The automated analysis of chemical literature holds promise to accelerate discovery in fields such as material science and drug development. In particular, search capabilities for chemical structures and Markush structures (chemical structure templates) within patent documents are valuable, e.g., for prior-art search. Advancements have been made in the automatic extraction of chemical structures from text and images, yet the Markush structures remain largely unexplored due to their complex multi-modal nature. In this work, we present MarkushGrapher, a multi-modal approach for recognizing Markush structures in documents. Our method jointly encodes text, image, and layout information through a Vision-Text-Layout encoder and an Optical Chemical Structure Recognition vision encoder. These representations are merged and used to auto-regressively generate a sequential graph representation of the Markush structure along with a table defining its variable groups. To overcome the lack of real-world training data, we propose a synthetic data generation pipeline that produces a wide range of realistic Markush structures. Additionally, we present M2S, the first annotated benchmark of real-world Markush structures, to advance research on this challenging task. Extensive experiments demonstrate that our approach outperforms state-of-the-art chemistry-specific and general-purpose vision-language models in most evaluation settings. Code, models, and datasets are available.
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Weight decay is a widely used technique in training machine learning models, known to empirically enhance the generalization of Stochastic Gradient Descent (SGD). While intuitively weight decay allows SGD to train a regularized model rather than the original one, there is limited theoretical understanding of why SGD with weight decay (SGDW) yields results consistent with the unregularized model, or how weight decay improves generalization. This paper establishes a convergence theory for SGDW in the context of the unregularized model, under weaker assumptions than previous analyses of weight decay. Our theory demonstrates that weight decay does not accelerate the convergence of SGD. For generalization, we provide the first theoretical proof of weight decay's benefit in nonconvex optimization. Additionally, we extend our results to sign-based stochastic gradient algorithms, such as SignSGD. Numerical experiments on classical benchmarks validate our theoretical findings.
Despite advances in neural rendering, due to the scarcity of high-quality 3D datasets and the inherent limitations of multi-view diffusion models, view synthesis and 3D model generation are restricted to low resolutions with suboptimal multi-view consistency. In this study, we present a novel 3D enhancement pipeline, dubbed 3DEnhancer, which employs a multi-view latent diffusion model to enhance coarse 3D inputs while preserving multi-view consistency. Our method includes a pose-aware encoder and a diffusion-based denoiser to refine low-quality multi-view images, along with data augmentation and a multi-view attention module with epipolar aggregation to maintain consistent, high-quality 3D outputs across views. Unlike existing video-based approaches, our model supports seamless multi-view enhancement with improved coherence across diverse viewing angles. Extensive evaluations show that 3DEnhancer significantly outperforms existing methods, boosting both multi-view enhancement and per-instance 3D optimization tasks.
Proximal Algorithm Unrolling: Flexible and Efficient Reconstruction Networks for Single-Pixel Imaging
PDF ↗Deep-unrolling and plug-and-play (PnP) approaches have become the de-facto standard solvers for single-pixel imaging (SPI) inverse problem. PnP approaches, a class of iterative algorithms where regularization is implicitly performed by an off-the-shelf deep denoiser, are flexible for varying compression ratios (CRs) but are limited in reconstruction accuracy and speed. Conversely, unrolling approaches, a class of multi-stage neural networks where a truncated iterative optimization process is transformed into an end-to-end trainable network, typically achieve better accuracy with faster inference but require fine-tuning or even retraining when CR changes. In this paper, we address the challenge of integrating the strengths of both classes of solvers. To this end, we design an efficient deep image restorer (DIR) for the unrolling of HQS (half quadratic splitting) and ADMM (alternating direction method of multipliers). More importantly, a general proximal trajectory (PT) loss function is proposed to train HQS/ADMM-unrolling networks such that learned DIR approximates the proximal operator of an ideal explicit restoration regularizer. Extensive experiments demonstrate that, the resulting proximal unrolling networks can not only flexibly handle varying CRs with a single model like PnP algorithms, but also outperform previous CR-specific unrolling networks in both reconstruction accuracy and speed. Source codes and models are available at https://github.com/pwangcs/ProxUnroll.
In robotic manipulation, task goals can be conveyed through various modalities, such as language, goal images, and goal videos. However, natural language can be ambiguous, while images or videos may offer overly detailed specifications. To address these challenges, we propose a novel approach using comprehensive multi-modal prompts that explicitly convey both low-level actions and high-level planning in a simple manner. Specifically, for each key-frame in the task sequence, our method allows for manual or automatic generation of simple and expressive 2D visual prompts overlaid on RGB images. These prompts represent the required task goals, such as the end-effector pose and the desired movement direction after contact. We develop a training strategy that enables the model to interpret these visual-language prompts and predict the corresponding contact poses and movement directions in SE(3) space. Furthermore, by sequentially executing all key-frame steps, the model can complete long-horizon tasks. This approach not only helps the model explicitly understand the task objectives but also enhances its robustness on unseen tasks by providing easily interpretable prompts. We evaluate our method in both simulated and real-world environments, demonstrating its robust manipulation capabilities.
We present Matrix3D, a unified model that performs several photogrammetry subtasks, including pose estimation, depth prediction, and novel view synthesis using just the same model. Matrix3D utilizes a multi-modal diffusion transformer (DiT) to integrate transformations across several modalities, such as images, camera parameters, and depth maps. The key to Matrix3D's large-scale multi-modal training lies in the incorporation of a mask learning strategy. This enables full-modality model training even with partially complete data, such as bi-modality data of image-pose and image-depth pairs, thus significantly increases the pool of available training data. Matrix3D demonstrates state-of-the-art performance in pose estimation and novel view synthesis tasks. Additionally, it offers fine-grained control through multi-round interactions, making it an innovative tool for 3D content creation. Project page: https://nju-3dv.github.io/projects/matrix3d.
SIDA: Social Media Image Deepfake Detection, Localization and Explanation with Large Multimodal Model
PDF ↗The rapid advancement of generative models in creating highly realistic images poses substantial risks for misinformation dissemination. For instance, a synthetic image, when shared on social media, can mislead extensive audiences and erode trust in digital content, resulting in severe repercussions. Despite some progress, academia has not yet created a large and diversified deepfake detection dataset for social media, nor has it devised an effective solution to address this issue. In this paper, we introduce the Social media Image Detection dataSet (SID-Set), which offers three key advantages: (1) extensive volume, featuring 300K AI-generated/tampered and authentic images with comprehensive annotations, (2) broad diversity, encompassing fully synthetic and tampered images across various classes, and (3) elevated realism, with images that are predominantly indistinguishable from genuine ones through mere visual inspection. Furthermore, leveraging the exceptional capabilities of large multimodal models, we propose a new image deepfake detection, localization, and explanation framework, named SIDA (Social media Image Detection, localization, and explanation Assistant). SIDA not only discerns the authenticity of images, but also delineates tampered regions through mask prediction and provides textual explanations of the model's judgment criteria. Compared with state-of-the-art deepfake detection models on SID-Set and other benchmarks, extensive experiments demonstrate that SIDA achieves superior performance among diversified settings. The code, model, and dataset will be released.
Most Neural Video Codecs (NVCs) only employ temporal references to generate temporal-only contexts and latent prior. These temporal-only NVCs fail to handle large motions or emerging objects due to limited contexts and misaligned latent prior. To relieve the limitations, we propose a Spatially Embedded Video Codec (SEVC), in which the low-resolution video is compressed for spatial references. Firstly, our SEVC leverages both spatial and temporal references to generate augmented motion vectors and hybrid spatial-temporal contexts. Secondly, to address the misalignment issue in latent prior and enrich the prior information, we introduce a spatial-guided latent prior augmented by multiple temporal latent representations. At last, we design a joint spatial-temporal optimization to learn quality-adaptive bit allocation for spatial references, further boosting rate-distortion performance. Experimental results show that our SEVC effectively alleviates the limitations in handling large motions or emerging objects, and also reduces 11.9% more bitrate than the previous state-of-the-art NVC while providing an additional low-resolution bitstream. Our code and model are available at https://github.com/EsakaK/SEVC.
Model Inversion Attacks (MIAs) aim to reconstruct private training data from models, leading to privacy leakage, particularly in facial recognition systems. Although many studies have enhanced the effectiveness of white-box MIAs, less attention has been paid to improving efficiency and utility under limited attacker capabilities. Existing black-box MIAs necessitate an impractical number of queries, incurring significant overhead. Therefore, we analyze the limitations of existing MIAs and introduce Surrogate Model-based Inversion with Long-tailed Enhancement (SMILE), a high-resolution oriented and query-efficient MIA for the black-box setting. We begin by analyzing the initialization of MIAs from a data distribution perspective and propose a long-tailed surrogate training method to obtain high-quality initial points. We then enhance the attack's effectiveness by employing the gradient-free black-box optimization algorithm selected by NGOpt. Our experiments show that SMILE outperforms existing state-of-the-art black-box MIAs while requiring only about 5% of the query overhead.
In this work, we are interested in achieving both high text controllability and whole-body appearance consistency in the generation of personalized human characters. We propose a novel framework, named SerialGen, which is a serial generation method consisting of two stages: first, a standardization stage that standardizes reference images, and then a personalized generation stage based on the standardized reference. Furthermore, we introduce two modules aimed at enhancing the standardization process. Our experimental results validate the proposed framework's ability to produce personalized images that faithfully recover the reference image's whole-body appearance while accurately responding to a wide range of text prompts. Through thorough analysis, we highlight the critical contribution of the proposed serial generation method and standardization model, evidencing enhancements in appearance consistency between reference and output images and across serial outputs generated from diverse text prompts. The term "Serial" in this work carries a double meaning: it refers to the two-stage method and also underlines our ability to generate serial images with consistent appearance throughout.
Volume Tells: Dual Cycle-Consistent Diffusion for 3D Fluorescence Microscopy De-noising and Super-Resolution
PDF ↗3D fluorescence microscopy is essential for understanding fundamental life processes through long-term live-cell imaging. However, due to inherent issues in imaging principles, it faces significant challenges including spatially varying noise and anisotropic resolution, where the axial resolution lags behind the lateral resolution up to 4.5 times. Meanwhile, laser power is kept low to maintain cell viability, leading to inaccessible low-noise and high-resolution paired ground truth (GT). To tackle these limitations, a dual Cycle-consistent Diffusion is proposed to effectively mine intra-volume imaging priors within 3D cell volumes in an unsupervised manner, i.e., Volume Tells (VTCD), achieving de-noising and super-resolution (SR) simultaneously. Specifically, a spatially iso-distributed denoiser is designed to exploit the noise distribution consistency between adjacent low-noise and high-noise regions within the 3D cell volume, suppressing the spatially varying noise. Then, in light of the structural consistency of the cell volume, a cross-plane global-propagation SR module propagates high-resolution details from the XY plane into adjacent regions in the XZ and YZ planes, progressively enhancing resolution across the entire 3D cell volume. Experimental results on 10 in vivo cellular dataset demonstrate high improvements in both denoising and super-resolution, with axial resolution enhanced from 430nm to 90nm
Audio-visual sound source localization task aims to spatially localize sound-making objects within visual scenes by integrating visual and audio cues. However, existing methods struggle with accurately localizing sound-making objects in complex scenes, particularly when visually similar silent objects coexist. This limitation arises primarily from their reliance on simple audio-visual correspondence, which does not capture fine-grained semantic differences between sound-making and silent objects. To address these challenges, we propose a novel sound source localization framework leveraging Multimodal Large Language Models (MLLMs) to generate detailed contextual information that explicitly distinguishes between sound-making foreground objects and silent background objects. To effectively integrate this detailed information, we introduce two novel loss functions: Object-aware Contrastive Alignment (OCA) loss and Object Region Isolation (ORI) loss. Extensive experimental results on MUSIC and VGGSound datasets demonstrate the effectiveness of our approach, significantly outperforming existing methods in both single-source and multi-source localization scenarios. Code and generated detailed contextual information are available at: https://github.com/VisualAIKHU/OA-SSL.
Text-based 3D human motion editing is a critical yet challenging task in computer vision and graphics. While training-free approaches have been explored, the recent release of the MotionFix dataset, which includes source-text-motion triplets, has opened new avenues for training, yielding promising results. However, existing methods struggle with precise control, often leading to misalignment between motion semantics and language instructions. In this paper, we introduce a related task --- motion similarity prediction --- and propose a multi-task training paradigm, where we train the model jointly on motion editing and motion similarity prediction to foster the learning of semantically meaningful representations. To complement this task, we design an advanced Diffusion-Transformer-based architecture that separately handles motion similarity prediction and motion editing. Extensive experiments demonstrate the state-of-the-art performance of our approach in both editing alignment and fidelity.
We present Magma, a foundation model that serves multimodal AI agentic tasks in both the digital and physical worlds. Magma is a significant extension of vision-language (VL) models in that it not only retains the VL understanding ability (verbal intelligence) of the latter, but is also equipped with the ability to ground and act in the visual-spatial world (spatial-temporal intelligence). To endow agentic capabilities for tasks ranging from UI navigation to robot manipulation, Magma is trained on large amounts of heterogeneous datasets that span from images, videos to robotics data, where actionable visual objects (e.g. clickable buttons in GUI) in images are labeled by Set-of-Mark (SoM) for action grounding, and object movements (e.g. trace of human hands or robotic arms) in videos are labeled by Trace-of-Mark (ToM) for action planning. Extensive experiments show that SoM and ToM help bridge the gap between verbal and action abilities and significantly enhance spatio-temporal intelligence which is fundamental to agentic tasks, as shown in Fig.1. In particular, Magma creates new state-of-the-art results on UI navigation and robotic manipulation tasks, outperforming previous models that are specifically tailored to these tasks. Moreover, Magma preserves strong multimodal understanding ability and compares favorably to popular large multimodal models that are trained on much larger datasets. We have made our model and code public for reproducibility at https://microsoft.github.io/Magma.
The choice of representation for geographic location significantly impacts the accuracy of models for a broad range of geospatial tasks, including fine-grained species classification, population density estimation, and biome classification. Recent works like SatCLIP and GeoCLIP learn such representations by contrastively aligning geolocation with co-located images. While these methods work exceptionally well, in this paper, we posit that the current training strategies fail to fully capture the important visual features. We provide an information theoretic perspective on why the resulting embeddings from these methods discard crucial visual information that is important for many downstream tasks. To solve this problem, we propose a novel retrieval-augmented strategy called RANGE. We build our method on the intuition that the visual features of a location can be estimated by combining the visual features from multiple similar-looking locations. We evaluate our method across a wide variety of tasks. Our results show that RANGE outperforms the existing state-of-the-art models with significant margins in most tasks. We show gains of up to 13.1% on classification tasks and 0.145 R^2 on regression tasks. All our code and models will be made available on github.
Video anomaly detection (VAD) is crucial in scenarios such as surveillance and autonomous driving, where timely detection of unexpected activities is essential. Albeit existing methods have primarily focused on detecting anomalous objects in videos--either by identifying anomalous frames or objects--they often neglect finer-grained analysis, such as anomalous pixels, which limits their ability to capture a broader range of anomalies. To address this challenge, we propose an innovative VAD framework called \underline T rack Any \underline A nomalous \underline O bject (\textit TAO ), which introduces a Granular Video Anomaly Detection Framework that, for the first time, integrates the detection of multiple fine-grained anomalous objects into a unified framework. Unlike methods that assign anomaly scores to every pixel at each moment, our approach transforms the problem into pixel-level tracking of anomalous objects. By linking anomaly scores to subsequent tasks such as image segmentation and video tracking, our method eliminates the need for threshold selection and achieves more precise anomaly localization, even in long and challenging video sequences. Experiments on extensive datasets demonstrate that \textit TAO achieves state-of-the-art performance, setting a new progress for VAD by providing a practical, granular, and holistic solution.
Diffusion models are prone to exactly reproduce images from the training data. This exact reproduction of the training data is concerning as it can lead to copyright infringement and/or leakage of privacy-sensitive information. In this paper, we present a novel perspective on the memorization phenomenon and propose a simple yet effective approach to mitigate it. We argue that memorization occurs because of an attraction basin in the denoising process which steers the diffusion trajectory towards a memorized image. However, this can be mitigated by guiding the diffusion trajectory away from the attraction basin by not applying classifier-free guidance until an ideal transition point occurs from which classifier-free guidance is applied. This leads to the generation of non-memorized images that are high in image quality and well-aligned with the conditioning mechanism. To further improve on this, we present a new guidance technique, opposite guidance, that escapes the attraction basin sooner in the denoising process. We demonstrate the existence of attraction basins in various scenarios in which memorization occurs, and we show that our proposed approach successfully mitigates memorization.
Recent advancements in visual generation technologies have markedly increased the scale and availability of video datasets, which are crucial for training effective video generation models. However, a significant lack of high-quality, human-centric video datasets presents a challenge to progress in this field. To bridge this gap, we introduce OpenHumanVid, a large-scale and high-quality human-centric video dataset characterized by precise and detailed captions that encompass both human appearance and motion states, along with supplementary human motion conditions, including skeleton sequences and speech audio. To validate the efficacy of this dataset and the associated training strategies, we propose an extension of existing classical diffusion transformer architectures and conduct further pretraining of our models on the proposed dataset. Our findings yield two critical insights: First, the incorporation of a large-scale, high-quality dataset substantially enhances evaluation metrics for generated human videos while preserving performance in general video generation tasks. Second, the effective alignment of text with human appearance, human motion, and facial motion is essential for producing high-quality video outputs. Based on these insights and corresponding methodologies, the straightforward extended network trained on the proposed dataset demonstrates an obvious improvement in the generation of human-centric videos.
In the domain of audio-visual event perception, which focuses on the temporal localization and classification of events across distinct modalities (audio and visual), existing approaches are constrained by the vocabulary available in their training data. This limitation significantly impedes their capacity to generalize to novel, unseen event categories. Furthermore, the annotation process for this task is labor-intensive, requiring extensive manual labeling across modalities and temporal segments, limiting the scalability of current methods. Current state-of-the-art models ignore the shifts in event distributions over time, reducing their ability to adjust to changing video dynamics. Additionally, previous methods rely on late fusion to combine audio and visual information. While straightforward, this approach results in a significant loss of multimodal interactions. To address these challenges, we propose Audio-Visual Adaptive Video Analysis (AV2A), a model-agnostic approach that requires no further training and integrates a score-level fusion technique to retain richer multimodal interactions. AV2A also includes a within-video label shift algorithm, leveraging input video data and predictions from prior frames to dynamically adjust event distributions for subsequent frames. Moreover, we present the first training-free, open-vocabulary baseline for audio-visual event perception, demonstrating that AV2A achieves substantial improvements over naive training-free baselines. We demonstrate the effectiveness of AV2A on both zero-shot and weakly-supervised state-of-the-art methods, achieving notable improvements in performance metrics over existing approaches.
ParaHome: Parameterizing Everyday Home Activities Towards 3D Generative Modeling of Human-Object Interactions
PDF ↗To enable machines to understand the way humans interact with the physical world in daily life, 3D interaction signals should be captured in natural settings, allowing people to engage with multiple objects in a range of sequential and casual manipulations. To achieve this goal, we introduce our ParaHome system designed to capture dynamic 3D movements of humans and objects within a common home environment. Our system features a multi-view setup with 70 synchronized RGB cameras, along with wearable motion capture devices including an IMU-based body suit and hand motion capture gloves. By leveraging the ParaHome system, we collect a new human-object interaction dataset, including 486 minutes of sequences across 207 captures with 38 participants, offering advancements with three key aspects: (1) capturing body motion and dexterous hand manipulation motion alongside multiple objects within a contextual home environment; (2) encompassing sequential and concurrent manipulations paired with text descriptions; and (3) including articulated objects with multiple parts represented by 3D parameterized models. We present detailed design justifications for our system, and perform key generative modeling experiments to demonstrate the potential of our dataset.