This work investigates the use of Wasserstein correlation -- a normalized measure of statistical dependence based on the Wasserstein distance between a joint distribution and the product of its marginals -- for unsupervised representation learning. Unlike, for example, contrastive methods, which naturally cluster classes in the latent space, we find that an (auto)encoder trained to maximize Wasserstein correlation between the input and encoded distributions instead acts as a compressor, reducing dimensionality while approximately preserving the topological and geometric properties of the input distribution. More strikingly, we show that Wasserstein correlation maximization can be used to arrive at an (auto)encoder -- either trained from scratch, or else one that extends a frozen, pretrained model -- that is approximately invariant to a chosen augmentation, or collection of augmentations, and that still approximately preserves the structural properties of the non-augmented input distribution. To do this, we first define the notion of an augmented encoder using the machinery of Markov-Wasserstein kernels. When the maximization objective is then applied to the augmented encoder, as opposed to the underlying, deterministic encoder, the resulting model exhibits the desired invariance properties. Finally, besides our experimental results, which show that even simple feedforward networks can be imbued with invariants or can, alternatively, be used to impart invariants to pretrained models under this training process, we additionally establish various theoretical results for optimal transport-based dependence measures. Code is available at https://github.com/keenan-eikenberry/wasserstein_correlation_maximization .
Self-Supervised Learning (SSL) has become a powerful solution to extract rich representations from unlabeled data. Yet, SSL research is mostly focused on clean, curated and high-quality datasets. As a result, applying SSL on noisy data remains a challenge, despite being crucial to applications such as astrophysics, medical imaging, geophysics or finance. In this work, we present a fully self-supervised framework that enables noise-robust representation learning without requiring a denoiser at inference or downstream fine-tuning. Our method first trains an SSL denoiser on noisy data, then uses it to construct a denoised-to-noisy data curriculum (i.e., training first on denoised, then noisy samples) for pretraining a SSL backbone (e.g., DINOv2), combined with a teacher-guided regularization that anchors noisy embeddings to their denoised counterparts. This process encourages the model to internalize noise robustness. Notably, the denoiser can be discarded after pretraining, simplifying deployment. On ImageNet-1k with ViT-B under extreme Gaussian noise ($\sigma=255$, SNR = 0.72 dB), our method improves linear probing accuracy by 4.8% over DINOv2, demonstrating that denoiser-free robustness can emerge from noise-aware pretraining. The code is available at https://github.com/wenquanlu/noisy_dinov2.
We propose a novel unsupervised framework for \emph{Invariant Risk Minimization} (IRM), extending the concept of invariance to settings where labels are unavailable. Traditional IRM methods rely on labeled data to learn representations that are robust to distributional shifts across environments. In contrast, our approach redefines invariance through feature distribution alignment, enabling robust representation learning from unlabeled data. We introduce two methods within this framework: Principal Invariant Component Analysis (PICA), a linear method that extracts invariant directions under Gaussian assumptions, and Variational Invariant Autoencoder (VIAE), a deep generative model that disentangles environment-invariant and environment-dependent latent factors. Our approach is based on a novel ``unsupervised'' structural causal model and supports environment-conditioned sample-generation and intervention. Empirical evaluations on synthetic dataset and modified versions of MNIST demonstrate the effectiveness of our methods in capturing invariant structure, preserving relevant information, and generalizing across environments without access to labels.
Classical Chinese poetry is a vital and enduring part of Chinese literature, conveying profound emotional resonance. Existing studies analyze sentiment based on textual meanings, overlooking the unique rhythmic and visual features inherent in poetry,especially since it is often recited and accompanied by Chinese paintings. In this work, we propose a dialect-enhanced multimodal framework for classical Chinese poetry sentiment analysis. We extract sentence-level audio features from the poetry and incorporate audio from multiple dialects,which may retain regional ancient Chinese phonetic features, enriching the phonetic representation. Additionally, we generate sentence-level visual features, and the multimodal features are fused with textual features enhanced by LLM translation through multimodal contrastive representation learning. Our framework outperforms state-of-the-art methods on two public datasets, achieving at least 2.51% improvement in accuracy and 1.63% in macro F1. We open-source the code to facilitate research in this area and provide insights for general multimodal Chinese representation.
Large-scale pre-trained Vision-Language Models (VLMs) have significantly advanced transfer learning across diverse tasks. However, adapting these models with limited few-shot data often leads to overfitting, undermining their ability to generalize to new tasks. To address this, we propose Multi-Modal Representation Learning (MMRL), which introduces a shared, learnable, modality-agnostic representation space. MMRL generates space tokens projected into both text and image encoders as representation tokens, enabling more effective cross-modal interactions. Unlike prior methods that mainly optimize class token features, MMRL inserts representation tokens into higher encoder layers--where task-specific features are more prominent--while preserving general knowledge in the lower layers. During training, both class and representation features are jointly optimized: a trainable projection layer is applied to representation tokens for task adaptation, while the projection layer for class token remains frozen to retain pre-trained knowledge. To further promote generalization, we introduce a regularization term aligning class and text features with the frozen VLM's zero-shot features. At inference, a decoupling strategy uses both class and representation features for base tasks, but only class features for novel tasks due to their stronger generalization. Building upon this, we propose MMRL++, a parameter-efficient and interaction-aware extension that significantly reduces trainable parameters and enhances intra-modal interactions--particularly across the layers of representation tokens--allowing gradient sharing and instance-specific information to propagate more effectively through the network. Extensive experiments on 15 datasets demonstrate that MMRL and MMRL++ consistently outperform state-of-the-art methods, achieving a strong balance between task-specific adaptation and generalization.
Endoscopic video-based tasks, such as visual navigation and surgical phase recognition, play a crucial role in minimally invasive surgeries by providing real-time assistance. While recent video foundation models have shown promise, their applications are hindered by (1) computational inefficiencies and (2) suboptimal performance caused by limited data for pre-training in endoscopy. To address these issues, we present EndoMamba, a foundation model designed for real-time inference while learning generalized spatiotemporal representations. First, to mitigate computational inefficiencies, we propose the EndoMamba backbone, optimized for real-time inference. Inspired by recent advancements in state space models, EndoMamba integrates Bidirectional Mamba blocks for spatial modeling within individual frames and vanilla Mamba blocks for past-to-present reasoning across the temporal domain. This design enables both strong spatiotemporal modeling and efficient inference in online video streams. Second, we propose a self-supervised hierarchical pre-training diagram to enhance EndoMamba's representation learning using endoscopic videos and incorporating general video domain knowledge. Specifically, our approach combines masked reconstruction with auxiliary supervision, leveraging low-level reconstruction to capture spatial-temporal structures and high-level alignment to transfer broader knowledge from a pretrained general-video domain foundation model. Extensive experiments on four downstream tasks--classification, segmentation, surgical phase recognition, and localization--demonstrate that EndoMamba outperforms existing foundation models and task-specific methods while maintaining real-time inference speed. The source code is available at https://github.com/TianCuteQY/EndoMamba.
The Information Bottleneck (IB) method frequently suffers from unstable optimization, characterized by abrupt representation shifts near critical points of the IB trade-off parameter, beta. In this paper, I introduce a novel approach to achieve stable and convex IB optimization through symbolic continuation and entropy-regularized trajectories. I analytically prove convexity and uniqueness of the IB solution path when an entropy regularization term is included, and demonstrate how this stabilizes representation learning across a wide range of \b{eta} values. Additionally, I provide extensive sensitivity analyses around critical points (beta) with statistically robust uncertainty quantification (95% confidence intervals). The open-source implementation, experimental results, and reproducibility framework included in this work offer a clear path for practical deployment and future extension of my proposed method.
Nowadays, numerous online platforms can be described as multi-modal heterogeneous networks (MMHNs), such as Douban's movie networks and Amazon's product review networks. Accurately categorizing nodes within these networks is crucial for analyzing the corresponding entities, which requires effective representation learning on nodes. However, existing multi-modal fusion methods often adopt either early fusion strategies which may lose the unique characteristics of individual modalities, or late fusion approaches overlooking the cross-modal guidance in GNN-based information propagation. In this paper, we propose a novel model for node classification in MMHNs, named Heterogeneous Graph Neural Network with Inter-Modal Attention (HGNN-IMA). It learns node representations by capturing the mutual influence of multiple modalities during the information propagation process, within the framework of heterogeneous graph transformer. Specifically, a nested inter-modal attention mechanism is integrated into the inter-node attention to achieve adaptive multi-modal fusion, and modality alignment is also taken into account to encourage the propagation among nodes with consistent similarities across all modalities. Moreover, an attention loss is augmented to mitigate the impact of missing modalities. Extensive experiments validate the superiority of the model in the node classification task, providing an innovative view to handle multi-modal data, especially when accompanied with network structures.
This paper presents $\mathbf{OLinear}$, a $\mathbf{linear}$-based multivariate time series forecasting model that operates in an $\mathbf{o}$rthogonally transformed domain. Recent forecasting models typically adopt the temporal forecast (TF) paradigm, which directly encode and decode time series in the time domain. However, the entangled step-wise dependencies in series data can hinder the performance of TF. To address this, some forecasters conduct encoding and decoding in the transformed domain using fixed, dataset-independent bases (e.g., sine and cosine signals in the Fourier transform). In contrast, we utilize $\mathbf{OrthoTrans}$, a data-adaptive transformation based on an orthogonal matrix that diagonalizes the series' temporal Pearson correlation matrix. This approach enables more effective encoding and decoding in the decorrelated feature domain and can serve as a plug-in module to enhance existing forecasters. To enhance the representation learning for multivariate time series, we introduce a customized linear layer, $\mathbf{NormLin}$, which employs a normalized weight matrix to capture multivariate dependencies. Empirically, the NormLin module shows a surprising performance advantage over multi-head self-attention, while requiring nearly half the FLOPs. Extensive experiments on 24 benchmarks and 140 forecasting tasks demonstrate that OLinear consistently achieves state-of-the-art performance with high efficiency. Notably, as a plug-in replacement for self-attention, the NormLin module consistently enhances Transformer-based forecasters. The code and datasets are available at https://anonymous.4open.science/r/OLinear
Large Language Models (LLMs) have achieved remarkable success across various domains. However, they still face significant challenges, including high computational costs for training and limitations in solving complex reasoning problems. Although existing methods have extended the reasoning capabilities of LLMs through structured paradigms, these approaches often rely on task-specific prompts and predefined reasoning processes, which constrain their flexibility and generalizability. To address these limitations, we propose a novel framework that leverages graph learning to enable more flexible and adaptive reasoning capabilities for LLMs. Specifically, this approach models the reasoning process of a problem as a graph and employs LLM-based graph learning to guide the adaptive generation of each reasoning step. To further enhance the adaptability of the model, we introduce a Graph Neural Network (GNN) module to perform representation learning on the generated reasoning process, enabling real-time adjustments to both the model and the prompt. Experimental results demonstrate that this method significantly improves reasoning performance across multiple tasks without requiring additional training or task-specific prompt design. Code can be found in https://github.com/zch65458525/L2T.
Intelligent spectrum management is crucial for improving spectrum efficiency and achieving secure utilization of spectrum resources. However, existing intelligent spectrum management methods, typically based on small-scale models, suffer from notable limitations in recognition accuracy, convergence speed, and generalization, particularly in the complex and dynamic spectrum environments. To address these challenges, this paper proposes a novel spectrum foundation model, termed SpectrumFM, establishing a new paradigm for spectrum management. SpectrumFM features an innovative encoder architecture that synergistically exploits the convolutional neural networks and the multi-head self-attention mechanisms to enhance feature extraction and enable robust representation learning. The model is pre-trained via two novel self-supervised learning tasks, namely masked reconstruction and next-slot signal prediction, which leverage large-scale in-phase and quadrature (IQ) data to achieve comprehensive and transferable spectrum representations. Furthermore, a parameter-efficient fine-tuning strategy is proposed to enable SpectrumFM to adapt to various downstream spectrum management tasks, including automatic modulation classification (AMC), wireless technology classification (WTC), spectrum sensing (SS), and anomaly detection (AD). Extensive experiments demonstrate that SpectrumFM achieves superior performance in terms of accuracy, robustness, adaptability, few-shot learning efficiency, and convergence speed, consistently outperforming conventional methods across multiple benchmarks. Specifically, SpectrumFM improves AMC accuracy by up to 12.1% and WTC accuracy by 9.3%, achieves an area under the curve (AUC) of 0.97 in SS at -4 dB signal-to-noise ratio (SNR), and enhances AD performance by over 10%.
Existing biomedical benchmarks do not provide end-to-end infrastructure for training, evaluation, and inference of models that integrate multimodal biological data and a broad range of machine learning tasks in therapeutics. We present PyTDC, an open-source machine-learning platform providing streamlined training, evaluation, and inference software for multimodal biological AI models. PyTDC unifies distributed, heterogeneous, continuously updated data sources and model weights and standardizes benchmarking and inference endpoints. This paper discusses the components of PyTDC's architecture and, to our knowledge, the first-of-its-kind case study on the introduced single-cell drug-target nomination ML task. We find state-of-the-art methods in graph representation learning and domain-specific methods from graph theory perform poorly on this task. Though we find a context-aware geometric deep learning method that outperforms the evaluated SoTA and domain-specific baseline methods, the model is unable to generalize to unseen cell types or incorporate additional modalities, highlighting PyTDC's capacity to facilitate an exciting avenue of research developing multimodal, context-aware, foundation models for open problems in biomedical AI.
Estimating long-term causal effects by combining long-term observational and short-term experimental data is a crucial but challenging problem in many real-world scenarios. In existing methods, several ideal assumptions, e.g. latent unconfoundedness assumption or additive equi-confounding bias assumption, are proposed to address the latent confounder problem raised by the observational data. However, in real-world applications, these assumptions are typically violated which limits their practical effectiveness. In this paper, we tackle the problem of estimating the long-term individual causal effects without the aforementioned assumptions. Specifically, we propose to utilize the natural heterogeneity of data, such as data from multiple sources, to identify latent confounders, thereby significantly avoiding reliance on idealized assumptions. Practically, we devise a latent representation learning-based estimator of long-term causal effects. Theoretically, we establish the identifiability of latent confounders, with which we further achieve long-term effect identification. Extensive experimental studies, conducted on multiple synthetic and semi-synthetic datasets, demonstrate the effectiveness of our proposed method.
Recent advances in representation learning often rely on holistic, black-box embeddings that entangle multiple semantic components, limiting interpretability and generalization. These issues are especially critical in medical imaging. To address these limitations, we propose an Organ-Wise Tokenization (OWT) framework with a Token Group-based Reconstruction (TGR) training paradigm. Unlike conventional approaches that produce holistic features, OWT explicitly disentangles an image into separable token groups, each corresponding to a distinct organ or semantic entity. Our design ensures each token group encapsulates organ-specific information, boosting interpretability, generalization, and efficiency while allowing fine-grained control in downstream tasks. Experiments on CT and MRI datasets demonstrate the effectiveness of OWT in not only achieving strong image reconstruction and segmentation performance, but also enabling novel semantic-level generation and retrieval applications that are out of reach for standard holistic embedding methods. These findings underscore the potential of OWT as a foundational framework for semantically disentangled representation learning, offering broad scalability and applicability to real-world medical imaging scenarios and beyond.
Tabular data, structured as rows and columns, is among the most prevalent data types in machine learning classification and regression applications. Models for learning from tabular data have continuously evolved, with Deep Neural Networks (DNNs) recently demonstrating promising results through their capability of representation learning. In this survey, we systematically introduce the field of tabular representation learning, covering the background, challenges, and benchmarks, along with the pros and cons of using DNNs. We organize existing methods into three main categories according to their generalization capabilities: specialized, transferable, and general models. Specialized models focus on tasks where training and evaluation occur within the same data distribution. We introduce a hierarchical taxonomy for specialized models based on the key aspects of tabular data -- features, samples, and objectives -- and delve into detailed strategies for obtaining high-quality feature- and sample-level representations. Transferable models are pre-trained on one or more datasets and subsequently fine-tuned on downstream tasks, leveraging knowledge acquired from homogeneous or heterogeneous sources, or even cross-modalities such as vision and language. General models, also known as tabular foundation models, extend this concept further, allowing direct application to downstream tasks without fine-tuning. We group these general models based on the strategies used to adapt across heterogeneous datasets. Additionally, we explore ensemble methods, which integrate the strengths of multiple tabular models. Finally, we discuss representative extensions of tabular learning, including open-environment tabular machine learning, multimodal learning with tabular data, and tabular understanding. More information can be found in the following repository: https://github.com/LAMDA-Tabular/Tabular-Survey.
Masked Image Modeling (MIM) with Vector Quantization (VQ) has achieved great success in both self-supervised pre-training and image generation. However, most existing methods struggle to address the trade-off in shared latent space for generation quality vs. representation learning and efficiency. To push the limits of this paradigm, we propose MergeVQ, which incorporates token merging techniques into VQ-based generative models to bridge the gap between image generation and visual representation learning in a unified architecture. During pre-training, MergeVQ decouples top-k semantics from latent space with the token merge module after self-attention blocks in the encoder for subsequent Look-up Free Quantization (LFQ) and global alignment and recovers their fine-grained details through cross-attention in the decoder for reconstruction. As for the second-stage generation, we introduce MergeAR, which performs KV Cache compression for efficient raster-order prediction. Extensive experiments on ImageNet verify that MergeVQ as an AR generative model achieves competitive performance in both visual representation learning and image generation tasks while maintaining favorable token efficiency and inference speed. The code and model will be available at https://apexgen-x.github.io/MergeVQ.
Estimating treatment effects from observational data is challenging due to two main reasons: (a) hidden confounding, and (b) covariate mismatch (control and treatment groups not having identical distributions). Long lines of works exist that address only either of these issues. To address the former, conventional techniques that require detailed knowledge in the form of causal graphs have been proposed. For the latter, covariate matching and importance weighting methods have been used. Recently, there has been progress in combining testable independencies with partial side information for tackling hidden confounding. A common framework to address both hidden confounding and selection bias is missing. We propose neural architectures that aim to learn a representation of pre-treatment covariates that is a valid adjustment and also satisfies covariate matching constraints. We combine two different neural architectures: one based on gradient matching across domains created by subsampling a suitable anchor variable that assumes causal side information, followed by the other, a covariate matching transformation. We prove that approximately invariant representations yield approximate valid adjustment sets which would enable an interval around the true causal effect. In contrast to usual sensitivity analysis, where an unknown nuisance parameter is varied, we have a testable approximation yielding a bound on the effect estimate. We also outperform various baselines with respect to ATE and PEHE errors on causal benchmarks that include IHDP, Jobs, Cattaneo, and an image-based Crowd Management dataset.
Masked video modeling, such as VideoMAE, is an effective paradigm for video self-supervised learning (SSL). However, they are primarily based on reconstructing pixel-level details on natural videos which have substantial temporal redundancy, limiting their capability for semantic representation and sufficient encoding of motion dynamics. To address these issues, this paper introduces a novel SSL approach for video representation learning, dubbed as SMILE, by infusing both spatial and motion semantics. In SMILE, we leverage image-language pretrained models, such as CLIP, to guide the learning process with their high-level spatial semantics. We enhance the representation of motion by introducing synthetic motion patterns in the training data, allowing the model to capture more complex and dynamic content. Furthermore, using SMILE, we establish a new self-supervised video learning paradigm capable of learning strong video representations without requiring any natural video data. We have carried out extensive experiments on 7 datasets with various downstream scenarios. SMILE surpasses current state-of-the-art SSL methods, showcasing its effectiveness in learning more discriminative and generalizable video representations. Code is available: https://github.com/fmthoker/SMILE
Discovering molecules with desirable molecular properties, including ADMET profiles, is of great importance in drug discovery. Existing approaches typically employ deep learning models, such as Graph Neural Networks (GNNs) and Transformers, to predict these molecular properties by learning from diverse chemical information. However, these models often fail to efficiently capture and utilize the hierarchical nature of molecular structures, and often lack mechanisms for effective interaction among multi-level features. To address these limitations, we propose a Hierarchical Interaction Message Passing Mechanism, which serves as the foundation of our novel model, the Hierarchical Interaction Message Net (HimNet). Our method enables interaction-aware representation learning across atomic, motif, and molecular levels via hierarchical attention-guided message passing. This design allows HimNet to effectively balance global and local information, ensuring rich and task-relevant feature extraction for downstream property prediction tasks, such as Blood-Brain Barrier Permeability (BBBP). We systematically evaluate HimNet on eleven datasets, including eight widely-used MoleculeNet benchmarks and three challenging, high-value datasets for metabolic stability, malaria activity, and liver microsomal clearance, covering a broad range of pharmacologically relevant properties. Extensive experiments demonstrate that HimNet achieves the best or near-best performance in most molecular property prediction tasks. Furthermore, our method exhibits promising hierarchical interpretability, aligning well with chemical intuition on representative molecules. We believe that HimNet offers an accurate and efficient solution for molecular activity and ADMET property prediction, contributing to advanced decision-making in the early stages of drug discovery.
With the rapid advancement of Multimodal Large Language Models (MLLMs), an increasing number of researchers are exploring their application in recommendation systems. However, the high latency associated with large models presents a significant challenge for such use cases. The EReL@MIR workshop provided a valuable opportunity to experiment with various approaches aimed at improving the efficiency of multimodal representation learning for information retrieval tasks. As part of the competition's requirements, participants were mandated to submit a technical report detailing their methodologies and findings. Our team was honored to receive the award for Task 2 - Winner (Multimodal CTR Prediction). In this technical report, we present our methods and key findings. Additionally, we propose several directions for future work, particularly focusing on how to effectively integrate recommendation signals into multimodal representations. The codebase for our implementation is publicly available at: https://github.com/Lattice-zjj/MMCTR_Code, and the trained model weights can be accessed at: https://huggingface.co/FireFlyCourageous/MMCTR_DIN_MicroLens_1M_x1.