Singapore

Graph pooling has gained significant progress in recent years as an effective solution for graph-level property classification tasks. With the emergence of research on Heterogeneous Information Networks (HINs), this paper argues that graph-level datasets for graph classification should be treated as HINs rather than homogeneous graphs to enhance information aggregation. We propose HINPool, a novel and general graph pooling framework for graph-level property classification with HINs. First, we devise a systematic HIN construction procedure from the original data to capture complex interactions. Next, we introduce a type-aware heterogeneous graph pooling method featuring a Type-Aware Selector (TAS) to select essential nodes and a Readout Aggregator (RA) to fuse critical information into a graph-level representation. Finally, a cross-layer fusion function is applied to combine the output embeddings from each graph pooling layer, creating a final graph representation for downstream classification tasks. 
Our approach achieves near state-of-the-art performance on widely used graph classification benchmark datasets, demonstrating significant improvements in four out of five datasets. This work redefines the strategy for graph-level property classification with HGNNs and heterogeneous graph pooling to model intricate relationships, enhancing performance without requiring extensive domain-specific knowledge.

AAAI 2026

HINPool: A Unified Heterogeneous Graph Pooling Framework for Accurate Molecular and Protein Property Prediction

ml: classification and regression

ml: graph-based machine learning

ml: applications

The purpose of the AAAI conference is to promote research in artificial intelligence (AI) and scientific exchange among AI researchers, practitioners, scientists, and engineers in affiliated disciplines. 

AAAI 2022

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We are pleased to announce the Fortieth AAAI Conference on Artificial Intelligence (AAAI-26), which will be held in Singapore EXPO from January 20 to January 27, 2026.

The purpose of the AAAI conference series is to promote research in Artificial Intelligence (AI) and foster scientific exchange between researchers, practitioners, scientists, students, and engineers across the entirety of AI and its affiliated disciplines. AAAI-26 will feature technical paper presentations, special tracks, invited speakers, workshops, tutorials, poster sessions, senior member presentations, competitions, and exhibit programs, and a range of other activities to be announced.<br><br>

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We are pleased to announce the Fortieth AAAI Conference on Artificial Intelligence (AAAI-26), which will be held in Singapore EXPO from January 20 to January 27, 2026.

As an essential component of fine-tuning, warm-up plays a crucial role in promoting stability and generalization. Many studies have examined its underlying mechanisms from different aspects. However, most of the studies focus on incorporating these insights into optimizers to reduce the reliance on warm-up. Little attention has been paid to addressing the inherent limitations of the warm-up itself, which restricts its effectiveness. In this work, we revisit warm-up from a loss landscape perspective and identify several limitations with existing warm-up, including: (1) susceptibility to nearby suboptimal traps, (2) sensitivity to hyperparameters and random seeds, and (3) inefficiency during the early stages of training.
To overcome these limitations, we propose **S**ensitivity-**A**ware **W**arm-**U**p (SAWU), a lightweight and adaptive strategy that dynamically leverages learning sensitivity during warm-up to guide updates toward better and more stable basins. In addition, SAWU also introduces an adaptive scheduling mechanism and phase transition strategy across warm-up, stable, and decay phases to further enhance robustness and efficiency.
Extensive experiments on various downstream tasks show that SAWU significantly outperforms the vanilla method (e.g., average 3.43\% improvement on RoBerta). Moreover, SAWU can be easily combined with various optimizers and remains effective even when warm-up-based methods fail (e.g, it lifts RAdam from 49.46\% to 91.78\% on *qnli*. Thanks to its lightweight nature, SAWU introduces minimal overhead and even reduces training time by over 5\% compared to other methods.

A Better Start: Sensitivity-Aware Warm-Up for Robust and Efficient Fine-Tuning

As large language models (LLMs) become increasingly capable, concerns over the unauthorized use of copyrighted and licensed content in their training data have grown, especially in the context of code. Open-source code, often protected by open source licenses (e.g, GPL), poses legal and ethical challenges when used in pretraining. Detecting whether specific code samples were included in LLM training data is thus critical for transparency, accountability, and copyright compliance.

We propose \textsc{SynPrune}, a syntax-pruned membership inference attack method tailored for code. Unlike prior MIA approaches that treat code as plain text, \textsc{SynPrune} leverages the structured and rule-governed nature of programming languages. Specifically, it identifies and excludes consequent tokens that are syntactically required and not reflective of authorship, from attribution when computing membership scores. Experimental results show that \textsc{SynPrune} consistently outperforms the state-of-the-arts. Our method is also robust across varying function lengths and syntax categories.

Uncovering Pretraining Code in LLMs: A Syntax-Aware Attribution Approach

Learning representations on graphs is foundational for many downstream tasks, and its synergy with diffusion models has emerged as a promising direction. However, diffusion-based methods for heterogeneous graphs remain underexplored, confronting two principal challenges: (1) The presence of noise and structural heterogeneity in graphs makes it challenging to accurately capture semantic transitions among diverse relation types. (2) The isotropic Gaussian noise used in forward diffusion fails to reflect graphs' inherent semantics and structural anisotropy. To address these, we propose ARDiff, a novel framework that integrates residual diffusion with anisotropic noise for heterogeneous graph learning. Specifically, we propose a semantic residual diffusion mechanism that progressively refines node embeddings by orchestrating transitions from low-semantic (high-noise) to high-semantic (low-noise) relational contexts, thus enabling step-wise distillation of task-relevant information. In addition, to address the limitations of conventional diffusion, we introduce an anisotropic diffusion strategy: in the forward process, noise injection is oriented by structural and semantic priors; in the denoising step, a conditional diffusion mechanism is guided by a random walk encoding, enhancing both topological consistency and semantic alignment. Extensive evaluation on heterogeneous graph datasets demonstrates that ARDiff significantly surpasses current leading methods in link prediction and node classification, setting a new paradigm and benchmark in heterogeneous graph representation learning.

ARDiff: Anisotropic Residual Diffusion for Heterogeneous Graph Learning

Large Language Models (LLMs) have demonstrated strong performance across a wide range of tasks, yet they still struggle with complex mathematical reasoning, a challenge fundamentally rooted in deep structural dependencies. To address this challenge, we propose \textbf{CA}usal \textbf{MA}thematician (\textbf{CAMA}), a two-stage causal framework that equips LLMs with explicit, reusable mathematical structure. In the learning stage, CAMA first constructs the \textbf{M}athematical \textbf{C}ausal \textbf{G}raph (\textbf{MCG}), a high-level representation of solution strategies, by combining LLM priors with causal discovery algorithms applied to a corpus of question-solution pairs. The resulting MCG encodes essential knowledge points and their causal dependencies. To better align the graph with downstream reasoning tasks, CAMA further refines the MCG through iterative feedback derived from a selected subset of the question-solution pairs. In the reasoning stage, given a new question, CAMA dynamically extracts a task-relevant subgraph from the MCG, conditioned on both the question content and the LLM’s intermediate reasoning trace. This subgraph, which encodes the most pertinent knowledge points and their causal dependencies, is then injected back into the LLM to guide its reasoning process. Empirical results on real-world datasets show that CAMA significantly improves LLM performance on challenging mathematical problems. Furthermore, our experiments demonstrate that structured guidance consistently outperforms unstructured alternatives, and that incorporating asymmetric causal relationships yields greater improvements than using symmetric associations alone.

CAMA: Enhancing Mathematical Reasoning in Large Language Models with Causal Knowledge

Incentives for early arrival (I4EA) was recently proposed for studying online cooperative games. In an online cooperative game, players arrive in an unknown order, and the value increase after each player arrived should be distributed immediately among all the arrived players. Although there is only one arriving order in the game, we also hope that the value distribution is equal to their Shapley value in expectation. To achieve these goals, the early solutions ignored the fairness in each single arriving order. More specifically, an important player may receive nothing in a game, which seems unfair in reality. To combat this, we propose refined fairness in this paper and design new solutions in 0-1 value games. Specifically, we compute the distance of the distribution in each order to the Shapley value and aim to minimize it. We propose a new mechanism called Egalitarian Value-Sharing (EVS) to do so. We also show that the mechanism can maximize the egalitarian welfare among all the players who made contributions.

Fair Incentives for Early Arrival in 0-1 Cooperative Games

Origin-Destination (OD) flow matrices are essential for urban mobility analysis, underpinning applications in traffic forecasting, infrastructure planning, and policy design. However, existing methods suffer from two critical limitations: (1) reliance on auxiliary features (e.g., Points of Interest, socioeconomic statistics) that are costly to collect and have limited spatial coverage; and (2) sensitivity to spatial topology, where minor index reordering of urban regions (e.g., census tract relabeling) disrupts structural coherence in generated flows. To address these challenges, we propose Sat2Flow, a latent structure-aware diffusion-based framework that generates structurally coherent OD flows using solely satellite imagery as input. Our approach introduces a multi-kernel encoder to capture diverse regional interactions and employs a permutation-aware diffusion process that aligns latent representations across different regional orderings. Through a joint contrastive training objective that bridges satellite-derived features with OD patterns, combined with equivariant diffusion training that enforces structural consistency, Sat2Flow ensures topological robustness under arbitrary regional reindexing. Experimental results on real-world urban datasets demonstrate that Sat2Flow outperforms both physics-based and data-driven baselines in numerical accuracy while preserving empirical distributions and spatial structures under index permutations.
Sat2Flow offers a globally scalable solution for OD flow generation in data-scarce urban environments, eliminating region-specific auxiliary data dependencies while maintaining structural invariance for robust mobility modeling. For reproducibility, we will release the code upon acceptance.

Sat2Flow: A Structure-Aware Diffusion Framework for Human Flow Generation from Satellite Imagery

Multi-Hop Question Answering (MHQA) requires step-by-step reasoning across multiple pieces of information to answer complex questions. The cache-aided Retrieval-Augmented Generation (RAG) can accelerate the process of external knowledge retrieval at each reasoning step for MHQA. However, existing methods focus on the internal structure and ignore the misalignment between the queries’ arrival order and cache hit order. To tackle this, we propose Mnemosyne, a cache hit order fitting method designed to accelerate the RAG progress for MHQA. Specifically, our cache-aware order fitting strategy adjusts the order of queries arrival via graph reordering to better align with the cache hit order, thereby reducing the likelihood of failed or unproductive retrieval attempts. The multi-granularity caching storage mechanism is designed to loosen the strict hit condition to multiple similar semantic matching modes, facilitating that relevant documents can still be retrieved. Experiments conducted on four multi-hop QA datasets demonstrate that Mnemosyne effectively reduces retrieval latency while enhancing task answer F1 score, achieving a superior trade-off between efficiency and effectiveness.

Mnemosyne: Accelerating Multi-Hop Question Answering via Cache Hit Order Fitting

Location-Based Social Network (LBSN) check-in trajectory data are important for many practical applications like POI recommendation, advertising, and pandemic intervention. However, the high collection costs and ever-increasing privacy concerns prevent us from accessing large-scale LBSN trajectory data. The recent advances in synthetic data generation provide us with a new opportunity to achieve this, which utilizes generative AI to generate synthetic data that preserves the characteristics of real data while ensuring privacy protection.
However, generating synthetic LBSN check-in trajectories remains challenging due to their spatially discrete, temporally irregular nature and the complex spatio-temporal patterns caused by sparse activities and uncertain human mobility.
To address this challenge, we propose GeoGen, a two-stage coarse-to-fine framework for large-scale LBSN check-in trajectory generation.
In the first stage, we reconstruct spatially continuous, temporally regular latent movement sequences from the original LBSN check-in trajectories and then design a Sparsity-aware Spatio-temporal Diffusion model (S$^2$TDiff) with an efficient denosing network to learn their underlying behavioral patterns.
In the second stage, we design Coarse2FineNet, a Transformer-based Seq2Seq architecture equipped with a dynamic context fusion mechanism in the encoder and a multi-task hybrid-head decoder, which generates fine-grained LBSN trajectories based on coarse-grained latent movement sequences by modeling semantic relevance and behavioral uncertainty.
Extensive experiments on four real-world datasets show that GeoGen excels state-of-the-art models for both fidelity and utility evaluation, e.g., it increases over 69\% and 55\% in distance and radius metrics on the FS-TKY dataset.

GeoGen: A Two-stage Coarse-to-Fine Framework for Fine-grained Synthetic Location-based Social Network Trajectory Generation

Compositional reasoning is a critical capability for multimodal models, enabling systematic understanding of complex scenes through structured combinations of objects, attributes, and relations. However, existing research on this ability primarily focuses on vision-language models (VLMs, e.g., CLIP and SigLIP), with limited exploration of multimodal large language models (MLLMs). To address this gap, we introduce CR³, a novel framework that enhances compositional reasoning abilities of MLLMs via rule-based reinforcement learning. CR³ leverages rule-based rewards to optimize the MLLM's policy on systematically curated multimodal instruction-following tasks, guided by a model-adaptive dynamic task mixing strategy. Our approach boosts performance by over 19% on three compositional reasoning benchmarks, significantly outperforming supervised fine-tuning (SFT) by at least 12%. Crucially, CR³ demonstrates superior generalization by improving performance on out-of-domain benchmarks where SFT methods degrade, highlighting its effectiveness and data efficiency.

CR³: Boosting Compositional Reasoning in MLLMs Through Rule-Based Reinforcement Learning

Recent advances in Large Language Models (LLMs) - particularly model scaling and test-time techniques - have greatly enhanced the reasoning capabilities of language models at the expense of higher inference costs. To lower inference costs, prior works train router models or deferral mechanisms that allocate easy queries to a small, efficient model, while forwarding harder queries to larger, more expensive models. However, these trained router models often lack robustness under domain shifts and require expensive data synthesis techniques such as Monte Carlo rollouts to obtain sufficient ground-truth routing labels for training. 
In this work, we propose Confidence-Guided Stepwise Model Routing for Cost-Efficient Reasoning (STEER), a domain-agnostic, framework that performs fine-grained, step-level routing between smaller and larger LLMs without utilizing external models. STEER leverages confidence scores from the smaller model’s logits prior to generating a reasoning step, so that the large model is invoked only when necessary. 
Extensive evaluations using different LLMs on a diverse set of challenging benchmarks across multiple domains such as Mathematical Reasoning, Multi-Hop QA, and Planning tasks indicate that STEER achieves competitive or enhanced accuracy while reducing inference costs (up to $+20\%$ accuracy with $48\%$ less FLOPs compared to solely using the larger model on AIME), outperforming baselines that rely on trained external modules.
Our results establish model-internal confidence as a robust, domain-agnostic signal for model routing, offering a scalable pathway for efficient LLM deployment.

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