Daily Papers

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation learning. However, relying on straightforward alignment strategies that treat each modality separately, these methods fail to exploit the intrinsic correlation between 2D and 3D representations that reflect the underlying structural characteristics of molecules, and only perform coarse-grained molecule-level alignment. To derive fine-grained alignment and promote structural molecule understanding, we introduce an atomic-relation level "blend-then-predict" self-supervised learning approach, MoleBLEND, which first blends atom relations represented by different modalities into one unified relation matrix for joint encoding, then recovers modality-specific information for 2D and 3D structures individually. By treating atom relationships as anchors, MoleBLEND organically aligns and integrates visually dissimilar 2D and 3D modalities of the same molecule at fine-grained atomic level, painting a more comprehensive depiction of each molecule. Extensive experiments show that MoleBLEND achieves state-of-the-art performance across major 2D/3D molecular benchmarks. We further provide theoretical insights from the perspective of mutual-information maximization, demonstrating that our method unifies contrastive, generative (cross-modality prediction) and mask-then-predict (single-modality prediction) objectives into one single cohesive framework.

Visual recognition in low-data regimes requires deep neural networks to learn generalized representations from limited training samples. Recently, CLIP-based methods have shown promising few-shot performance benefited from the contrastive language-image pre-training. We then question, if the more diverse pre-training knowledge can be cascaded to further assist few-shot representation learning. In this paper, we propose CaFo, a Cascade of Foundation models that incorporates diverse prior knowledge of various pre-training paradigms for better few-shot learning. Our CaFo incorporates CLIP's language-contrastive knowledge, DINO's vision-contrastive knowledge, DALL-E's vision-generative knowledge, and GPT-3's language-generative knowledge. Specifically, CaFo works by 'Prompt, Generate, then Cache'. Firstly, we leverage GPT-3 to produce textual inputs for prompting CLIP with rich downstream linguistic semantics. Then, we generate synthetic images via DALL-E to expand the few-shot training data without any manpower. At last, we introduce a learnable cache model to adaptively blend the predictions from CLIP and DINO. By such collaboration, CaFo can fully unleash the potential of different pre-training methods and unify them to perform state-of-the-art for few-shot classification. Code is available at https://github.com/ZrrSkywalker/CaFo.

Training a single deep blind model to handle different quality factors for JPEG image artifacts removal has been attracting considerable attention due to its convenience for practical usage. However, existing deep blind methods usually directly reconstruct the image without predicting the quality factor, thus lacking the flexibility to control the output as the non-blind methods. To remedy this problem, in this paper, we propose a flexible blind convolutional neural network, namely FBCNN, that can predict the adjustable quality factor to control the trade-off between artifacts removal and details preservation. Specifically, FBCNN decouples the quality factor from the JPEG image via a decoupler module and then embeds the predicted quality factor into the subsequent reconstructor module through a quality factor attention block for flexible control. Besides, we find existing methods are prone to fail on non-aligned double JPEG images even with only a one-pixel shift, and we thus propose a double JPEG degradation model to augment the training data. Extensive experiments on single JPEG images, more general double JPEG images, and real-world JPEG images demonstrate that our proposed FBCNN achieves favorable performance against state-of-the-art methods in terms of both quantitative metrics and visual quality.

Deep neural networks tend to memorize noisy labels, severely degrading their generalization performance. Although Mixup has demonstrated effectiveness in improving generalization and robustness, existing Mixup-based methods typically perform indiscriminate mixing without principled guidance on sample selection and mixing strategy, inadvertently propagating noisy supervision. To overcome these limitations, we propose SelectMix, a confidence-guided mixing framework explicitly tailored for noisy labels. SelectMix first identifies potentially noisy or ambiguous samples through confidence based mismatch analysis using K-fold cross-validation, then selectively blends identified uncertain samples with confidently predicted peers from their potential classes. Furthermore, SelectMix employs soft labels derived from all classes involved in the mixing process, ensuring the labels accurately represent the composition of the mixed samples, thus aligning supervision signals closely with the actual mixed inputs. Through extensive theoretical analysis and empirical evaluations on multiple synthetic (MNIST, Fashion-MNIST, CIFAR-10, CIFAR-100) and real-world benchmark datasets (CIFAR-N, MNIST and Clothing1M), we demonstrate that SelectMix consistently outperforms strong baseline methods, validating its effectiveness and robustness in learning with noisy labels.

Blind inpainting is a task to automatically complete visual contents without specifying masks for missing areas in an image. Previous works assume missing region patterns are known, limiting its application scope. In this paper, we relax the assumption by defining a new blind inpainting setting, making training a blind inpainting neural system robust against various unknown missing region patterns. Specifically, we propose a two-stage visual consistency network (VCN), meant to estimate where to fill (via masks) and generate what to fill. In this procedure, the unavoidable potential mask prediction errors lead to severe artifacts in the subsequent repairing. To address it, our VCN predicts semantically inconsistent regions first, making mask prediction more tractable. Then it repairs these estimated missing regions using a new spatial normalization, enabling VCN to be robust to the mask prediction errors. In this way, semantically convincing and visually compelling content is thus generated. Extensive experiments are conducted, showing our method is effective and robust in blind image inpainting. And our VCN allows for a wide spectrum of applications.

Blind face restoration usually synthesizes degraded low-quality data with a pre-defined degradation model for training, while more complex cases could happen in the real world. This gap between the assumed and actual degradation hurts the restoration performance where artifacts are often observed in the output. However, it is expensive and infeasible to include every type of degradation to cover real-world cases in the training data. To tackle this robustness issue, we propose Diffusion-based Robust Degradation Remover (DR2) to first transform the degraded image to a coarse but degradation-invariant prediction, then employ an enhancement module to restore the coarse prediction to a high-quality image. By leveraging a well-performing denoising diffusion probabilistic model, our DR2 diffuses input images to a noisy status where various types of degradation give way to Gaussian noise, and then captures semantic information through iterative denoising steps. As a result, DR2 is robust against common degradation (e.g. blur, resize, noise and compression) and compatible with different designs of enhancement modules. Experiments in various settings show that our framework outperforms state-of-the-art methods on heavily degraded synthetic and real-world datasets.

This study addresses the issue observed in Large Vision Language Models (LVLMs), where excessive attention on a few image tokens, referred to as blind tokens, leads to hallucinatory responses in tasks requiring fine-grained understanding of visual objects. We found that tokens receiving lower attention weights often hold essential information for identifying nuanced object details -- ranging from merely recognizing object existence to identifying their attributes (color, position, etc.) and understanding their relationships. To counteract the over-emphasis on blind tokens and to accurately respond to user queries, we introduce a technique called Attentional Vision Calibration (AVC). During the decoding phase, AVC identifies blind tokens by analyzing the image-related attention distribution. It then dynamically adjusts the logits for the next token prediction by contrasting the logits conditioned on the original visual tokens with those conditioned on the blind tokens. This effectively lowers the dependency on blind tokens and promotes a more balanced consideration of all tokens. We validate AVC on benchmarks such as POPE, MME, and AMBER, where it consistently outperforms existing decoding techniques in mitigating object hallucinations in LVLMs.

Text-to-image models are showcasing the impressive ability to create high-quality and diverse generative images. Nevertheless, the transition from freehand sketches to complex scene images remains challenging using diffusion models. In this study, we propose a novel sketch-guided scene image generation framework, decomposing the task of scene image scene generation from sketch inputs into object-level cross-domain generation and scene-level image construction. We employ pre-trained diffusion models to convert each single object drawing into an image of the object, inferring additional details while maintaining the sparse sketch structure. In order to maintain the conceptual fidelity of the foreground during scene generation, we invert the visual features of object images into identity embeddings for scene generation. In scene-level image construction, we generate the latent representation of the scene image using the separated background prompts, and then blend the generated foreground objects according to the layout of the sketch input. To ensure the foreground objects' details remain unchanged while naturally composing the scene image, we infer the scene image on the blended latent representation using a global prompt that includes the trained identity tokens. Through qualitative and quantitative experiments, we demonstrate the ability of the proposed approach to generate scene images from hand-drawn sketches surpasses the state-of-the-art approaches.