Central nervous system (CNS) drug discovery is constrained by an immense and sparse chemical search space. Meanwhile, molecules that simultaneously achieve brain penetration, target efficacy, and synthesizability are extremely scarce. However, existing generative models rarely couple rigorous multi-objective control with robustness to distribution shift, limiting their reliability in realistic CNS design. We introduce D²G-TO, a task-aware and out of-distribution (OOD)-guided discrete graph diffusion framework that unifies multi-pharmacological properties with structural distribution guidance. A novel Structural Similarity Guidance mechanism steers generation toward in-distribution regions while repelling OOD modes, maintaining structural distributional consistency in realistic scenarios. Across BBBP, BACE, and QM9 benchmarks, D²G-TO achieves strong validity, diversity, and other metrics. In an Alzheimer's disease case study, we subject the generated molecules to cross-property pharmacological prediction and systematic ADMET profiling, followed by structure based molecular docking against BACE-1 to assess binding-mode plausibility. D²G-TO identifies candidates that jointly satisfy blood–brain barrier permeability, β-site amyloid precursor protein cleaving enzyme 1 inhibition, and synthetic accessibility. Thus, D²G-TO has the potential to serve as an efficient in silico engine for early-stage CNS drug design. The code is available at https://github.com/zhaix922/DDG_TO.
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The scarcity of paired gene expression and pathology images datasets poses a major bottleneck for training large-scale pathology foundation models. Although gene-to-image generative models offer a promising solution, existing methods typically employ coarse-grained conditional control strategies, resulting in entanglement between background textures and cell layouts. To address this challenge, we propose GeneCaDiff, a three-stage cascaded diffusion model that explicitly aligns the generative process with the hierarchical organization of biological tissues. Two conditional DDPMs independently synthesize tissue backgrounds and cellular foreground components, and a subsequent ControlNet-based fusion generator utilizes niche and cellular community maps as dual conditions to synthesize realistic tissue images. Quantitative and qualitative evaluations demonstrate strong realism and diversity, while controllability experiments validate hierarchical, decoupled control over niche textures and community layouts.
Generating executable tool plans requires selecting appropriate subsets from tool libraries, a combinatorial search problem with an exponentially large solution space. However, we identify a critical misalignment in predominant approaches: standard autoregressive (AR) decoding suffers from early commitment, where initial token choices rigidly constrain the search trajectory. A controlled study shows that masked denoising raises Pass@10 solution coverage from 0.320 to 0.943 over AR sampling under matched compute. Motivated by this, we propose DiG-Plan, a framework that decouples combinatorial exploration from structural refinement. DiG-Plan employs a diffusion-based proposer to generate diverse tool sets via iterative refinement, followed by an AR refiner for dependency prediction. On TaskBench, DiG-Plan improves over AR baselines by a 10% relative margin, with the largest gains on complex compositional tasks; API-Bank results show that the propose-refine-select design remains effective across domains. Code is available at https://github.com/puddingyeah/DiG-Plan.
Text-to-Image (T2I) diffusion models have been widely adopted due to their strong generative capabilities, while Low-Rank Adaptation (LoRA) has emerged as an efficient mechanism for customizing these models for diverse creative and commercial applications. This trend has fostered LoRA-centric service platforms that that enable the customization and commercial distribution of LoRA modules according to user requirements. However, the growing prevalence of LoRA and its critical role in customized AI services have raised urgent concerns about LoRA copyright protection. To address this gap, we propose LoRA2D, an authorized dual-watermarking framework specifically designed to protect LoRA modules in T2I diffusion models. LoRA2D integrates license-based authorization control with explicit watermarks as visible deterrents for unauthorized or trial usage, which can be removed upon valid authorization, while persistently embedding an implicit watermark for robust black-box ownership verification. Extensive experiments on multiple image-generation datasets demonstrate the effectiveness and practicality of LoRA2D for securing copyrights in LoRA-adapted T2I diffusion models.
Semantic watermarking methods, embedding identity into the initial latent noise, provide an imperceptible identity traceability for diffusion models in copyright protection and source verification. However, existing methods are highly vulnerable to adversarial attacks, especially geometric transformations (e.g., rotation, cropping) and latent-space manipulations via proxy models, limiting the reliability of watermark verification in practical deployment. To address this issue, we propose a robust and fully reversible, flow-based watermarking framework with dual encoding paths, which preserves high visual fidelity of watermarked image while ensuring resilient identity recovery under adversarial attacks. Specifically, a dual-path network is proposed to encode watermark information into both the generated image and the owner’s secret key. This network leverages Mutual Information Redundancy to recover compromised information under single-path attack, ensuring robust verification. To enhance verification credibility without degrading generation quality, we introduce a joint training strategy that suppresses false positives on negative samples through contrastive learning under fidelity constraints. Furthermore, we employ a backward Euler iteration scheduler for rectified flow models, which facilitate accurate inversion mapping, to enable effective watermark verification, which accurate inversion. Extensive experiments show that our method achieves superior robustness against various adversarial attacks while maintaining high visual quality across diverse generative models.
Identifying meaningful latent representations within diffusion models remains a challenging problem for causal approaches. We propose Causal Manifold Transport Diffusion Model (CMT-Diff), a framework that operationalizes causal actions as geometric transformations. By adopting the perspective of backtracking counterfactuals, we formulate the generative process as a composite diffeomorphism that couples the Probability Flow ODE with a Continuous Normalizing Flow. This mapping constructs an exogenous manifold where causal factors align with coordinate variations. Within this geometry, we derive Causal Manifold Transport (CMT) to realize interventions as linear vector translations along factor-aligned directions. We establish theoretical identifiability guarantees and demonstrate that our approach facilitates controllable generation by capturing the underlying causal manifold.
Understanding how information or influence propagates through a network, such as during an epidemic outbreak or the spread of misinformation, is a fundamental yet challenging problem. While prior works have focused on cascade prediction (forecasting future infected nodes), network inference (recovering latent global diffusion graphs), or source localization (identifying diffusion's origin), these approaches do not recover the actual "who-infected-whom" propagation tree for a specific diffusion instance. We introduce DIPT (Deep Identification of Propagation Trees), a probabilistic framework that infers propagation trees from final observed node diffusion states, without knowledge of the underlying diffusion mechanism. DIPT models local influence strengths between nodes and uses a discrete-continuous alternating optimization strategy to jointly learn the diffusion mechanism and infer the propagation structure. Empirical results across eight real-world datasets demonstrate that DIPT consistently outperforms existing approaches in reconstructing propagation trees.
Recent progress of voice conversion (VC) has achieved a new milestone in speaker cloning and linguistic preservation. But the field remains fragmented, relying on specialized models for linguistic-preserving, expressive, and singing scenarios. We propose OneVoice, a unified zero-shot framework capable of handling all three scenarios within a single model. OneVoice is built upon a continuous language model trained with VAE-free next-patch diffusion, ensuring high fidelity and efficient sequence modeling. Its core design for unification lies in a Mixture-of-Experts (MoE) designed to explicitly model shared conversion knowledge and scenario-specific expressivity. Expert selection is coordinated by a dual-path routing mechanism, including shared expert isolation and scenario-aware domain expert assignment with global-local cues. For precise conditioning, scenario-specific prosodic features are fused into each layer via a gated mechanism, allowing adaptive usage of prosody information. Furthermore, to enable the core idea and alleviate the imbalanced issue (abundant speech vs. scarce singing), we adopt a two-stage progressive training that includes foundational pre-training and scenario enhancement with LoRA-based domain experts. Experiments show that OneVoice matches or surpasses specialized models across all three scenarios, while verifying flexible control over scenarios and offering a fast decoding version as few as 2 steps. Audio samples are available at https://kerwinchao.github.io/OneVoice/.
Decentralized Multi Agent Reinforcement Learning (MARL) faces a fundamental dilemma in real world deployments: agents must operate under epistemic fragmentation, where local observations are severely occluded, while navigating heterogeneous value landscapes, where sparse, critical events carry disproportionately high stakes. Existing paradigms typically decouple state estimation from policy optimization, guiding perception modules merely to minimize uniform reconstruction error. This leads to a Perception Value Misalignment, where agents squander computational resources reconstructing task irrelevant background noise while failing to resolve uncertainties in high value regions. To bridge this gap, we propose EVA-Gen (Epistemic Value Alignment via Generative Models) that establishes a cybernetic loop between generative perception and value based decision making. We formulate the Value Conditioned Reconstruction Paradigm, establishing that optimal perception under resource constraints is functionally weighted by the gradient of the value function. EVA-Gen couples Backward Flow to steer diffusion toward high stakes manifolds, Collaborative Information Bottleneck to filter communication for value relevant consensus, and Risk Sensitive Rectification to prevent sparse signal dilution, synergistically closing the perception control loop. Empirically, we demonstrate that EVA-Gen achieves superior performance in three value-heterogeneous multi agent environments.
Pansharpening aims to fuse a high-resolution panchromatic (PAN) image with a low-resolution multispectral (MS) image to generate a highresolution multispectral output that preserves both fine spatial details and faithful spectral responses. However, enhancing spatial textures without introducing spectral distortion remains challenging due to the inherent spectral–spatial trade-off. To address this issue, we propose a two-stage pansharpening framework that tackles the problem from both modeling and optimization perspectives. In the first stage, we formulate pansharpening as spectral-prior conditioned residual diffusion, where a stable spectral base constrains the generation process and allows the diffusion model to focus on PAN-guided high-frequency details, leading to improved training stability and reduced spectral drift. To better capture the coupled spatial and frequency characteristics of PAN–MS fusion, we adopt a complex-valued denoising network to enhance spectral–spatial interaction modeling. In the second stage, to bridge the gap between distortionoriented training objectives and practical quality preferences, we introduce Group Relative Preference Optimization (GRPO) to fine-tune the diffusion model using multi-objective preference signals, explicitly balancing spectral fidelity, texture sharpness, and perceptual quality. Extensive experiments on standard benchmarks demonstrate that the proposed method achieves a more favorable trade-off between fidelity and perceptual quality compared to competitive end-to-end and diffusionbased approaches.
While class-agnostic object counting has recently evolved from image-exemplar to language-guided paradigms, existing methods are limited by text polysemy and the lack of prompts in audio-sensing scenarios. To overcome these challenges, we introduce a sound-centric counting paradigm, enabling models to "listen and count" using the vivid and discriminative signatures of sound cues. We propose S2ICount, which achieves seamless, fine-grained audio-visual alignment for sound-guided counting. At its core, SoundMamba leverages linear-complexity long-range semantic modelling to align cross-modal features, while the Sound Calibration Module designs a circular scanning mechanism to progressively reconcile modality discrepancies using multi-scale cues from a Stable Diffusion backbone. To enhance saliency awareness, a Multi-tier Hybrid Optimization strategy enforces consistency across magnitude, semantics, and distribution. In addition, we introduce SoundCount, the first large-scale sound-oriented counting dataset, comprising over 2,000 scenes and 1,650 audio sources across 66 object categories. Extensive experiments demonstrate that S2ICount achieves state-of-the-art performance, validating the effectiveness of sound as a robust guidance modality for counting. The dataset, demo and implementation code are made publicly accessible at https://github.com/ZSTU-CV-Lab/S2ICount.
Accurately predicting the popularity of information cascades facilitates the development of social media network applications. During the cascade propagation process, user-generated comments continually evolve, thereby substantially affecting overall information popularity. However, existing methods primarily focus on learning structural–temporal cascade dynamics while neglecting the modeling of user-generated comment evolution, leading to suboptimal predictions. In this paper, we propose a novel framework, CasUGC, that aligns Cascade dynamics with User-Generated Comment evolution for popularity prediction. Specifically, we develop a dual-granularity alignment strategy that bridges the representation gap between comment semantics and structural–temporal dynamics at both the user and cascade levels. Building on this alignment, we further design a dynamic cascade feature generation module to produce temporally enhanced cascade embeddings. To further address the inherent uncertainties in both alignment and prediction, we introduce two diffusion-based components: a cascade-level diffusion network that learns a latent distribution mapping between semantic and structural–temporal representations, and a second diffusion process that captures the stochasticity of propagation dynamics for robust prediction. Extensive experiments conducted on four real-world social media datasets demonstrate the superiority of CasUGC over state-of-the-art methods.
Parameter-efficient fine-tuning (PEFT) has emerged as an critical technique for adapting large-scale foundation models across natural language processing and computer vision. While existing methods such as low-rank adaptations achieve parameter efficiency via low-rank weight updates, they are limited in their ability to preserve the geometric structure of pretrained representations. We introduce Low-rank Compositional Orthogonal fine-tuning (LoCO), a novel PEFT method that constructs orthogonal transformations through low-rank skew-symmetric matrices and compositional rotation chains. We propose an approximation scheme that enables fully parallel computation of compositional rotations, making the approach practical for high-dimensional feature spaces. Our method maintains low computational complexity while maintaining orthogonality with controlled approximation error. We validate LoCO across diverse domains, including diffusion transformer fine-tuning, vision transformer adaptation, and language model adaptation. Our approach demonstrates superior or competitive performance compared to both existing orthogonal and non-orthogonal baselines.
Diffusion models have achieved remarkable success in video generation; however, the high computational cost of the denoising process remains a major bottleneck. Existing approaches have shown promise in reducing the number of diffusion steps, but they often suffer from significant quality degradation when applied to video generation. We propose Guided Progressive Distillation (GPD), a framework that accelerates the diffusion process for fast and high-quality video generation. GPD introduces a novel training strategy in which a teacher model progressively guides a student model to operate with larger step sizes. The framework consists of two key components: (1) an online-generated training target that reduces optimization difficulty while improving computational efficiency, and (2) frequency-domain constraints in the latent space that promote the preservation of fine-grained details and temporal dynamics. Applied to the Wan2.1 model, GPD reduces the number of sampling steps from 48 to 6 while maintaining competitive visual quality on VBench. Compared with existing distillation methods, GPD demonstrates clear advantages in both pipeline simplicity and quality preservation.
Denoising Diffusion Codebook Models (DDCM) have emerged as a promising framework for zero-shot image compression by replacing stochastic sampling with discrete selection from a reproducible Gaussian codebook. By greedily picking noise vectors that best match the target image, DDCM encodes the generative trajectory into a compact sequence of indices for image compression. However, the target-guided noise selection provides only coarse guidance as the discrepancy between the denoiser's output and the target image is substantial. This discrepancy inevitably results in trajectory drift, necessitating massive codebooks to span the enlarged search space and extensive inference steps to gradually compensate for the deviation. In this paper, we propose the Trajectory-Consistent Diffusion Codebook Model (TC-DDCM) to address these inefficiencies. Rather than approximating the distant target, TC-DDCM navigates the generative process by strictly tracking a pre-computed inversion trajectory. This paradigm shift yields two critical advantages: 1) By minimizing the deviation to the proximal reference state along the trajectory, the search space is drastically shrunk, resulting in significantly smaller codebooks. 2) By aligning the generative steps with inversion methods, TC-DDCM achieves optimal reconstruction in a few inference steps. Extensive experiments demonstrate that TC-DDCM significantly outperforms state-of-the-art zero-shot methods in rate-distortion-perception performance at ultra-low bitrates, making zero-shot diffusion-based compression practical.
Many scientific and engineering applications require estimating unknown parameters from experimentally observable data -- an inverse problem that is inherently challenging due to nonlinearity, noise, and ill-posedness. In this paper, we propose an active diffusion-based inverse problem solver. A diffusion model is trained to learn the mapping between the parameter space and the observable space. By iteratively detecting and correcting model misspecification through posterior uncertainty, the method discovers and learns the correct region of parameter space, even when initial training bounds exclude the true parameters. This provides a principled, Bayesian justification for adaptive domain augmentation and ensures robust inference for inverse problems under incomplete prior knowledge. We demonstrate the effectiveness of our inverse solver for a toy inverse problem with infinite solutions, and for the parameterization of the quantum correlation functions to event observables in a Quantum Chromodynamics analysis of nucleon structure.
Deep hashing is widely used for large-scale image retrieval but remains vulnerable to adversarial examples, raising practical security concerns. Existing targeted adversarial attacks on deep hashing typically rely on lp-norm constrained perturbations, which struggle to balance attack effectiveness and imperceptibility, often requiring perceptible noise and limiting their practicality in real-world retrieval scenarios. We propose UTDHA, the first unrestricted targeted attack for deep hashing models using contrastive-guided latent diffusion. UTDHA generates adversarial examples with a latent diffusion model and performs optimization in the latent space rather than the pixel space, enabling semantic manipulation while preserving image naturalness. Through contrastive guidance, the attack pulls adversarial examples toward the target label while pushing them away from non-target labels. Meanwhile, UTDHA enforces structural and perceptual consistency, producing adversarial examples that are both imperceptible and visually natural. Extensive experiments on three benchmarks demonstrate that UTDHA outperforms existing targeted adversarial attack baselines for deep hashing models in both attack effectiveness and imperceptibility.
We study influence maximization in general stochastic models, the observed cascades model, and the independent cascade (IC) model. For general stochastic models with only black-box sample access, we introduce a low-adaptivity optimization framework that improves sample complexity and running time over the prior work and is instrumental to all our results. We further introduce an adaptive algorithm guided by empirical variance, avoiding pessimistic worst-case bounds. Combining our optimization framework with sketching, we obtain the first algorithm with provable guarantees and nearly-linear running time for influence maximization on observed cascades, optimal up to logarithmic factors. For IC, we prove a novel tail bound replacing a factor n with 𝜏 (the number of diffusion steps) in sample complexity, improving over prior work when 𝜏 is small, as is common due to small-world phenomena. Experiments confirm substantial speedups while maintaining solution quality.
Recently, diffusion models have been applied to reformulate the regressive portrait matting task as a gradual denoising-driven generative process, alleviating the inherent limitations of discriminative models via iterative error correction. However, due to the lack of high-quality ground-truth mattes, existing generative methods for portrait matting still suffer from severe detail degradation, especially in structurally delicate hair strands and pixels with ambiguous colors and context. To address these challenges, we propose OrienDiffusion, a diffusion-based framework tailored for fine-grained portrait matting. Specifically, we construct a Hair Orientation Field to conditionally guide the denoising process, constraining the generation toward authentic structural consistency in hair regions. Furthermore, instead of relying on overly encoded deep features or ambiguous original color cues as existing methods do, we develop a Pixel Color-anchored Local Structure Embedding approach, which models alpha matte transitions as local structural variations, achieving accurate alpha estimation in pixels with ambiguous colors or context. Extensive experiments on multiple portrait matting datasets demonstrate that OrienDiffusion achieves state-of-the-art performance in these matting challenging regions. Code is available at https://github.com/xtz0001/OrienDiffusion.
4DVarGen: A 4D Variational-Inspired Generative Model for Eddy-Resolving Surface Ocean Reconstruction
Sea surface variable reconstruction from sparse observations is a key ocean-science challenge. Traditional methods, such as the four-dimensional variational (4DVar) approach, rely on numerical models for background information, leading to high computational costs. Deep learning methods are more efficient but often fail to capture eddy dynamics, resulting in limited effective resolution. We propose 4DVarGen, a 4DVar-inspired generative framework for reconstructing sea surface variable fields at eddy-resolving scales from sparse remote-sensing observations. 4DVarGen establishes a mathematical equivalence between 4DVar and an observation-guided denoising process. Its key innovation is injecting the observation-likelihood gradient into denoising iterations, driving the generated trajectories to evolve in the direction of minimizing the 4DVar objective function toward a maximum a posteriori solution. Spatiotemporal priors learned by a diffusion model serve as background information, reducing computational costs and mitigating the adverse effects of Gaussian assumptions. Experiments show that 4DVarGen effectively leverages the temporal evolution patterns of sea surface temperature (SST) and sea surface height (SSH), as well as their dynamical mappings learned by the diffusion model, leading to improved reconstruction accuracy and effective resolution. Our model, pretrained on GLORYS12V1 reanalysis data, generates sea surface variable fields guided by real observations, achieving accuracy and effective resolution improvements of 18% and 58%, respectively, compared to GLORYS12V1. This study offers a novel framework for reconstructing Earth system states from sparse observations.