AAAI 2026 论文列表

Modeling genomic sequences faces two unsolved challenges: the information density varies widely across different regions, while there is no clearly defined minimum vocabulary unit. Relying on either four primitive bases or independently designed DNA tokenizers, existing approaches with naive masked language modeling pre-training often fail to adapt to the varying complexities of genomic sequences. Leveraging Token Merging techniques, this paper introduces a hierarchical architecture that jointly optimizes a dynamic genomic tokenizer and latent Transformers with context-aware pre-training tasks. As for network structures, the tokenization module automatically chunks adjacent bases into words by stacking multiple layers of the differentiable token merging blocks with local-window constraints, then a Latent Encoder captures the global context of these merged words by full-attention blocks. Symmetrically employing a Latent Decoder and a Local Decoder, MergeDNA learns with two pre-training tasks: Merged Token Reconstruction simultaneously trains the dynamic tokenization module and adaptively filters important tokens, while Adaptive Masked Token Modeling learns to predict these filtered tokens to capture informative contents. Extensive experiments show that MergeDNA achieves superior performance on three popular DNA benchmarks and several multi-omics tasks with fine-tuning or zero-shot evaluation, outperforming typical tokenization methods and large-scale DNA foundation models.

Protein-Ligand Affinity (PLA) prediction quantifies the interaction strength to guide rational drug design. Existing approaches typically analyze interaction at a single granularity and overlook tightly coupled relationships between protein and ligand in both structure and functionality, consequently yielding suboptimal representations, leading to significant performance drops in real-world scenarios. To address this problem, we propose PLA-MGRA, a minimalist and effective PLA prediction framework. Specifically, PLA-MGRA captures both fine-grained atomic details and coarse grained functional semantics within the 3D structure of protein–ligand complexes, through multi-granularity learning. To further parse the coupled protein–ligand relationships, we design relation-aware learning to enhance the binding nature of representations. Extensive experiments demonstrate that our method achieves state-of-the-art performance on multiple protein–ligand affinity prediction benchmarks, while also offering generalizability and interpretability.

Large language models (LLMs) exhibit strong generative capabilities and have shown great potential in code generation. Existing chain-of-thought (CoT) prompting methods enhance model reasoning by eliciting intermediate steps, but suffer from two major limitations: First, their uniform application tends to induce overthinking on simple tasks. Second, they lack intention abstraction in code generation, such as explicitly modeling core algorithmic design and efficiency, leading models to focus on surface-level structures while neglecting the global problem objective. Inspired by the cognitive economy principle of engaging structured reasoning only when necessary to conserve cognitive resources, we propose RoutingGen, a novel difficulty-aware routing framework that dynamically adapts prompting strategies for code generation. For simple tasks, it adopts few-shot prompting; for more complex ones, it invokes a structured reasoning strategy, termed Intention Chain-of-Thought (ICoT), which we introduce to guide the model in capturing task intention, such as the core algorithmic logic and its time complexity. Experiments across three models and six standard code generation benchmarks show that RoutingGen achieves state-of-the-art performance in most settings, while reducing total token usage by 46.37% on average across settings. Furthermore, ICoT outperforms six existing prompting baselines on challenging benchmarks.

Modeling stochastic dynamics from discrete observations is a key interdisciplinary challenge. Existing methods often fail to estimate the continuous evolution of probability densities from trajectories or face the curse of dimensionality. To address these limitations, we presents a novel paradigm: modeling dynamics directly in the weight space of a neural network by projecting the evolving probability distribution. We first theoretically establish the connection between dynamic optimal transport in measure space and an equivalent energy functional in weight space. Subsequently, we design WeightFlow, which constructs the neural network weights into a graph and learns its evolution via a graph controlled differential equation. Experiments on interdisciplinary datasets show that WeightFlow improves performance by an average of 43.02\% over state-of-the-art methods, providing an effective and scalable solution for modeling high-dimensional stochastic dynamics.

The increasing prominence of short video platforms has positioned them as a primary channel for public awareness of current events, while also facilitating the widespread dissemination of fake news, thus highlighting the critical need for automated detection technologies. In contrast to fake news confined to text and images, short video news encompasses multiple modalities and extensive information, presenting heightened challenges. Most existing research emphasizes the analysis of news content or user comments alone, while overlooking the crucial role of publishers, leading to poor model performance when handling fake news lacking obvious false signals. Therefore, we propose a Publisher Profiling Module to identify new false signals. To enable a more comprehensive detection of misinformation, we design a Multi-View Aggregation (MVA) model, simultaneously evaluating news from three distinct perspectives: sentiment analysis, content understanding, and publisher profiling. Late fusion is applied at the decision level to leverage the complementary strengths of these perspectives, addressing the limitations of single-view methods. Our experiments conducted on the FakeSV and FVC datasets demonstrate the superior performance of the proposed method.

Understanding how chemical perturbations propagate through biological systems is essential for robust molecular property prediction. While most existing methods focus on chemical structures alone, recent advances highlight the crucial role of cellular responses such as morphology and gene expression in shaping drug effects. However, current cell-aware approaches face two key limitations: (1) modality incompleteness in external biological data, and (2) insufficient modeling of hierarchical dependencies across molecular, cellular, and genomic levels. We propose CHMR (Cell-aware Hierarchical Multi-Modal Representations), a robust framework that jointly models local-global dependencies between molecules and cellular responses and captures latent biological hierarchies via a novel tree-structured vector quantization module. Evaluated on public benchmarks spanning 696 tasks, CHMR outperforms state-of-the-art baselines, yielding average improvements of 3.6% on classification and 17.2% on regression tasks. These results demonstrate the advantage of hierarchy-aware, multi-modal learning for reliable and biologically grounded molecular representations, offering a generalizable framework for integrative biomedical modeling.

Precise estimation and uncertainty quantification for average crop yields are critical for agricultural monitoring and decision making. Existing data collection methods, such as crop cuts in randomly sampled fields at harvest time, are relatively time-consuming. Thus, we propose an approach based on prediction-powered inference (PPI) to supplement these crop cuts with less time-consuming field photos. After training a computer vision model to predict the ground truth crop cut yields from the photos, we learn a "control function" that recalibrates these predictions with the spatial coordinates of each field. This enables fields with photos but not crop cuts to be leveraged to improve the precision of zone-wide average yield estimates. Our control function is learned by training on a dataset of nearly 20,000 real crop cuts and photos of rice and maize fields in sub-Saharan Africa. To improve precision, we pool training observations across different zones within the same first-level subdivision of each country. Our final PPI-based point estimates of the average yield are provably asymptotically unbiased and cannot increase the asymptotic variance beyond that of the natural baseline estimator --- the sample average of the crop cuts --- as the number of fields grows. We also propose a novel bias-corrected and accelerated (BCa) bootstrap to construct accompanying confidence intervals. Even in zones with as few as 20 fields, the point estimates show significant empirical improvement over the baseline, increasing the effective sample size by as much as 73% for rice and by 12-23% for maize. The confidence intervals are accordingly shorter at minimal cost to empirical finite-sample coverage. This demonstrates the potential for relatively low-cost images to make area-based crop insurance more affordable and thus spur investment into sustainable agricultural practices.

Metasurfaces are ultrathin, engineered materials composed of nanostructures that manipulate light in ways unattainable by natural materials. Recent advances have leveraged computational optimization, machine learning, and deep learning to automate their design. However, existing approaches exhibit two fundamental limitations: (1) they often restrict the model to generating only a subset of design parameters, and (2) they rely on heavily downsampled spectral targets, which compromises both the novelty and accuracy of the resulting structures. The core challenge lies in developing a generative model capable of exploring a large, unconstrained design space while precisely capturing the intricate physical relationships between material parameters and their high-resolution spectral responses. In this paper, we introduce MetaDiT, a novel framework for high-fidelity metasurface design that addresses these limitations. Our approach leverages a robust spectrum encoder pretrained with contrastive learning, providing strong conditional guidance to a Diffusion Transformer-based backbone. Experiments demonstrate that MetaDiT outperforms existing baselines in spectral accuracy, we further validate our method through extensive ablation studies.

The advent of multimodal large language models (MLLMs) has sparked interest in their application to electrocardiogram (ECG) analysis. However, existing ECG-focused MLLMs primarily focus on report generation tasks, often limited to single 12-lead, short-duration (10s) ECG inputs, thereby underutilizing the potential of MLLMs. To this end, we aim to develop a MLLM for ECG analysis that supports a broader range of tasks and more flexible ECG inputs. However, existing ECG-QA datasets are often monotonous. To address this gap, we first constructed the anyECG dataset, which encompasses a wide variety of tasks, including report generation, abnormal waveform localization, and open-ended question answering. In addition to standard hospital ECGs, we introduced long-duration reduced-lead ECGs for home environments and multiple ECG comparison scenarios commonly encountered in clinical practice. Furthermore, we propose the anyECG-chat model, which supports dynamic-length ECG inputs and multiple ECG inputs. We trained the model using a three-stage curriculum training recipe with the anyECG dataset. A comprehensive evaluation was conducted, demonstrating that anyECG-chat is capable of supporting various practical application scenarios, including not only common report generation tasks but also abnormal waveform localization for long-duration reduced-lead ECGs in home environments and comprehensive comparative analysis of multiple ECGs.

The proliferation of multimodal misinformation poses growing threats to public discourse and societal trust. While Large Vision-Language Models (LVLMs) have enabled recent progress in multimodal misinformation detection (MMD), the rise of generative AI (GenAI) tools introduces a new challenge: GenAI-driven news diversity, characterized by highly varied and complex content. We show that this diversity induces multi-level drift, comprising (1) model-level misperception drift, where stylistic variations disrupt a model’s internal reasoning, and (2) evidence-level drift, where expression diversity degrades the quality or relevance of retrieved external evidence. These drifts significantly degrade the robustness of current LVLM-based MMD systems. To systematically study this problem, we introduce DriftBench, a large-scale benchmark comprising 16,000 news instances across six categories of diversification. We design three evaluation tasks: (1) robustness of truth verification under multi-level drift; (2) susceptibility to adversarial evidence contamination generated by GenAI; and (3) analysis of reasoning consistency across diverse inputs. Experiments with six state-of-the-art LVLM-based detectors show substantial performance drops (average F1 ↓ 14.8%) and increasingly unstable reasoning traces, with even more severe failures under adversarial evidence injection. Our findings uncover fundamental vulnerabilities in existing MMD systems and suggest an urgent need for more resilient approaches in the GenAI era.

Understanding whether large language models (LLMs) and the human brain converge on similar computational principles remains a fundamental and important question in cognitive neuroscience and AI. Do the brain-like patterns observed in LLMs emerge simply from scaling, or do they reflect deeper alignment with the architecture of human language processing? This study focuses on the sentence-level neural mechanisms of language models, systematically investigating how layer-wise representations in LLMs align with the dynamic neural responses during human sentence comprehension. By comparing hierarchical embeddings from 14 publicly available LLMs with fMRI data collected from participants, who were exposed to a naturalistic narrative story, we constructed sentence-level neural prediction models to identify the model layers most significantly correlated with brain region activations. Results show that improvements in model performance drive the evolution of representational architectures toward brain-like hierarchies, particularly achieving stronger functional and anatomical correspondence at higher semantic abstraction levels. These findings advance our understanding of the computational parallels between LLMs and the human brain, highlighting the potential of LLMs as models for human language processing.

The rapid growth of Ethereum has made it more important to quickly and accurately detect smart contract vulnerabilities. While machine learning-based methods have shown some promise, many still rely on rule-based preprocessing designed by domain experts. Rule-based preprocessing methods often discard crucial context from the source code, potentially causing certain vulnerabilities to be overlooked and limiting adaptability to newly emerging threats. We introduce BugSweeper, an end-to-end deep learning framework that detects vulnerabilities directly from the source code without manual engineering. BugSweeper represents each Solidity function as a Function-Level Abstract Syntax Graph (FLAG), a novel graph that combines its Abstract Syntax Tree (AST) with enriched control-flow and data-flow semantics. Then, our two-stage Graph Neural Network (GNN) analyzes these graphs. The first-stage GNN filters noise from the syntax graphs, while the second-stage GNN conducts high-level reasoning to detect diverse vulnerabilities. Extensive experiments on real-world contracts show that BugSweeper significantly outperforms all state-of-the-art detection methods. By removing the need for handcrafted rules, our approach offers a robust, automated, and scalable solution for securing smart contracts without any dependence on security experts.

Recent advances in large language models (LLMs) have shown great potential to accelerate drug discovery. However, the specialized nature of biochemical data often necessitates costly domain-specific fine-tuning, posing critical challenges. First, it hinders the application of more flexible general-purpose LLMs in cutting-edge drug discovery tasks. More importantly, it limits the rapid integration of the vast amounts of scientific data continuously generated through experiments and research. Compounding these challenges is the fact that real-world scientific questions are typically complex and open-ended, requiring reasoning beyond pattern matching or static knowledge retrieval. To address these challenges, we propose CLADD, a retrieval-augmented generation (RAG)-empowered agentic system tailored to drug discovery tasks. Through the collaboration of multiple LLM agents, CLADD dynamically retrieves information from biomedical knowledge bases, contextualizes query molecules, and integrates relevant evidence to generate responses - all without the need for domain-specific fine-tuning. Crucially, we tackle key obstacles in applying RAG workflows to biochemical data, including data heterogeneity, ambiguity, and multi-source integration. We demonstrate the flexibility and effectiveness of this framework across a variety of drug discovery tasks, showing that it outperforms general-purpose and domain-specific LLMs as well as traditional deep learning approaches.

Despite recent advancements in font generation, practitioners still grapple with a laborious trial-and-error workflow. To streamline this, we propose OneFont, an end-to-end framework that interprets user intents via free-form dialogue, seamlessly integrating both glyph synthesis and refinement modules. We introduce the Font with Thought (FwT) paradigm, reframing font design as a reasoning task where the model plans actions and articulates design rationales. OneFont’s core planner is trained via a two-stage regimen to master this paradigm. First, we instill reasoning abilities via Supervised Fine-Tuning (SFT) on a new, comprehensive benchmark of 1,500 font families we built. Second, we refine the model's policy with a novel reinforcement learning algorithm, Group Relative Policy Optimization (GRPO), guided by a hybrid reward that assesses visual fidelity, rationale coherence, and transformation correctness. Extensive experiments show OneFont significantly surpasses existing methods in design quality and stroke precision across diverse scripts, validated on our new benchmark. We will release our dataset, code, and models.

Navigating human-populated environments without causing discomfort is a critical capability for socially-aware agents. While rule-based approaches offer interpretability through predefined psychological principles, they often lack generalizability and flexibility. Conversely, data-driven methods can learn complex behaviors from large-scale datasets, but are typically inefficient, opaque, and difficult to align with human intuitions. To bridge this gap, we propose RLSLM, a hybrid Reinforcement Learning framework that integrates a rule-based Social Locomotion Model, grounded in empirical behavioral experiments, into the reward function of a reinforcement learning framework. The social locomotion model generates an orientation-sensitive social comfort field that quantifies human comfort across space, enabling socially aligned navigation policies with minimal training. RLSLM then jointly optimizes mechanical energy and social comfort, allowing agents to avoid intrusions into personal or group space. A human-agent interaction experiment using an immersive VR-based setup demonstrates that RLSLM outperforms state-of-the-art rule-based models in user experience. Ablation and sensitivity analyses further show the model’s significantly improved interpretability over conventional data-driven methods. This work presents a scalable, human-centered methodology that effectively integrates cognitive science and machine learning for real-world social navigation.

Retrieving targeted pathways in biological knowledge bases, particularly when incorporating wet-lab experimental data, remains a challenging task and often requires downstream analyses and specialized expertise. In this paper, we frame this challenge as a solvable graph learning and explaining task and propose a novel subgraph inference framework, ExPath, that explicitly integrates experimental data to classify various graphs (bio-networks) in biological databases. The links (representing pathways) that contribute more to classification can be considered as targeted pathways. Our framework can seamlessly integrate biological foundation models to encode the experimental molecular data. We propose ML-oriented biological evaluations and a new metric. The experiments involving 301 bio-networks evaluations demonstrate that pathways inferred by ExPath are biologically meaningful, achieving up to 4.5× higher Fidelity+ (necessity) and 14× lower Fidelity- (sufficiency) than explainer baselines, while preserving signaling chains up to 4× longer.

Neural operators have emerged as a promising paradigm for learning solution operators of partial differential equations (PDEs) directly from data. Existing methods, such as those based on Fourier or graph techniques, make strong assumptions about the structure of the kernel integral operator, assumptions which may limit expressivity. We present SVD-NO, a neural operator that explicitly parameterizes the kernel by its singular-value decomposition (SVD) and then carries out the integral directly in the low-rank basis. Two lightweight networks learn the left and right singular functions, a diagonal parameter matrix learns the singular values, and a Gram-matrix regularizer enforces orthonormality. As SVD-NO approximates the full kernel, it obtains a high degree of expressivity. Furthermore, due to its low-rank structure the computational complexity of applying the operator remains reasonable, leading to a practical system. In extensive evaluations on five diverse benchmark equations, SVD-NO achieves a new state of the art. In particular, SVD-NO provides greater performance gains on PDEs whose solutions are highly spatially variable.

Adversarial perturbations (APs) have become a great concern in image classification tasks. The most challenging branch, universal adversarial perturbations (UAPs), are exploited to fool most of the unseen samples. Such one-to-all perturbations have the merit of transferability, which has strong practical significance. In this paper, we firstly define the transferability gap and the algorithm stability of the UAP algorithm, and prove the relationship between them. In analyzing the UAP algorithm stability, we prove that the convergence domain of existing UAP algorithms with dynamic constraints is excessively small, which degrades the capacity of UAPs. Thus, we further propose a new expected constraint and prove that UAPs in the expected constraint suit any sample in a high probability. Besides, we propose a Stochastic Universal Adversarial Perturbation (SUAP) that involves additive noise and the expected constraint. Finally, by treating the proposed algorithm as a stochastic differential equation, we prove an upper bound of the UAP algorithm stability of SUAP, which decreases exponentially at the beginning and then increases with a sublinear rate to at most a fixed constant. Experimental results show that SUAP is aligned with our analysis.

While LLMs have shown great success in financial tasks like stock prediction and question answering, their application in fully automating Equity Research Report generation remains uncharted territory. In this paper, we formulate the Equity Research Report (ERR) Generation task for the first time. To address the data scarcity and the evaluation metrics absence, we present an open-source evaluation benchmark for ERR generation - FinRpt. We frame a Dataset Construction Pipeline that integrates 7 financial data types and produces a high-quality ERR dataset automatically, which could be used for model training and evaluation. We also introduce a comprehensive evaluation system including 11 metrics to assess the generated ERRs. Moreover, we propose a multi-agent framework specifically tailored to address this task, named FinRpt-Gen, and train several LLM-based agents on the proposed datasets using Supervised Fine-Tuning and Reinforcement Learning. Experimental results indicate the data quality and metrics effectiveness of the benchmark FinRpt and the strong performance of FinRpt-Gen, showcasing their potential to drive innovation in the ERR generation field. All code and datasets are publicly available.