semantically complete structural regions. Extensive experiments on the Flickr30K and MS-COCO benchmarks demonstrate that the proposed MG-Net outperforms state-of-the-art methods in most cases.

Sample selection is a straightforward technique to combat noisy labels, aiming to prevent mislabeled samples from degrading the robustness of neural networks. However, existing methods mitigate compounding selection bias either by leveraging dual-network disagreement or additional forward propagations, leading to multiplied training overhead. To address this challenge, we introduce Jump-teaching, an efficient sample selection framework for debiased model update and simplified selection criterion. Based on a key observation that a neural network exhibits significant disagreement across different training iterations, Jump-teaching proposes a jump-manner model update strategy to enable self-correction of selection bias by harnessing temporal disagreement, eliminating the need for multi-network or multi-round training. Furthermore, we employ a sample-wise selection criterion building on the intra variance of a decomposed single loss for a fine-grained selection without relying on batch-wise ranking or dataset-wise modeling. Extensive experiments demonstrate that Jump-teaching outperforms state-of-the-art counterparts while achieving a nearly overhead-free selection procedure, which boosts training speed by up to 4.47× and reduces peak memory footprint by 54%.

User interface (UI) design is an iterative process in which designers progressively refine their work with design software such as Figma or Sketch. Recent advances in vision–language models (VLMs) with tool invocation suggest these models can operate design software to edit a UI design through iteration. Understanding and enhancing this capacity is important, as it highlights VLMs’ potential to collaborate with designers within conventional software. However, as no existing benchmark evaluates tool-based design performance, the capacity remains unknown. To address this, we introduce CANVAS, a benchmark for VLMs on tool-based user interface design. Our benchmark contains 598 tool-based design tasks paired with ground-truth references sampled from 3.3K mobile UI designs across 30 function-based categories (e.g., onboarding, messaging). In each task, a VLM updates the design step-by-step through context-based tool invocations (e.g., create a rectangle as a button background), linked to design software. Specifically, CANVAS incorporates two task types: (i) design replication evaluates the ability to reproduce a whole UI screen; (ii) design modification evaluates the ability to modify a specific part of an existing screen. Results suggest that leading models exhibit more strategic tool invocations, improving design quality. Furthermore, we identify common error patterns models exhibit, guiding future work in enhancing tool-based design capabilities.

Machine unlearning (MU) aims to remove the influence of specific data from trained models, addressing privacy concerns and ensuring compliance with regulations such as the "right to be forgotten." Evaluating strong unlearning, where the unlearned model is indistinguishable from one retrained without the forgetting data, remains a significant challenge in deep neural networks (DNNs). Common black-box metrics, such as variants of membership inference attacks and accuracy comparisons, primarily assess model outputs but often fail to capture residual information in intermediate layers. To bridge this gap, we introduce the Information Difference Index (IDI), a novel white-box metric inspired by information theory. IDI quantifies retained information in intermediate features by measuring mutual information between those features and the labels to be forgotten, offering a more comprehensive assessment of unlearning efficacy. Our experiments demonstrate that IDI effectively measures the degree of unlearning across various datasets and architectures, providing a reliable tool for evaluating strong unlearning in DNNs.

System identification in control theory aims to approximate dynamical systems from trajectory data. While neural networks have demonstrated strong predictive accuracy, they often fail to preserve critical physical properties such as stability and typically assume stationary dynamics, limiting their applicability under distribution shifts. Existing approaches generally address either stability or adaptability in isolation, lacking a unified framework that ensures both. We propose LILAD (Learning In-Context Lyapunov-stable Adaptive Dynamics), a novel framework for system identification that jointly guarantees adaptability and stability. LILAD simultaneously learns a dynamics model and a Lyapunov function through in-context learning (ICL), explicitly accounting for parametric uncertainty. Trained across a diverse set of tasks, LILAD produces a stability-aware, adaptive dynamics model alongside an adaptive Lyapunov certificate. At test time, both components adapt to a new system instance using a short trajectory prompt, which enables fast generalization. To rigorously ensure stability, LILAD also computes a state-dependent attenuator that enforces a sufficient decrease condition on the Lyapunov function for any state in the new system instance. This mechanism extends stability guarantees even under out-of-distribution and out-of-task scenarios. We evaluate LILAD on benchmark autonomous systems and demonstrate that it outperforms adaptive, robust, and non-adaptive baselines in predictive accuracy.

Molecular property prediction is a crucial task that guides the design of new compounds, including drugs and materials. While explainable artificial intelligence methods aim to scrutinize model predictions by identifying influential molecular substructures, many existing approaches rely on masking strategies that remove either atoms or atom-level features to assess importance via fidelity metrics. These methods, however, often fail to adhere to the underlying molecular distribution and thus yield unintuitive explanations. In this work, we propose counterfactual masking, a novel framework that replaces masked substructures with chemically reasonable fragments sampled from generative models trained to complete molecular graphs. Rather than evaluating masked predictions against implausible zeroed-out baselines, we assess them relative to counterfactual molecules drawn from the data distribution. Our method offers two key benefits: (1) molecular realism that underpins robust and distribution-consistent explanations, and (2) meaningful counterfactuals that directly indicate how structural modifications may affect predicted properties. We demonstrate that counterfactual masking is well-suited for benchmarking model explainers and yields more actionable insights across multiple datasets and property prediction tasks. Our approach bridges the gap between explainability and molecular design, offering a principled and generative path toward explainable machine learning in chemistry.

Conformal prediction constructs a set of labels instead of a single point prediction, while providing a probabilistic coverage guarantee. Beyond the coverage guarantee, adaptiveness to example difficulty is an important property. It means that the method should produce larger prediction sets for more difficult examples, and smaller ones for easier examples. Existing evaluation methods for adaptiveness typically analyze coverage rate violation or average set size across bins of examples grouped by difficulty. However, these approaches often suffer from imbalanced binning, which can lead to inaccurate estimates of coverage or set size. To address this issue, we propose a binning method that leverages input transformations to sort examples by difficulty, followed by uniform-mass binning. Building on this binning, we introduce two metrics to better evaluate adaptiveness. These metrics provide more reliable estimates of coverage rate violation and average set size due to balanced binning, leading to more accurate adaptivity assessment. Through experiments, we demonstrate that our proposed metric correlates more strongly with the desired adaptiveness property compared to existing ones. Furthermore, motivated by our findings, we propose a new adaptive prediction set algorithm that groups examples by estimated difficulty and applies group-conditional conformal prediction. This allows us to determine appropriate thresholds for each group. Experimental results on both (a) an Image Classification (ImageNet) (b) a medical task (visual acuity prediction) show that our method outperforms existing approaches according to the new metrics.

Leveraging the Wasserstein distance—a summation of sample-wise transport distances in data space—is advantageous in many applications for measuring support differences between two underlying density functions. However, when supports significantly overlap while densities exhibit substantial pointwise differences, it remains unclear whether and how this transport information can accurately identify these differences, particularly their analytic characterization in finite-sample settings. We address this issue by conducting an analysis of the information processing capabilities of the one-dimensional Wasserstein distance with finite samples. By utilizing the Poisson process and isolating the rate factor, we demonstrate the capability of capturing the pointwise density difference with Wasserstein distances and how this information harmonizes with support differences. The analyzed properties are confirmed using neural spike train decoding and amino acid contact frequency data. The results reveal that the one-dimensional Wasserstein distance highlights meaningful density differences related to both rate and support.

We propose Federated Preconditioned Mixing (FedPM), a novel Federated Learning (FL) method that leverages second-order optimization. Prior methods - such as LocalNewton, LTDA, and FedSophia - have incorporated second-order optimization in FL by performing iterative local updates on clients and applying simple mixing of local parameters on the server. However, these methods often suffer from drift in local preconditioners, which significantly disrupts the convergence of parameter training, particularly in heterogeneous data settings. To overcome this issue, we refine the update rules by decomposing the ideal second-order update - computed using globally preconditioned global gradients - into parameter mixing on the server and local parameter updates on clients. As a result, our FedPM introduces preconditioned mixing of local parameters on the server, effectively mitigating drift in local preconditioners. We provide a theoretical convergence analysis demonstrating a superlinear rate for strongly convex objectives in scenarios involving a single local update. To demonstrate the practical benefits of FedPM, we conducted extensive experiments. The results showed significant improvements with FedPM in the test accuracy compared to conventional methods incorporating simple mixing, fully leveraging the potential of second-order optimization.

Bipartite learning is a machine learning task that aims to predict interactions between pairs of instances. It has been applied to various domains, including drug-target interactions, RNA-disease associations, and regulatory network inference. Despite being widely investigated, current methods still present drawbacks, as they are often designed for a specific application and thus do not generalize to other problems or present scalability issues. To address these challenges, we propose Oxytrees: proxy-based biclustering model trees. Oxytrees compress the interaction matrix into row- and column-wise proxy matrices, significantly reducing training time without compromising predictive performance. We also propose a new leaf-assignment algorithm that significantly reduces the time taken for prediction. Finally, Oxytrees employ linear models using the Kronecker product kernel in their leaves, resulting in shallower trees and thus even faster training. Using 15 datasets, we compared the predictive performance of ensembles of Oxytrees with that of the current state-of-the-art. We achieved up to 30-fold improvement in training times compared to state-of-the-art biclustering forests, while demonstrating competitive or superior performance in most evaluation settings, particularly in the inductive setting. Finally, we provide an intuitive Python API to access all datasets, methods and evaluation measures used in this work, thus enabling reproducible research in this field.

Zero-shot coordination(ZSC), a key challenge in multi-agent game theory, has become a hot topic in reinforcement learning (RL) research recently, especially in complex evolving games. It focuses on the generalization ability of agents, requiring them to coordinate well with collaborators from a diverse, potentially evolving, pool of partners that are not seen before without any fine-tuning. Population-based training, which approximates such an evolving partner pool, has been proven to provide good zero-shot coordination performance; nevertheless, existing methods are limited by computational resources, mainly focusing on optimizing diversity in small populations while neglecting the potential performance gains from scaling population size. To address this issue, this paper proposes the Scalable Population Training (ScaPT), an efficient RL training framework comprising two key components: a meta-agent that efficiently realizes a population by selectively sharing parameters across agents, and a mutual information regularizer that guarantees population diversity. To empirically validate the effectiveness of ScaPT, this paper evaluates it along with representational frameworks in Hanabi cooperative game and confirms its superiority.

Diffusion models have achieved impressive generative performance across diverse domains such as image, video, and scientific data generation. However, fine-tuning these models for new tasks remains challenging due to their large scale, architectural diversity, and high sensitivity to hyperparameters—particularly learning rates. In this work, we propose Wasserstein-Aware Transfer (WAT), a principled and effective fine-tuning strategy grounded in diffusion trajectory analysis and optimal transport theory. Our key insight is that the distributional discrepancies between diffusion trajectories from different datasets decrease progressively over time and converge near the noise end. Based on this observation, we introduce a class-wise matching mechanism that minimizes the Wasserstein distance between class distributions of source and target datasets. This enables alignment at the class level without modifying the standard fine-tuning pipeline. To further enhance knowledge retention, we propose a novel sampling strategy that linearly combines class-conditional outputs from both pretrained and fine-tuned models. This method is simple yet effective, requiring negligible computational overhead while preserving domain-specific and generalizable knowledge. Extensive experiments across seven diverse benchmarks demonstrate that WAT reliably enhances generation quality under distribution shifts, outperforming competitive baselines. These results underscore its robustness and affirm the potential of optimal transport as a principled basis for knowledge transfer in diffusion models.

Amid growing demands for data privacy and advances in computational infrastructure, federated learning (FL) has emerged as a prominent distributed learning paradigm. Nevertheless, differences in data distribution (such as covariate and semantic shifts) severely affect its reliability in real-world deployments. To address this issue, we propose FedSDWC, a causal inference method that integrates both invariant and variant features. FedSDWC infers causal semantic representations by modeling the weak causal influence between invariant and variant features, effectively overcoming the limitations of existing invariant learning methods in accurately capturing invariant features and directly constructing causal representations. This approach significantly enhances FL's ability to generalize and detect OOD data. Theoretically, we derive FedSDWC's generalization error bound under specific conditions and, for the first time, establish its relationship with client prior distributions. Moreover, extensive experiments conducted on multiple benchmark datasets validate the superior performance of FedSDWC in handling covariate and semantic shifts. For example, FedSDWC outperforms FedICON, the next best baseline, by an average of 3.04% on CIFAR-10 and 8.11% on CIFAR-100.

The Information Bottleneck (IB) principle facilitates effective representation learning by preserving label-relevant information while compressing irrelevant information. However, its strong reliance on accurate labels makes it inherently vulnerable to label noise, prevalent in real-world scenarios, resulting in significant performance degradation and overfitting. To address this issue, we propose LaT-IB, a novel Label-Noise ResistanT Information Bottleneck method which introduces a "Minimal-Sufficient-Clean" (MSC) criterion. Instantiated as a mutual information regularizer to retain task-relevant information while discarding noise, MSC addresses standard IB’s vulnerability to noisy label supervision. To achieve this, LaT-IB employs a noise-aware latent disentanglement that decomposes the latent representation into components aligned with to the clean label space and the noise space. Theoretically, we first derive mutual information bounds for each component of our objective including prediction, compression, and disentanglement, and moreover prove that optimizing it encourages representations invariant to input noise and separates clean and noisy label information. Furthermore, we design a three-phase training framework: Warmup, Knowledge Injection and Robust Training, to progressively guide the model toward noise-resistant representations. Extensive experiments demonstrate that LaT-IB achieves superior robustness and efficiency under label noise, significantly enhancing robustness and applicability in real-world scenarios with label noise.

Forecasting time series with extreme events is critical yet challenging due to their high variance, irregular dynamics, and sparse but high-impact nature. While existing methods excel in modeling dominant regular patterns, their performance degrades significantly during extreme events, constituting the primary source of forecasting errors in real-world applications. Although some approaches incorporate auxiliary signals to improve performance, they still fail to capture extreme events' complex temporal dynamics. To address these limitations, we propose M²FMoE, an extreme-adaptive forecasting model that learns both regular and extreme patterns through multi-resolution and multi-view frequency modeling. It comprises three modules: (1) a multi-view frequency mixture-of-experts module assigns experts to distinct spectral bands in Fourier and Wavelet domains, with cross-view shared band splitter aligning frequency partitions and enabling inter-expert collaboration to capture both dominant and rare fluctuations; (2) a multi-resolution adaptive fusion module that hierarchically aggregates frequency features from coarse to fine resolutions, enhancing sensitivity to both short-term variations and sudden changes; (3) a temporal gating integration module that dynamically balances long-term trends and short-term frequency-aware features, improving adaptability to both regular and extreme temporal patterns. Experiments on real-world hydrological datasets with extreme patterns demonstrate that M²FMoE outperforms state-of-the-art baselines without requiring extreme-event labels.

Contextual linear dueling bandits have recently garnered significant attention due to their widespread applications in important domains such as recommender systems and large language models. Classical dueling bandit algorithms are typically only applicable to a single agent. However, many applications of dueling bandits involve multiple agents who wish to collaborate for improved performance yet are unwilling to share their data. This motivates us to draw inspirations from federated learning, which involves multiple agents aiming to collaboratively train their neural networks via gradient descent (GD) without sharing their raw data. Previous works have developed federated linear bandit algorithms which rely on closed-form updates of the bandit parameters (e.g., the linear function parameters) to achieve collaboration. However, in linear dueling bandits, the linear function parameters lack a closed-form expression and their estimation requires minimizing a loss function. This renders these previous methods inapplicable. In this work, we overcome this challenge through an innovative and principled combination of online gradient descent (OGD, for minimizing the loss function to estimate the linear function parameters) and federated learning, hence introducing our federated linear dueling bandit with OGD (FLDB-OGD) algorithm. Through rigorous theoretical analysis, we prove that FLDB-OGD enjoys a sub-linear upper bound on its cumulative regret and demonstrate a theoretical trade-off between regret and communication complexity. We conduct empirical experiments to demonstrate the effectiveness of FLDB-OGD and reveal valuable insights, such as the benefit of a larger number of agents, the regret-communication trade-off, among others.

Neural networks have emerged as powerful surrogates for solving partial differential equations (PDEs), offering significant computational speedups over traditional methods. However, these models suffer from a critical limitation: error accumulation during long-term rollouts, where small inaccuracies compound exponentially, eventually causing complete divergence from physically valid solutions. We present PhysicsCorrect, a training-free correction framework that enforces PDE consistency at each prediction step by formulating correction as a linearized inverse problem based on PDE residuals. Our key innovation is an efficient caching strategy that precomputes the Jacobian and its pseudoinverse during an offline warm-up phase, reducing computational overhead by two orders of magnitude compared to standard correction approaches. Across three representative PDE systems, including Navier-Stokes fluid dynamics, wave equations, and the chaotic Kuramoto-Sivashinsky equation, PhysicsCorrect reduces prediction errors by up to 100× while adding negligible inference time (under 5%). The framework integrates seamlessly with diverse architectures, including Fourier Neural Operators, UNets, and Vision Transformers, effectively transforming unstable neural surrogates into reliable simulation tools that bridge the gap between deep learning's computational efficiency and the physical fidelity demanded by practical scientific applications.

Federated class-incremental learning (FCIL) aims to incrementally learn new classes across decentralized clients under non-IID data distributions. However, the pervasive challenge of label noise in FCIL has been completely overlooked. In this work, we introduce federated noisy class-incremental learning (FNCIL) and, for the first time, identify a novel form of label noise—spatio-temporal label misalignment—where samples from unseen classes are entirely mislabeled as known classes, with their correctly labeled counterparts appearing in latter tasks or other clients. This phenomenon undermines the effectiveness of existing centralized denoising strategies and creates a clear requirement for noise-robust methods in real-world FNCIL scenarios. To tackle this issue, we propose FedRNC, a dual-phase framework that leverages feature-space associations to establish spatio-temporal correspondences between clean global prototypes and noisy cached samples for progressive label correction. Experiments on standard benchmarks demonstrate FedRNC's superiority against existing baselines, along with its plug-and-play capability to upgrade FCIL systems for FNCIL.

Large models have achieved remarkable performance across a range of reasoning and understanding tasks. Prior work often utilizes model ensembles or multi-agent systems to collaboratively generate responses, effectively operating in a server-to-server paradigm. However, such approaches do not align well with practical deployment settings, where a limited number of server-side models are shared by many clients under modern internet architectures. In this paper, we introduce CoLM (Collaboration in Large-Models), a novel framework for collaborative reasoning that redefines cooperation among large models from a client-server perspective. Unlike traditional ensemble methods that rely on simultaneous inference from multiple models to produce a single output, CoLM allows the outputs of multiple models to be aggregated or shared, enabling each client model to independently refine and update its own generation based on these high-quality outputs. This design enables collaborative benefits by fully leveraging both client-side and shared server-side models. We further extend CoLM to vision-language models (VLMs), demonstrating its applicability beyond language tasks. Experimental results across multiple benchmarks show that CoLM consistently improves model performance on previously failed queries, highlighting the effectiveness of collaborative guidance in enhancing single-model capabilities.