Although recent years have witnessed significant advancements in medical image segmentation, the pervasive issue of domain shift among medical images from diverse centres hinders the effective deployment of pre-trained models. Many Test-time Adaptation (TTA) methods have been proposed to address this issue by fine-tuning pre-trained models with test data during inference. These methods, however, often suffer from less-satisfactory optimization due to suboptimal optimization direction (dictated by the gradient) and fixed step-size (predicated on the learning rate). In this paper, we propose the Gradient alignment-based Test-time adaptation (GraTa) method to improve both the gradient direction and learning rate in the optimization procedure. Unlike conventional TTA methods, which primarily optimize the pseudo gradient derived from a self-supervised objective, our method incorporates an auxiliary gradient with the pseudo one to facilitate gradient alignment. Such gradient alignment enables the model to excavate the similarities between different gradients and correct the gradient direction to approximate the empirical gradient related to the current segmentation task. Additionally, we design a dynamic learning rate based on the cosine similarity between the pseudo and auxiliary gradients, thereby empowering the adaptive fine-tuning of pre-trained models on diverse test data. Extensive experiments establish the effectiveness of the proposed gradient alignment and dynamic learning rate and substantiate the superiority of our GraTa method over other state-of-the-art TTA methods on a benchmark medical image segmentation task.
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Video-based human pose estimation has long been a fundamental yet challenging problem in computer vision. Previous studies focus on spatio-temporal modeling through the enhancement of architecture design and optimization strategies. However, they overlook the causal relationships in the joints, leading to models that may be overly tailored and thus estimate poorly to challenging scenes. Therefore, adequate causal reasoning capability, coupled with good interpretability of model, are both indispensable and prerequisite for achieving reliable results. In this paper, we pioneer a causal perspective on pose estimation and introduce a causal-inspired multitask learning framework, consisting of two stages. In the first stage, we try to endow the model with causal spatio-temporal modeling ability by introducing two self-supervision auxiliary tasks. Specifically, these auxiliary tasks enable the network to infer challenging keypoints based on observed keypoint information, thereby imbuing causal reasoning capabilities into the model and making it robust to challenging scenes. In the second stage, we argue that not all feature tokens contribute equally to pose estimation. Prioritizing causal (keypoint-relevant) tokens is crucial to achieve reliable results, which could improve the interpretability of the model. To this end, we propose a Token Causal Importance Selection module to identify the causal tokens and non-causal tokens (e.g., background and objects). Additionally, non-causal tokens could provide potentially beneficial cues but may be redundant. We further introduce a non-causal tokens clustering module to merge the similar non-causal tokens. Extensive experiments show that our method outperforms state-of-the-art methods on three large-scale benchmark datasets.
The rapid advancement in self-supervised representation learning has highlighted its potential to leverage unlabeled data for learning rich visual representations. However, the existing techniques, particularly those employing different augmentations of the same image, often rely on a limited set of simple transformations that cannot fully capture variations in the real world. This constrains the diversity and quality of samples, which leads to sub-optimal representations. In this paper, we introduce a framework that enriches the self-supervised learning (SSL) paradigm by utilizing generative models to produce semantically consistent image augmentations. By directly conditioning generative models on a source image, our method enables the generation of diverse augmentations while maintaining the semantics of the source image, thus offering a richer set of data for SSL. Our extensive experimental results on various joint-embedding SSL techniques demonstrate that our framework significantly enhances the quality of learned visual representations by up to 10% Top-1 accuracy in downstream tasks. This research demonstrates that incorporating generative models into the joint-embedding SSL workflow opens new avenues for exploring the potential of synthetic data. This development paves the way for more robust and versatile representation learning techniques.
Messenger RNA (mRNA)-based vaccines are accelerating the discovery of new drugs and revolutionizing the pharmaceutical industry. However, selecting particular mRNA sequences for vaccines and therapeutics from extensive mRNA libraries is costly. Effective mRNA therapeutics require carefully designed sequences with optimized expression levels and stability. This paper proposes a novel contextual language model (LM)-based embedding method: mRNA2vec. In contrast to existing mRNA embedding approaches, our method is based on the self-supervised teacher-student learning framework of data2vec. We jointly use the 5' untranslated region (UTR) and coding sequence (CDS) region as the input sequences. We adapt our LM-based approach specifically to mRNA by 1) considering the importance of location on the mRNA sequence with probabilistic masking, 2) using Minimum Free Energy (MFE) prediction and Secondary Structure (SS) classification as additional pretext tasks. mRNA2vec demonstrates significant improvements in translation efficiency (TE) and expression level (EL) prediction tasks in UTR compared to SOTA methods such as UTR-LM. It also gives a competitive performance in mRNA stability and protein production level tasks in CDS such as CodonBERT.
Large Language Models (LLMs) have demonstrated remarkable proficiency in generating code. However, the misuse of LLM-generated (synthetic) code has raised concerns in both educational and industrial contexts, underscoring the urgent need for synthetic code detectors. Existing methods for detecting synthetic content are primarily designed for general text and struggle with code due to the unique grammatical structure of programming languages and the presence of numerous ``low-entropy'' tokens. Building on this, our work proposes a novel zero-shot synthetic code detector based on the similarity between the original code and its LLM-rewritten variants. Our method is based on the observation that differences between LLM-rewritten and original code tend to be smaller when the original code is synthetic. We utilize self-supervised contrastive learning to train a code similarity model and evaluate our approach on two synthetic code detection benchmarks. Our results demonstrate a significant improvement over existing SOTA synthetic content detectors, delivering notable gains in both performance and robustness on the APPS and MBPP benchmarks.
An image encoder pre-trained by self-supervised learning can be used as a general-purpose feature extractor to build downstream classifiers for various downstream tasks. However, many studies showed that an attacker can embed a trojan into an encoder such that multiple downstream classifiers built based on the trojaned encoder simultaneously inherit the trojan behavior. In this work, we propose TrojanDec, the first data-free method to identify and recover a test input embedded with a trigger. Given a (trojaned or clean) encoder and a test input, TrojanDec first predicts whether the test input is trojaned. If not, the test input is processed in a normal way to maintain the utility. Otherwise, the test input will be further restored to remove the trigger. Our extensive evaluation shows that TrojanDec can effectively identify the trojan (if any) from a given test input and recover it under state-of-the-art trojan attacks. We further demonstrate by experiments that our TrojanDec outperforms the state-of-the-art defenses.
Traditional recommendation system focus more on the correlations between users and items (user-item relationships), while research on user-user relationships has received significant attention these years, which is also known as social recommendation. Graph-based models have achieved a great success in this task by utilizing the complex topological information of the social networks. However, these models still face the insufficient expressive and overfitting problems. Counterfactual approaches are proven effective as information augmentation strategies towards above issues in various scenarios, but not fully utilized in social recommendations. To this end, we propose a novel social recommendation method, termed SR-GCA, via a plug-and-play Graph-Level Counterfactual Augmentation mechanism. Specifically, we first generate counterfactual social and item links by constructing a counterfactual matrix for data aug- mentation. Then, we employ a supervised learning strategy to refine data both factual and counterfactual links. Thirdly, we enhance representations learning between users via an alignment and self-supervised optimization techniques. Extensive experiments demonstrate the promising capacity of our model from five aspects, including superiority, effectively, transfer- ability, complexity, sensitively. In particular, the transferability is well-proven by extending our GCA module to three typical social recommendation models.
Molecular representation learning plays a crucial role in various downstream tasks, such as molecular property prediction and drug design. To accurately represent molecules, Graph Neural Networks (GNNs) and Graph Transformers (GTs) have shown potential in the realm of self-supervised pretraining. However, existing approaches often overlook the relationship between molecular structure and electronic information, as well as the internal semantic reasoning within molecules. This omission of fundamental chemical knowledge in graph semantics leads to incomplete molecular representations, missing the integration of structural and electronic data. To address these issues, we introduce MOL-Mamba, a framework that enhances molecular representation by combining structural and electronic insights. MOL-Mamba consists of an Atom & Fragment Mamba-Graph (MG) for hierarchical structural reasoning and a Mamba-Transformer (MT) fuser for integrating molecular structure and electronic correlation learning. Additionally, we propose a Structural Distribution Collaborative Training and E-semantic Fusion Training framework to further enhance molecular representation learning. Extensive experiments demonstrate that MOL-Mamba outperforms state-of-the-art baselines across eleven chemical-biological molecular datasets.
Limitations in Employing Natural Language Supervision for Sensor-Based Human Activity Recognition - And Ways to Overcome Them
PDF ↗Cross-modal contrastive pre-training between natural language and other modalities, e.g., vision and audio, has demonstrated astonishing performance and effectiveness across a diverse variety of tasks and domains. In this paper, we investigate whether such natural language supervision can be used for wearable sensor based Human Activity Recognition (HAR), and discover that--surprisingly--it performs substantially worse than standard end-to-end training and self-supervision. We identify the primary causes for this as: sensor heterogeneity and the lack of rich, diverse text descriptions of activities. To mitigate their impact, we also develop strategies and assess their effectiveness through an extensive experimental evaluation. These strategies lead to significant increases in activity recognition, bringing performance closer to supervised and self-supervised training, while also enabling the recognition of unseen activities and cross modal retrieval of videos. Overall, our work paves the way for better sensor-language learning, ultimately leading to the development of foundational models for HAR using wearables.
3D Denoisers Are Good 2D Teachers: Molecular Pretraining via Denoising and Cross-Modal Distillation
PDF ↗Pretraining molecular representations from large unlabeled data is essential for molecular property prediction due to the high cost of obtaining ground-truth labels. While there exist various 2D graph-based molecular pretraining approaches, these methods struggle to show statistically significant gains in predictive performance. Recent work have thus instead proposed 3D conformer-based pretraining under the task of denoising, leading to promising results. During downstream finetuning, however, models trained with 3D conformers require accurate atom-coordinates of previously unseen molecules, which are computationally expensive to acquire at scale. In this paper, we propose a simple solution of denoise-and-distill (D&D), a self-supervised molecular representation learning method that pretrains a 2D graph encoder by distilling representations from a 3D denoiser. With denoising followed by cross-modal knowledge distillation, our approach enjoys use of knowledge obtained from denoising as well as painless application to downstream tasks with no access to 3D conformers. Experiments on real-world molecular property prediction datasets show that the graph encoder trained via D&D can infer 3D information based on the 2D graph and shows superior performance and label-efficiency against previous methods.
This paper introduces VisionPAD, a novel self-supervised pre-training paradigm designed for vision-centric algorithms in autonomous driving. In contrast to previous approaches that employ neural rendering with explicit depth supervision, VisionPAD utilizes more efficient 3D Gaussian Splatting to reconstruct multi-view representations using only images as supervision. Specifically, we introduce a self-supervised method for voxel velocity estimation. By warping voxels to adjacent frames and supervising the rendered outputs, the model effectively learns motion cues in the sequential data. Furthermore, we adopt a multi-frame photometric consistency approach to enhance geometric perception. It projects adjacent frames to the current frame based on rendered depths and relative poses, boosting the 3D geometric representation through pure image supervision. Extensive experiments on autonomous driving datasets demonstrate that VisionPAD significantly improves performance in 3D object detection, occupancy prediction and map segmentation, surpassing state-of-the-art pre-training strategies by a considerable margin.
S4-Driver: Scalable Self-Supervised Driving Multimodal Large Language Model with Spatio-Temporal Visual Representation
PDF ↗The latest advancements in multi-modal large language models (MLLMs) have spurred a strong renewed interest in end-to-end motion planning approaches for autonomous driving. Many end-to-end approaches rely on human annotations to learn intermediate perception and prediction tasks, while purely self-supervised approaches--which directly learn from sensor inputs to generate planning trajectories without human annotations--often underperform the state of the art. We observe a key gap in the input representation space: end-to-end approaches built on MLLMs are often pretrained with reasoning tasks in 2D image space rather than the native 3D space in which autonomous vehicles plan. To this end, we propose S4-Driver, a scalable self-supervised motion planning algorithm with spatio-temporal visual representation, based on the popular PaLI multimodal large language model. S4-Driver uses a novel sparse volume strategy to seamlessly transform the strong visual representation of MLLMs from perspective view to 3D space without the need to finetune the vision encoder. This representation aggregates multi-view and multi-frame visual inputs and enables better prediction of planning trajectories in 3D space. To validate our method, we run experiments on both nuScenes and Waymo Open Motion Dataset (with in-house camera data). Results show that S4-Driver performs favorably against existing supervised multi-task approaches while requiring no human annotations. It also demonstrates great scalability when pretrained on large volumes of unannotated driving logs.
Humans can develop internal world models that encode common sense knowledge, telling them how the world works and predicting the consequences of their actions. This concept has emerged as a promising direction for establishing general-purpose machine-learning models in recent preliminary works, e.g., for visual representation learning. In this paper, we present CheXWorld, the first effort towards a self-supervised world model for radiographic images. Specifically, our work develops a unified framework that simultaneously models three aspects of medical knowledge essential for qualified radiologists, including 1) local anatomical structures describing the fine-grained characteristics of local tissues (e.g., architectures, shapes, and textures); 2) global anatomical layouts describing the global organization of the human body (e.g., layouts of organs and skeletons); and 3) domain variations that encourage CheXWorld to model the transitions across different appearance domains of radiographs (e.g., varying clarity, contrast, and exposure caused by collecting radiographs from different hospitals, devices, or patients). Empirically, we design tailored qualitative and quantitative analyses, revealing that CheXWorld successfully captures these three dimensions of medical knowledge. Furthermore, transfer learning experiments across eight medical image classification and segmentation benchmarks showcase that CheXWorld significantly outperforms existing SSL methods and large-scale medical foundation models. Code & pre-trained models are available at https://github.com/LeapLabTHU/CheXWorld.
Positive2Negative: Breaking the Information-Lossy Barrier in Self-Supervised Single Image Denoising
PDF ↗Image denoising enhances image quality, serving as a foundational technique across various computational photography applications. The obstacle to clean image acquisition in real scenarios necessitates the development of self-supervised image denoising methods only depending on noisy images, especially a single noisy image. Existing self-supervised image denoising paradigms (Noise2Noise and Noise2Void) rely heavily on information-lossy operations, such as downsampling and masking, culminating in low-quality denoising performance.In this paper, we propose a novel self-supervised single image denoising paradigm, Positive2Negative, to break the information-lossy barrier.Our paradigm involves two key steps: Renoised Data Construction (RDC) and Denoised Consistency Supervision (DCS). RDC renoises the predicted denoised image by the predicted noise to construct multiple noisy images, preserving all the information of the original image. DCS ensures consistency across the multiple denoised images, supervising the network to learn robust denoising. Our Positive2Negative paradigm achieves state-of-the-art performance in self-supervised single image denoising with significant speed improvements. The code is released to the public at https://github.com/Li-Tong-621/P2N.
Learning self-supervised visual correspondence is a long-studied task fundamental to visual understanding and human perception. However, existing correspondence methods largely focus on small image transformations, such as object tracking in high-framerate videos or learning pixel-to-pixel mappings between images with high view overlap. This severely limits their application in dynamic multi-view settings such as robot imitation learning. In this work, we introduce Predictive Cycle Consistency for learning object correspondence between extremely disjoint views of a scene without paired segmentation data. Our technique bootstraps object correspondence pseudolabels from raw image segmentations using conditional grayscale colorization and a cycle-consistency refinement prior. We then train deep ViTs on these pseudolabels, which we use to generate higher-quality pseudolabels and iteratively train better correspondence models. We demonstrate the performance of our method under both extreme in-the-wild camera view changes and across large temporal gaps in video. Our approach beats all prior supervised and prior SoTA self-supervised correspondence models on the EgoExo4D correspondence benchmark (+6.7 IoU Exo Query) and the prior SoTA self-supervised methods SiamMAE and DINO V1&V2 on the DAVIS-2017 and LVOS datasets across large frame gaps.
AVF-MAE++: Scaling Affective Video Facial Masked Autoencoders via Efficient Audio-Visual Self-Supervised Learning
PDF ↗Affective Video Facial Analysis (AVFA) is important for advancing emotion-aware AI, yet the persistent data scarcity in AVFA presents challenges. Recently, the self-supervised learning (SSL) technique of Masked Autoencoders (MAE) has gained significant attention, particularly in its audio-visual adaptation. Insights from general domains suggest that scaling is vital for unlocking impressive improvements, though its effects on AVFA remain largely unexplored. Additionally, capturing both intra- and inter-modal correlations through scalable representations is a crucial challenge in this field. To tackle these gaps, we introduce AVF-MAE++, a series audio-visual MAE designed to explore the impact of scaling on AVFA with a focus on advanced correlation modeling. Our method incorporates a novel audio-visual dual masking strategy and an improved modality encoder with a holistic view to better support scalable pre-training. Furthermore, we propose the Iteratively Audio-Visual Correlations Learning Module to improve correlations capture within the SSL framework, bridging the limitations of prior methods. To support smooth adaptation and mitigate overfitting, we also introduce a progressive semantics injection strategy, which structures training in three stages. Extensive experiments across 17 datasets, spanning three key AVFA tasks, demonstrate the superior performance of AVF-MAE++, establishing new state-of-the-art outcomes. Ablation studies provide further insights into the critical design choices driving these gains. Code is released at https://github.com/XuecWu/AVF-MAE.
Self-supervised learning (SSL) is pervasively exploited in training high-quality upstream encoders with a large amount of unlabeled data. However, it is found to be susceptible to backdoor attacks merely via polluting a small portion of training data. The victim encoders associate triggered inputs with target embeddings, e.g., mapping a triggered cat image to an airplane embedding, such that the downstream tasks inherit unintended behaviors when the trigger is activated. Emerging backdoor attacks have shown great threats across different SSL paradigms such as contrastive learning and CLIP, yet limited research is devoted to defending against such attacks, and existing defenses fall short in detecting advanced stealthy backdoors. To address the limitations, we propose a novel detection mechanism, DeDe, which detects the activation of backdoor mappings caused by triggered inputs on victim encoders. Specifically, DeDe trains a decoder for any given SSL encoder using an auxiliary dataset (which can be out-of-distribution or even slightly poisoned), so that for any triggered input that misleads the encoder into the target embedding, the decoder generates an output image significantly different from the input. DeDe leverages the discrepancy between the input and the decoded output to identify potential backdoor misbehavior during inference. We empirically evaluate DeDe on both contrastive learning and CLIP models against various types of backdoor attacks. Our results demonstrate promising detection effectiveness over various advanced attacks and superior performance compared over state-of-the-art detection methods.
Representation learning of pathology whole-slide images (WSIs) has primarily relied on weak supervision with Multiple Instance Learning (MIL). This approach leads to slide representations highly tailored to a specific clinical task. Self-supervised learning (SSL) has been successfully applied to train histopathology foundation models (FMs) for patch embedding generation. However, generating patient or slide level embeddings remains challenging. Existing approaches for slide representation learning extend the principles of SSL from patch level learning to entire slides by aligning different augmentations of the slide or by utilizing multimodal data. By integrating tile embeddings from multiple FMs, we propose a new single modality SSL method in feature space that generates useful slide representations. Our contrastive pretraining strategy, called COBRA, employs multiple FMs and an architecture based on Mamba-2. COBRA exceeds performance of state-of-the-art slide encoders on four different public Clinical Protemic Tumor Analysis Consortium (CPTAC) cohorts on average by at least +4.4% AUC, despite only being pretrained on 3048 WSIs from The Cancer Genome Atlas (TCGA). Additionally, COBRA is readily compatible at inference time with previously unseen feature extractors. Code available at https://github.com/KatherLab/COBRA
Common3D: Self-Supervised Learning of 3D Morphable Models for Common Objects in Neural Feature Space
PDF ↗3D morphable models (3DMMs) are a powerful tool to represent the possible shapes and appearances of an object category. Given a single test image, 3DMMs can be used to solve various tasks, such as predicting the 3D shape, pose, semantic correspondence, and instance segmentation of an object. Unfortunately, 3DMMs are only available for very few object categories that are of particular interest, like faces or human bodies, as they require a demanding 3D data acquisition and category-specific training process. In contrast, we introduce a new method, Common3D, that learns 3DMMs of common objects in a fully self-supervised manner from a collection of object-centric videos. For this purpose, our model represents objects as a learned 3D template mesh and a deformation field that is parameterized as an image-conditioned neural network. Different from prior works, Common3D represents the object appearance with neural features instead of RGB colors, which enables the learning of more generalizable representations through an abstraction from pixel intensities. Importantly, we train the appearance features using a contrastive objective by exploiting the correspondences defined through the deformable template mesh. This leads to higher quality correspondence features compared to related works and a significantly improved model performance at estimating 3D object pose and semantic correspondence. Common3D is the first completely self-supervised method that can solve various vision tasks in a zero-shot manner. github.com/GenIntel/common3d.
GaussTR: Foundation Model-Aligned Gaussian Transformer for Self-Supervised 3D Spatial Understanding
PDF ↗3D Semantic Occupancy Prediction is fundamental for spatial understanding, yet existing approaches face challenges in scalability and generalization due to their reliance on extensive labeled data and computationally intensive voxel-wise representations. In this paper, we introduce GaussTR, a novel Gaussian-based Transformer framework that unifies sparse 3D modeling with foundation model alignment through Gaussian representations to advance 3D spatial understanding. GaussTR predicts sparse sets of Gaussians in a feed-forward manner to represent 3D scenes. By splatting the Gaussians into 2D views and aligning the rendered features with foundation models, GaussTR facilitates self-supervised 3D representation learning and enables open-vocabulary semantic occupancy prediction without requiring explicit annotations. Empirical experiments on the Occ3D-nuScenes dataset demonstrate GaussTR's state-of-the-art zero-shot performance of 12.27 mIoU, along with a 40% reduction in training time. These results highlight the efficacy of GaussTR for scalable and holistic 3D spatial understanding, with promising implications in autonomous driving and embodied agents. The code is available at https://github.com/hustvl/GaussTR.