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Jan 7

Representation Learning in Continuous-Time Dynamic Signed Networks

Signed networks allow us to model conflicting relationships and interactions, such as friend/enemy and support/oppose. These signed interactions happen in real-time. Modeling such dynamics of signed networks is crucial to understanding the evolution of polarization in the network and enabling effective prediction of the signed structure (i.e., link signs and signed weights) in the future. However, existing works have modeled either (static) signed networks or dynamic (unsigned) networks but not dynamic signed networks. Since both sign and dynamics inform the graph structure in different ways, it is non-trivial to model how to combine the two features. In this work, we propose a new Graph Neural Network (GNN)-based approach to model dynamic signed networks, named SEMBA: Signed link's Evolution using Memory modules and Balanced Aggregation. Here, the idea is to incorporate the signs of temporal interactions using separate modules guided by balance theory and to evolve the embeddings from a higher-order neighborhood. Experiments on 4 real-world datasets and 4 different tasks demonstrate that SEMBA consistently and significantly outperforms the baselines by up to 80% on the tasks of predicting signs of future links while matching the state-of-the-art performance on predicting the existence of these links in the future. We find that this improvement is due specifically to the superior performance of SEMBA on the minority negative class.

  • 5 authors
·
Jul 7, 2022

Whole Heart 3D+T Representation Learning Through Sparse 2D Cardiac MR Images

Cardiac Magnetic Resonance (CMR) imaging serves as the gold-standard for evaluating cardiac morphology and function. Typically, a multi-view CMR stack, covering short-axis (SA) and 2/3/4-chamber long-axis (LA) views, is acquired for a thorough cardiac assessment. However, efficiently streamlining the complex, high-dimensional 3D+T CMR data and distilling compact, coherent representation remains a challenge. In this work, we introduce a whole-heart self-supervised learning framework that utilizes masked imaging modeling to automatically uncover the correlations between spatial and temporal patches throughout the cardiac stacks. This process facilitates the generation of meaningful and well-clustered heart representations without relying on the traditionally required, and often costly, labeled data. The learned heart representation can be directly used for various downstream tasks. Furthermore, our method demonstrates remarkable robustness, ensuring consistent representations even when certain CMR planes are missing/flawed. We train our model on 14,000 unlabeled CMR data from UK BioBank and evaluate it on 1,000 annotated data. The proposed method demonstrates superior performance to baselines in tasks that demand comprehensive 3D+T cardiac information, e.g. cardiac phenotype (ejection fraction and ventricle volume) prediction and multi-plane/multi-frame CMR segmentation, highlighting its effectiveness in extracting comprehensive cardiac features that are both anatomically and pathologically relevant.

  • 6 authors
·
Jun 1, 2024

ERASE: Error-Resilient Representation Learning on Graphs for Label Noise Tolerance

Deep learning has achieved remarkable success in graph-related tasks, yet this accomplishment heavily relies on large-scale high-quality annotated datasets. However, acquiring such datasets can be cost-prohibitive, leading to the practical use of labels obtained from economically efficient sources such as web searches and user tags. Unfortunately, these labels often come with noise, compromising the generalization performance of deep networks. To tackle this challenge and enhance the robustness of deep learning models against label noise in graph-based tasks, we propose a method called ERASE (Error-Resilient representation learning on graphs for lAbel noiSe tolerancE). The core idea of ERASE is to learn representations with error tolerance by maximizing coding rate reduction. Particularly, we introduce a decoupled label propagation method for learning representations. Before training, noisy labels are pre-corrected through structural denoising. During training, ERASE combines prototype pseudo-labels with propagated denoised labels and updates representations with error resilience, which significantly improves the generalization performance in node classification. The proposed method allows us to more effectively withstand errors caused by mislabeled nodes, thereby strengthening the robustness of deep networks in handling noisy graph data. Extensive experimental results show that our method can outperform multiple baselines with clear margins in broad noise levels and enjoy great scalability. Codes are released at https://github.com/eraseai/erase.

  • 8 authors
·
Dec 13, 2023

Bidirectional Hierarchical Protein Multi-Modal Representation Learning

Protein representation learning is critical for numerous biological tasks. Recently, large transformer-based protein language models (pLMs) pretrained on large scale protein sequences have demonstrated significant success in sequence-based tasks. However, pLMs lack structural context. Conversely, graph neural networks (GNNs) designed to leverage 3D structural information have shown promising generalization in protein-related prediction tasks, but their effectiveness is often constrained by the scarcity of labeled structural data. Recognizing that sequence and structural representations are complementary perspectives of the same protein entity, we propose a multimodal bidirectional hierarchical fusion framework to effectively merge these modalities. Our framework employs attention and gating mechanisms to enable effective interaction between pLMs-generated sequential representations and GNN-extracted structural features, improving information exchange and enhancement across layers of the neural network. This bidirectional and hierarchical (Bi-Hierarchical) fusion approach leverages the strengths of both modalities to capture richer and more comprehensive protein representations. Based on the framework, we further introduce local Bi-Hierarchical Fusion with gating and global Bi-Hierarchical Fusion with multihead self-attention approaches. Our method demonstrates consistent improvements over strong baselines and existing fusion techniques in a variety of protein representation learning benchmarks, including enzyme EC classification, model quality assessment, protein-ligand binding affinity prediction, protein-protein binding site prediction, and B cell epitopes prediction. Our method establishes a new state-of-the-art for multimodal protein representation learning, emphasizing the efficacy of Bi-Hierarchical Fusion in bridging sequence and structural modalities.

  • 5 authors
·
Apr 7, 2025

Neighborhood-aware Scalable Temporal Network Representation Learning

Temporal networks have been widely used to model real-world complex systems such as financial systems and e-commerce systems. In a temporal network, the joint neighborhood of a set of nodes often provides crucial structural information useful for predicting whether they may interact at a certain time. However, recent representation learning methods for temporal networks often fail to extract such information or depend on online construction of structural features, which is time-consuming. To address the issue, this work proposes Neighborhood-Aware Temporal network model (NAT). For each node in the network, NAT abandons the commonly-used one-single-vector-based representation while adopting a novel dictionary-type neighborhood representation. Such a dictionary representation records a downsampled set of the neighboring nodes as keys, and allows fast construction of structural features for a joint neighborhood of multiple nodes. We also design a dedicated data structure termed N-cache to support parallel access and update of those dictionary representations on GPUs. NAT gets evaluated over seven real-world large-scale temporal networks. NAT not only outperforms all cutting-edge baselines by averaged 1.2% and 4.2% in transductive and inductive link prediction accuracy, respectively, but also keeps scalable by achieving a speed-up of 4.1-76.7x against the baselines that adopt joint structural features and achieves a speed-up of 1.6-4.0x against the baselines that cannot adopt those features. The link to the code: https: //github.com/Graph-COM/Neighborhood-Aware-Temporal-Network.

  • 2 authors
·
Sep 2, 2022

Unsupervised Representation Learning for 3D Mesh Parameterization with Semantic and Visibility Objectives

Recent 3D generative models produce high-quality textures for 3D mesh objects. However, they commonly rely on the heavy assumption that input 3D meshes are accompanied by manual mesh parameterization (UV mapping), a manual task that requires both technical precision and artistic judgment. Industry surveys show that this process often accounts for a significant share of asset creation, creating a major bottleneck for 3D content creators. Moreover, existing automatic methods often ignore two perceptually important criteria: (1) semantic awareness (UV charts should align semantically similar 3D parts across shapes) and (2) visibility awareness (cutting seams should lie in regions unlikely to be seen). To overcome these shortcomings and to automate the mesh parameterization process, we present an unsupervised differentiable framework that augments standard geometry-preserving UV learning with semantic- and visibility-aware objectives. For semantic-awareness, our pipeline (i) segments the mesh into semantic 3D parts, (ii) applies an unsupervised learned per-part UV-parameterization backbone, and (iii) aggregates per-part charts into a unified UV atlas. For visibility-awareness, we use ambient occlusion (AO) as an exposure proxy and back-propagate a soft differentiable AO-weighted seam objective to steer cutting seams toward occluded regions. By conducting qualitative and quantitative evaluations against state-of-the-art methods, we show that the proposed method produces UV atlases that better support texture generation and reduce perceptible seam artifacts compared to recent baselines. Our implementation code is publicly available at: https://github.com/AHHHZ975/Semantic-Visibility-UV-Param.

  • 3 authors
·
Sep 29, 2025

ACT-JEPA: Joint-Embedding Predictive Architecture Improves Policy Representation Learning

Learning efficient representations for decision-making policies is a challenge in imitation learning (IL). Current IL methods require expert demonstrations, which are expensive to collect. Consequently, they often have underdeveloped world models. Self-supervised learning (SSL) offers an alternative by allowing models to learn from diverse, unlabeled data, including failures. However, SSL methods often operate in raw input space, making them inefficient. In this work, we propose ACT-JEPA, a novel architecture that integrates IL and SSL to enhance policy representations. We train a policy to predict (1) action sequences and (2) abstract observation sequences. The first objective uses action chunking to improve action prediction and reduce compounding errors. The second objective extends this idea of chunking by predicting abstract observation sequences. We utilize Joint-Embedding Predictive Architecture to predict in abstract representation space, allowing the model to filter out irrelevant details, improve efficiency, and develop a robust world model. Our experiments show that ACT-JEPA improves the quality of representations by learning temporal environment dynamics. Additionally, the model's ability to predict abstract observation sequences results in representations that effectively generalize to action sequence prediction. ACT-JEPA performs on par with established baselines across a range of decision-making tasks.

  • 2 authors
·
Jan 24, 2025

OpenMixup: Open Mixup Toolbox and Benchmark for Visual Representation Learning

Mixup augmentation has emerged as a widely used technique for improving the generalization ability of deep neural networks (DNNs). However, the lack of standardized implementations and benchmarks has impeded recent progress, resulting in poor reproducibility, unfair comparisons, and conflicting insights. In this paper, we introduce OpenMixup, the first mixup augmentation codebase, and benchmark for visual representation learning. Specifically, we train 18 representative mixup baselines from scratch and rigorously evaluate them across 11 image datasets of varying scales and granularity, ranging from fine-grained scenarios to complex non-iconic scenes. We also open-source our modular codebase, including a collection of popular vision backbones, optimization strategies, and analysis toolkits, which not only supports the benchmarking but enables broader mixup applications beyond classification, such as self-supervised learning and regression tasks. Through experiments and empirical analysis, we gain observations and insights on mixup performance-efficiency trade-offs, generalization, and optimization behaviors, and thereby identify preferred choices for different needs. To the best of our knowledge, OpenMixup has facilitated several recent studies. We believe this work can further advance reproducible mixup augmentation research and thereby lay a solid ground for future progress in the community. The source code and user documents are available at https://github.com/Westlake-AI/openmixup.

  • 8 authors
·
Sep 11, 2022

VEDIT: Latent Prediction Architecture For Procedural Video Representation Learning

Procedural video representation learning is an active research area where the objective is to learn an agent which can anticipate and forecast the future given the present video input, typically in conjunction with textual annotations. Prior works often rely on large-scale pretraining of visual encoders and prediction models with language supervision. However, the necessity and effectiveness of extending compute intensive pretraining to learn video clip sequences with noisy text supervision have not yet been fully validated by previous works. In this work, we show that a strong off-the-shelf frozen pretrained visual encoder, along with a well designed prediction model, can achieve state-of-the-art (SoTA) performance in forecasting and procedural planning without the need for pretraining the prediction model, nor requiring additional supervision from language or ASR. Instead of learning representations from pixel space, our method utilizes the latent embedding space of publicly available vision encoders. By conditioning on frozen clip-level embeddings from observed steps to predict the actions of unseen steps, our prediction model is able to learn robust representations for forecasting through iterative denoising - leveraging the recent advances in diffusion transformers (Peebles & Xie, 2023). Empirical studies over a total of five procedural learning tasks across four datasets (NIV, CrossTask, COIN and Ego4D-v2) show that our model advances the strong baselines in long-horizon action anticipation (+2.6% in Verb ED@20, +3.1% in Noun ED@20), and significantly improves the SoTA in step forecasting (+5.0%), task classification (+3.8%), and procedure planning tasks (up to +2.28% in success rate, +3.39% in mAcc, and +0.90% in mIoU).

  • 7 authors
·
Oct 4, 2024

NeRF-MAE: Masked AutoEncoders for Self-Supervised 3D Representation Learning for Neural Radiance Fields

Neural fields excel in computer vision and robotics due to their ability to understand the 3D visual world such as inferring semantics, geometry, and dynamics. Given the capabilities of neural fields in densely representing a 3D scene from 2D images, we ask the question: Can we scale their self-supervised pretraining, specifically using masked autoencoders, to generate effective 3D representations from posed RGB images. Owing to the astounding success of extending transformers to novel data modalities, we employ standard 3D Vision Transformers to suit the unique formulation of NeRFs. We leverage NeRF's volumetric grid as a dense input to the transformer, contrasting it with other 3D representations such as pointclouds where the information density can be uneven, and the representation is irregular. Due to the difficulty of applying masked autoencoders to an implicit representation, such as NeRF, we opt for extracting an explicit representation that canonicalizes scenes across domains by employing the camera trajectory for sampling. Our goal is made possible by masking random patches from NeRF's radiance and density grid and employing a standard 3D Swin Transformer to reconstruct the masked patches. In doing so, the model can learn the semantic and spatial structure of complete scenes. We pretrain this representation at scale on our proposed curated posed-RGB data, totaling over 1.8 million images. Once pretrained, the encoder is used for effective 3D transfer learning. Our novel self-supervised pretraining for NeRFs, NeRF-MAE, scales remarkably well and improves performance on various challenging 3D tasks. Utilizing unlabeled posed 2D data for pretraining, NeRF-MAE significantly outperforms self-supervised 3D pretraining and NeRF scene understanding baselines on Front3D and ScanNet datasets with an absolute performance improvement of over 20% AP50 and 8% AP25 for 3D object detection.

  • 6 authors
·
Apr 1, 2024 2

Rethinking the Power of Graph Canonization in Graph Representation Learning with Stability

The expressivity of Graph Neural Networks (GNNs) has been studied broadly in recent years to reveal the design principles for more powerful GNNs. Graph canonization is known as a typical approach to distinguish non-isomorphic graphs, yet rarely adopted when developing expressive GNNs. This paper proposes to maximize the expressivity of GNNs by graph canonization, then the power of such GNNs is studies from the perspective of model stability. A stable GNN will map similar graphs to close graph representations in the vectorial space, and the stability of GNNs is critical to generalize their performance to unseen graphs. We theoretically reveal the trade-off of expressivity and stability in graph-canonization-enhanced GNNs. Then we introduce a notion of universal graph canonization as the general solution to address the trade-off and characterize a widely applicable sufficient condition to solve the universal graph canonization. A comprehensive set of experiments demonstrates the effectiveness of the proposed method. In many popular graph benchmark datasets, graph canonization successfully enhances GNNs and provides highly competitive performance, indicating the capability and great potential of proposed method in general graph representation learning. In graph datasets where the sufficient condition holds, GNNs enhanced by universal graph canonization consistently outperform GNN baselines and successfully improve the SOTA performance up to 31%, providing the optimal solution to numerous challenging real-world graph analytical tasks like gene network representation learning in bioinformatics.

  • 8 authors
·
Sep 1, 2023

Learning More with Less: A Generalizable, Self-Supervised Framework for Privacy-Preserving Capacity Estimation with EV Charging Data

Accurate battery capacity estimation is key to alleviating consumer concerns about battery performance and reliability of electric vehicles (EVs). However, practical data limitations imposed by stringent privacy regulations and labeled data shortages hamper the development of generalizable capacity estimation models that remain robust to real-world data distribution shifts. While self-supervised learning can leverage unlabeled data, existing techniques are not particularly designed to learn effectively from challenging field data -- let alone from privacy-friendly data, which are often less feature-rich and noisier. In this work, we propose a first-of-its-kind capacity estimation model based on self-supervised pre-training, developed on a large-scale dataset of privacy-friendly charging data snippets from real-world EV operations. Our pre-training framework, snippet similarity-weighted masked input reconstruction, is designed to learn rich, generalizable representations even from less feature-rich and fragmented privacy-friendly data. Our key innovation lies in harnessing contrastive learning to first capture high-level similarities among fragmented snippets that otherwise lack meaningful context. With our snippet-wise contrastive learning and subsequent similarity-weighted masked reconstruction, we are able to learn rich representations of both granular charging patterns within individual snippets and high-level associative relationships across different snippets. Bolstered by this rich representation learning, our model consistently outperforms state-of-the-art baselines, achieving 31.9% lower test error than the best-performing benchmark, even under challenging domain-shifted settings affected by both manufacturer and age-induced distribution shifts. Source code is available at https://github.com/en-research/GenEVBattery.

  • 6 authors
·
Oct 5, 2025

Progressive Fourier Neural Representation for Sequential Video Compilation

Neural Implicit Representation (NIR) has recently gained significant attention due to its remarkable ability to encode complex and high-dimensional data into representation space and easily reconstruct it through a trainable mapping function. However, NIR methods assume a one-to-one mapping between the target data and representation models regardless of data relevancy or similarity. This results in poor generalization over multiple complex data and limits their efficiency and scalability. Motivated by continual learning, this work investigates how to accumulate and transfer neural implicit representations for multiple complex video data over sequential encoding sessions. To overcome the limitation of NIR, we propose a novel method, Progressive Fourier Neural Representation (PFNR), that aims to find an adaptive and compact sub-module in Fourier space to encode videos in each training session. This sparsified neural encoding allows the neural network to hold free weights, enabling an improved adaptation for future videos. In addition, when learning a representation for a new video, PFNR transfers the representation of previous videos with frozen weights. This design allows the model to continuously accumulate high-quality neural representations for multiple videos while ensuring lossless decoding that perfectly preserves the learned representations for previous videos. We validate our PFNR method on the UVG8/17 and DAVIS50 video sequence benchmarks and achieve impressive performance gains over strong continual learning baselines. The PFNR code is available at https://github.com/ihaeyong/PFNR.git.

  • 5 authors
·
Jun 20, 2023

Contrast Everything: A Hierarchical Contrastive Framework for Medical Time-Series

Contrastive representation learning is crucial in medical time series analysis as it alleviates dependency on labor-intensive, domain-specific, and scarce expert annotations. However, existing contrastive learning methods primarily focus on one single data level, which fails to fully exploit the intricate nature of medical time series. To address this issue, we present COMET, an innovative hierarchical framework that leverages data consistencies at all inherent levels in medical time series. Our meticulously designed model systematically captures data consistency from four potential levels: observation, sample, trial, and patient levels. By developing contrastive loss at multiple levels, we can learn effective representations that preserve comprehensive data consistency, maximizing information utilization in a self-supervised manner. We conduct experiments in the challenging patient-independent setting. We compare COMET against six baselines using three diverse datasets, which include ECG signals for myocardial infarction and EEG signals for Alzheimer's and Parkinson's diseases. The results demonstrate that COMET consistently outperforms all baselines, particularly in setup with 10% and 1% labeled data fractions across all datasets. These results underscore the significant impact of our framework in advancing contrastive representation learning techniques for medical time series. The source code is available at https://github.com/DL4mHealth/COMET.

  • 4 authors
·
Oct 21, 2023

SuperInpaint: Learning Detail-Enhanced Attentional Implicit Representation for Super-resolutional Image Inpainting

In this work, we introduce a challenging image restoration task, referred to as SuperInpaint, which aims to reconstruct missing regions in low-resolution images and generate completed images with arbitrarily higher resolutions. We have found that this task cannot be effectively addressed by stacking state-of-the-art super-resolution and image inpainting methods as they amplify each other's flaws, leading to noticeable artifacts. To overcome these limitations, we propose the detail-enhanced attentional implicit representation (DEAR) that can achieve SuperInpaint with a single model, resulting in high-quality completed images with arbitrary resolutions. Specifically, we use a deep convolutional network to extract the latent embedding of an input image and then enhance the high-frequency components of the latent embedding via an adaptive high-pass filter. This leads to detail-enhanced semantic embedding. We further feed the semantic embedding into an unmask-attentional module that suppresses embeddings from ineffective masked pixels. Additionally, we extract a pixel-wise importance map that indicates which pixels should be used for image reconstruction. Given the coordinates of a pixel we want to reconstruct, we first collect its neighboring pixels in the input image and extract their detail-enhanced semantic embeddings, unmask-attentional semantic embeddings, importance values, and spatial distances to the desired pixel. Then, we feed all the above terms into an implicit representation and generate the color of the specified pixel. To evaluate our method, we extend three existing datasets for this new task and build 18 meaningful baselines using SOTA inpainting and super-resolution methods. Extensive experimental results demonstrate that our method outperforms all existing methods by a significant margin on four widely used metrics.

  • 7 authors
·
Jul 26, 2023

Motion Tracks: A Unified Representation for Human-Robot Transfer in Few-Shot Imitation Learning

Teaching robots to autonomously complete everyday tasks remains a challenge. Imitation Learning (IL) is a powerful approach that imbues robots with skills via demonstrations, but is limited by the labor-intensive process of collecting teleoperated robot data. Human videos offer a scalable alternative, but it remains difficult to directly train IL policies from them due to the lack of robot action labels. To address this, we propose to represent actions as short-horizon 2D trajectories on an image. These actions, or motion tracks, capture the predicted direction of motion for either human hands or robot end-effectors. We instantiate an IL policy called Motion Track Policy (MT-pi) which receives image observations and outputs motion tracks as actions. By leveraging this unified, cross-embodiment action space, MT-pi completes tasks with high success given just minutes of human video and limited additional robot demonstrations. At test time, we predict motion tracks from two camera views, recovering 6DoF trajectories via multi-view synthesis. MT-pi achieves an average success rate of 86.5% across 4 real-world tasks, outperforming state-of-the-art IL baselines which do not leverage human data or our action space by 40%, and generalizes to scenarios seen only in human videos. Code and videos are available on our website https://portal-cornell.github.io/motion_track_policy/.

  • 5 authors
·
Jan 12, 2025

Quantum Visual Fields with Neural Amplitude Encoding

Quantum Implicit Neural Representations (QINRs) include components for learning and execution on gate-based quantum computers. While QINRs recently emerged as a promising new paradigm, many challenges concerning their architecture and ansatz design, the utility of quantum-mechanical properties, training efficiency and the interplay with classical modules remain. This paper advances the field by introducing a new type of QINR for 2D image and 3D geometric field learning, which we collectively refer to as Quantum Visual Field (QVF). QVF encodes classical data into quantum statevectors using neural amplitude encoding grounded in a learnable energy manifold, ensuring meaningful Hilbert space embeddings. Our ansatz follows a fully entangled design of learnable parametrised quantum circuits, with quantum (unitary) operations performed in the real Hilbert space, resulting in numerically stable training with fast convergence. QVF does not rely on classical post-processing -- in contrast to the previous QINR learning approach -- and directly employs projective measurement to extract learned signals encoded in the ansatz. Experiments on a quantum hardware simulator demonstrate that QVF outperforms the existing quantum approach and widely used classical foundational baselines in terms of visual representation accuracy across various metrics and model characteristics, such as learning of high-frequency details. We also show applications of QVF in 2D and 3D field completion and 3D shape interpolation, highlighting its practical potential.

  • 3 authors
·
Aug 14, 2025

Show me your NFT and I tell you how it will perform: Multimodal representation learning for NFT selling price prediction

Non-Fungible Tokens (NFTs) represent deeds of ownership, based on blockchain technologies and smart contracts, of unique crypto assets on digital art forms (e.g., artworks or collectibles). In the spotlight after skyrocketing in 2021, NFTs have attracted the attention of crypto enthusiasts and investors intent on placing promising investments in this profitable market. However, the NFT financial performance prediction has not been widely explored to date. In this work, we address the above problem based on the hypothesis that NFT images and their textual descriptions are essential proxies to predict the NFT selling prices. To this purpose, we propose MERLIN, a novel multimodal deep learning framework designed to train Transformer-based language and visual models, along with graph neural network models, on collections of NFTs' images and texts. A key aspect in MERLIN is its independence on financial features, as it exploits only the primary data a user interested in NFT trading would like to deal with, i.e., NFT images and textual descriptions. By learning dense representations of such data, a price-category classification task is performed by MERLIN models, which can also be tuned according to user preferences in the inference phase to mimic different risk-return investment profiles. Experimental evaluation on a publicly available dataset has shown that MERLIN models achieve significant performances according to several financial assessment criteria, fostering profitable investments, and also beating baseline machine-learning classifiers based on financial features.

  • 3 authors
·
Feb 3, 2023

Representation learning for improved interpretability and classification accuracy of clinical factors from EEG

Despite extensive standardization, diagnostic interviews for mental health disorders encompass substantial subjective judgment. Previous studies have demonstrated that EEG-based neural measures can function as reliable objective correlates of depression, or even predictors of depression and its course. However, their clinical utility has not been fully realized because of 1) the lack of automated ways to deal with the inherent noise associated with EEG data at scale, and 2) the lack of knowledge of which aspects of the EEG signal may be markers of a clinical disorder. Here we adapt an unsupervised pipeline from the recent deep representation learning literature to address these problems by 1) learning a disentangled representation using beta-VAE to denoise the signal, and 2) extracting interpretable features associated with a sparse set of clinical labels using a Symbol-Concept Association Network (SCAN). We demonstrate that our method is able to outperform the canonical hand-engineered baseline classification method on a number of factors, including participant age and depression diagnosis. Furthermore, our method recovers a representation that can be used to automatically extract denoised Event Related Potentials (ERPs) from novel, single EEG trajectories, and supports fast supervised re-mapping to various clinical labels, allowing clinicians to re-use a single EEG representation regardless of updates to the standardized diagnostic system. Finally, single factors of the learned disentangled representations often correspond to meaningful markers of clinical factors, as automatically detected by SCAN, allowing for human interpretability and post-hoc expert analysis of the recommendations made by the model.

  • 9 authors
·
Oct 28, 2020

A Simple Baseline that Questions the Use of Pretrained-Models in Continual Learning

With the success of pretraining techniques in representation learning, a number of continual learning methods based on pretrained models have been proposed. Some of these methods design continual learning mechanisms on the pre-trained representations and only allow minimum updates or even no updates of the backbone models during the training of continual learning. In this paper, we question whether the complexity of these models is needed to achieve good performance by comparing them to a simple baseline that we designed. We argue that the pretrained feature extractor itself can be strong enough to achieve a competitive or even better continual learning performance on Split-CIFAR100 and CoRe 50 benchmarks. To validate this, we conduct a very simple baseline that 1) use the frozen pretrained model to extract image features for every class encountered during the continual learning stage and compute their corresponding mean features on training data, and 2) predict the class of the input based on the nearest neighbor distance between test samples and mean features of the classes; i.e., Nearest Mean Classifier (NMC). This baseline is single-headed, exemplar-free, and can be task-free (by updating the means continually). This baseline achieved 88.53% on 10-Split-CIFAR-100, surpassing most state-of-the-art continual learning methods that are all initialized using the same pretrained transformer model. We hope our baseline may encourage future progress in designing learning systems that can continually add quality to the learning representations even if they started from some pretrained weights.

  • 4 authors
·
Oct 10, 2022

Zero-Shot Code Representation Learning via Prompt Tuning

Learning code representations has been the core prerequisite of many software engineering tasks such as code clone detection and code generation. State-of-the-art program representation techniques mainly utilize pre-trained language models (PLMs) such as CodeBERT. A Transformer encoder is firstly pre-trained on a large-scale code corpus to acquire general knowledge about source code. The pre-trained model is then fine-tuned on specific tasks using an amount of labeled data. However, gathering training samples for the downstream tasks can be prohibitively expensive and impractical for domain-specific languages or project-specific tasks. Besides, pre-training and downstream tasks are usually heterogeneous, which makes it difficult to fully explore the knowledge learned during pre-training. In this paper, we propose Zecoler, a zero-shot approach for learning code representations. Zecoler is built upon a pre-trained programming language model. In order to elicit knowledge from the PLMs efficiently, Zecoler casts the downstream tasks to the same form of pre-training objectives by inserting train-able prompts into the original input. These prompts can guide PLMs on how to generate better results. Subsequently, we employ the prompt tuning technique to search for the optimal prompts for PLMs automatically. This enables the representation model to efficiently fit the downstream tasks through fine-tuning on the dataset in source language domain and then reuse the pre-trained knowledge for the target domain in a zero-shot style. We evaluate Zecoler in five code intelligence tasks including code clone detection, code search, method name prediction, code summarization, and code generation. The results show that our approach significantly outperforms baseline models under the zero-shot setting.

  • 3 authors
·
Apr 13, 2024

RDesign: Hierarchical Data-efficient Representation Learning for Tertiary Structure-based RNA Design

While artificial intelligence has made remarkable strides in revealing the relationship between biological macromolecules' primary sequence and tertiary structure, designing RNA sequences based on specified tertiary structures remains challenging. Though existing approaches in protein design have thoroughly explored structure-to-sequence dependencies in proteins, RNA design still confronts difficulties due to structural complexity and data scarcity. Moreover, direct transplantation of protein design methodologies into RNA design fails to achieve satisfactory outcomes although sharing similar structural components. In this study, we aim to systematically construct a data-driven RNA design pipeline. We crafted a large, well-curated benchmark dataset and designed a comprehensive structural modeling approach to represent the complex RNA tertiary structure. More importantly, we proposed a hierarchical data-efficient representation learning framework that learns structural representations through contrastive learning at both cluster-level and sample-level to fully leverage the limited data. By constraining data representations within a limited hyperspherical space, the intrinsic relationships between data points could be explicitly imposed. Moreover, we incorporated extracted secondary structures with base pairs as prior knowledge to facilitate the RNA design process. Extensive experiments demonstrate the effectiveness of our proposed method, providing a reliable baseline for future RNA design tasks. The source code and benchmark dataset are available at https://github.com/A4Bio/RDesign.

  • 7 authors
·
Jan 25, 2023

Multimodal Multitask Representation Learning for Pathology Biobank Metadata Prediction

Metadata are general characteristics of the data in a well-curated and condensed format, and have been proven to be useful for decision making, knowledge discovery, and also heterogeneous data organization of biobank. Among all data types in the biobank, pathology is the key component of the biobank and also serves as the gold standard of diagnosis. To maximize the utility of biobank and allow the rapid progress of biomedical science, it is essential to organize the data with well-populated pathology metadata. However, manual annotation of such information is tedious and time-consuming. In the study, we develop a multimodal multitask learning framework to predict four major slide-level metadata of pathology images. The framework learns generalizable representations across tissue slides, pathology reports, and case-level structured data. We demonstrate improved performance across all four tasks with the proposed method compared to a single modal single task baseline on two test sets, one external test set from a distinct data source (TCGA) and one internal held-out test set (TTH). In the test sets, the performance improvements on the averaged area under receiver operating characteristic curve across the four tasks are 16.48% and 9.05% on TCGA and TTH, respectively. Such pathology metadata prediction system may be adopted to mitigate the effort of expert annotation and ultimately accelerate the data-driven research by better utilization of the pathology biobank.

  • 5 authors
·
Sep 17, 2019

Particle Trajectory Representation Learning with Masked Point Modeling

Effective self-supervised learning (SSL) techniques have been key to unlocking large datasets for representation learning. While many promising methods have been developed using online corpora and captioned photographs, their application to scientific domains, where data encodes highly specialized knowledge, remains a challenge. Liquid Argon Time Projection Chambers (LArTPCs) provide high-resolution 3D imaging for fundamental physics, but analysis of their sparse, complex point cloud data often relies on supervised methods trained on large simulations, introducing potential biases. We introduce the Point-based Liquid Argon Masked Autoencoder (PoLAr-MAE), applying masked point modeling to unlabeled LArTPC images using domain-specific volumetric tokenization and energy prediction. We show this SSL approach learns physically meaningful trajectory representations directly from data. This yields remarkable data efficiency: fine-tuning on just 100 labeled events achieves track/shower semantic segmentation performance comparable to the state-of-the-art supervised baseline trained on >100,000 events. Furthermore, internal attention maps exhibit emergent instance segmentation of particle trajectories. While challenges remain, particularly for fine-grained features, we make concrete SSL's potential for building a foundation model for LArTPC image analysis capable of serving as a common base for all data reconstruction tasks. To facilitate further progress, we release PILArNet-M, a large dataset of 1M LArTPC events. Project site: https://youngsm.com/polarmae.

  • 3 authors
·
Feb 4, 2025

Random Field Augmentations for Self-Supervised Representation Learning

Self-supervised representation learning is heavily dependent on data augmentations to specify the invariances encoded in representations. Previous work has shown that applying diverse data augmentations is crucial to downstream performance, but augmentation techniques remain under-explored. In this work, we propose a new family of local transformations based on Gaussian random fields to generate image augmentations for self-supervised representation learning. These transformations generalize the well-established affine and color transformations (translation, rotation, color jitter, etc.) and greatly increase the space of augmentations by allowing transformation parameter values to vary from pixel to pixel. The parameters are treated as continuous functions of spatial coordinates, and modeled as independent Gaussian random fields. Empirical results show the effectiveness of the new transformations for self-supervised representation learning. Specifically, we achieve a 1.7% top-1 accuracy improvement over baseline on ImageNet downstream classification, and a 3.6% improvement on out-of-distribution iNaturalist downstream classification. However, due to the flexibility of the new transformations, learned representations are sensitive to hyperparameters. While mild transformations improve representations, we observe that strong transformations can degrade the structure of an image, indicating that balancing the diversity and strength of augmentations is important for improving generalization of learned representations.

  • 4 authors
·
Nov 6, 2023

Quantum Architecture Search with Unsupervised Representation Learning

Unsupervised representation learning presents new opportunities for advancing Quantum Architecture Search (QAS) on Noisy Intermediate-Scale Quantum (NISQ) devices. QAS is designed to optimize quantum circuits for Variational Quantum Algorithms (VQAs). Most QAS algorithms tightly couple the search space and search algorithm, typically requiring the evaluation of numerous quantum circuits, resulting in high computational costs and limiting scalability to larger quantum circuits. Predictor-based QAS algorithms mitigate this issue by estimating circuit performance based on structure or embedding. However, these methods often demand time-intensive labeling to optimize gate parameters across many circuits, which is crucial for training accurate predictors. Inspired by the classical neural architecture search algorithm Arch2vec, we investigate the potential of unsupervised representation learning for QAS without relying on predictors. Our framework decouples unsupervised architecture representation learning from the search process, enabling the learned representations to be applied across various downstream tasks. Additionally, it integrates an improved quantum circuit graph encoding scheme, addressing the limitations of existing representations and enhancing search efficiency. This predictor-free approach removes the need for large labeled datasets. During the search, we employ REINFORCE and Bayesian Optimization to explore the latent representation space and compare their performance against baseline methods. Our results demonstrate that the framework efficiently identifies high-performing quantum circuits with fewer search iterations.

  • 4 authors
·
Jan 21, 2024

Harnessing Explanations: LLM-to-LM Interpreter for Enhanced Text-Attributed Graph Representation Learning

Representation learning on text-attributed graphs (TAGs) has become a critical research problem in recent years. A typical example of a TAG is a paper citation graph, where the text of each paper serves as node attributes. Initial graph neural network (GNN) pipelines handled these text attributes by transforming them into shallow or hand-crafted features, such as skip-gram or bag-of-words features. Recent efforts have focused on enhancing these pipelines with language models (LMs), which typically demand intricate designs and substantial computational resources. With the advent of powerful large language models (LLMs) such as GPT or Llama2, which demonstrate an ability to reason and to utilize general knowledge, there is a growing need for techniques which combine the textual modelling abilities of LLMs with the structural learning capabilities of GNNs. Hence, in this work, we focus on leveraging LLMs to capture textual information as features, which can be used to boost GNN performance on downstream tasks. A key innovation is our use of explanations as features: we prompt an LLM to perform zero-shot classification, request textual explanations for its decision-making process, and design an LLM-to-LM interpreter to translate these explanations into informative features for downstream GNNs. Our experiments demonstrate that our method achieves state-of-the-art results on well-established TAG datasets, including Cora, PubMed, ogbn-arxiv, as well as our newly introduced dataset, tape-arxiv23. Furthermore, our method significantly speeds up training, achieving a 2.88 times improvement over the closest baseline on ogbn-arxiv. Lastly, we believe the versatility of the proposed method extends beyond TAGs and holds the potential to enhance other tasks involving graph-text data. Our codes and datasets are available at: https://github.com/XiaoxinHe/TAPE.

  • 6 authors
·
May 30, 2023

Train Once, Deploy Anywhere: Matryoshka Representation Learning for Multimodal Recommendation

Despite recent advancements in language and vision modeling, integrating rich multimodal knowledge into recommender systems continues to pose significant challenges. This is primarily due to the need for efficient recommendation, which requires adaptive and interactive responses. In this study, we focus on sequential recommendation and introduce a lightweight framework called full-scale Matryoshka representation learning for multimodal recommendation (fMRLRec). Our fMRLRec captures item features at different granularities, learning informative representations for efficient recommendation across multiple dimensions. To integrate item features from diverse modalities, fMRLRec employs a simple mapping to project multimodal item features into an aligned feature space. Additionally, we design an efficient linear transformation that embeds smaller features into larger ones, substantially reducing memory requirements for large-scale training on recommendation data. Combined with improved state space modeling techniques, fMRLRec scales to different dimensions and only requires one-time training to produce multiple models tailored to various granularities. We demonstrate the effectiveness and efficiency of fMRLRec on multiple benchmark datasets, which consistently achieves superior performance over state-of-the-art baseline methods. We make our code and data publicly available at https://github.com/yueqirex/fMRLRec.

  • 5 authors
·
Sep 25, 2024

Manipulate by Seeing: Creating Manipulation Controllers from Pre-Trained Representations

The field of visual representation learning has seen explosive growth in the past years, but its benefits in robotics have been surprisingly limited so far. Prior work uses generic visual representations as a basis to learn (task-specific) robot action policies (e.g., via behavior cloning). While the visual representations do accelerate learning, they are primarily used to encode visual observations. Thus, action information has to be derived purely from robot data, which is expensive to collect! In this work, we present a scalable alternative where the visual representations can help directly infer robot actions. We observe that vision encoders express relationships between image observations as distances (e.g., via embedding dot product) that could be used to efficiently plan robot behavior. We operationalize this insight and develop a simple algorithm for acquiring a distance function and dynamics predictor, by fine-tuning a pre-trained representation on human collected video sequences. The final method is able to substantially outperform traditional robot learning baselines (e.g., 70% success v.s. 50% for behavior cloning on pick-place) on a suite of diverse real-world manipulation tasks. It can also generalize to novel objects, without using any robot demonstrations during train time. For visualizations of the learned policies please check: https://agi-labs.github.io/manipulate-by-seeing/.

  • 5 authors
·
Mar 14, 2023

DOM-LM: Learning Generalizable Representations for HTML Documents

HTML documents are an important medium for disseminating information on the Web for human consumption. An HTML document presents information in multiple text formats including unstructured text, structured key-value pairs, and tables. Effective representation of these documents is essential for machine understanding to enable a wide range of applications, such as Question Answering, Web Search, and Personalization. Existing work has either represented these documents using visual features extracted by rendering them in a browser, which is typically computationally expensive, or has simply treated them as plain text documents, thereby failing to capture useful information presented in their HTML structure. We argue that the text and HTML structure together convey important semantics of the content and therefore warrant a special treatment for their representation learning. In this paper, we introduce a novel representation learning approach for web pages, dubbed DOM-LM, which addresses the limitations of existing approaches by encoding both text and DOM tree structure with a transformer-based encoder and learning generalizable representations for HTML documents via self-supervised pre-training. We evaluate DOM-LM on a variety of webpage understanding tasks, including Attribute Extraction, Open Information Extraction, and Question Answering. Our extensive experiments show that DOM-LM consistently outperforms all baselines designed for these tasks. In particular, DOM-LM demonstrates better generalization performance both in few-shot and zero-shot settings, making it attractive for making it suitable for real-world application settings with limited labeled data.

  • 5 authors
·
Jan 25, 2022

Learning Discrete Representations via Constrained Clustering for Effective and Efficient Dense Retrieval

Dense Retrieval (DR) has achieved state-of-the-art first-stage ranking effectiveness. However, the efficiency of most existing DR models is limited by the large memory cost of storing dense vectors and the time-consuming nearest neighbor search (NNS) in vector space. Therefore, we present RepCONC, a novel retrieval model that learns discrete Representations via CONstrained Clustering. RepCONC jointly trains dual-encoders and the Product Quantization (PQ) method to learn discrete document representations and enables fast approximate NNS with compact indexes. It models quantization as a constrained clustering process, which requires the document embeddings to be uniformly clustered around the quantization centroids and supports end-to-end optimization of the quantization method and dual-encoders. We theoretically demonstrate the importance of the uniform clustering constraint in RepCONC and derive an efficient approximate solution for constrained clustering by reducing it to an instance of the optimal transport problem. Besides constrained clustering, RepCONC further adopts a vector-based inverted file system (IVF) to support highly efficient vector search on CPUs. Extensive experiments on two popular ad-hoc retrieval benchmarks show that RepCONC achieves better ranking effectiveness than competitive vector quantization baselines under different compression ratio settings. It also substantially outperforms a wide range of existing retrieval models in terms of retrieval effectiveness, memory efficiency, and time efficiency.

  • 6 authors
·
Oct 12, 2021

Learning Item Representations Directly from Multimodal Features for Effective Recommendation

Conventional multimodal recommender systems predominantly leverage Bayesian Personalized Ranking (BPR) optimization to learn item representations by amalgamating item identity (ID) embeddings with multimodal features. Nevertheless, our empirical and theoretical findings unequivocally demonstrate a pronounced optimization gradient bias in favor of acquiring representations from multimodal features over item ID embeddings. As a consequence, item ID embeddings frequently exhibit suboptimal characteristics despite the convergence of multimodal feature parameters. Given the rich informational content inherent in multimodal features, in this paper, we propose a novel model (i.e., LIRDRec) that learns item representations directly from these features to augment recommendation performance. Recognizing that features derived from each modality may capture disparate yet correlated aspects of items, we propose a multimodal transformation mechanism, integrated with modality-specific encoders, to effectively fuse features from all modalities. Moreover, to differentiate the influence of diverse modality types, we devise a progressive weight copying fusion module within LIRDRec. This module incrementally learns the weight assigned to each modality in synthesizing the final user or item representations. Finally, we utilize the powerful visual understanding of Multimodal Large Language Models (MLLMs) to convert the item images into texts and extract semantics embeddings upon the texts via LLMs. Empirical evaluations conducted on five real-world datasets validate the superiority of our approach relative to competing baselines. It is worth noting the proposed model, equipped with embeddings extracted from MLLMs and LLMs, can further improve the recommendation accuracy of NDCG@20 by an average of 4.21% compared to the original embeddings.

  • 4 authors
·
May 8, 2025

Contrastive Learning of Medical Visual Representations from Paired Images and Text

Learning visual representations of medical images (e.g., X-rays) is core to medical image understanding but its progress has been held back by the scarcity of human annotations. Existing work commonly relies on fine-tuning weights transferred from ImageNet pretraining, which is suboptimal due to drastically different image characteristics, or rule-based label extraction from the textual report data paired with medical images, which is inaccurate and hard to generalize. Meanwhile, several recent studies show exciting results from unsupervised contrastive learning from natural images, but we find these methods help little on medical images because of their high inter-class similarity. We propose ConVIRT, an alternative unsupervised strategy to learn medical visual representations by exploiting naturally occurring paired descriptive text. Our new method of pretraining medical image encoders with the paired text data via a bidirectional contrastive objective between the two modalities is domain-agnostic, and requires no additional expert input. We test ConVIRT by transferring our pretrained weights to 4 medical image classification tasks and 2 zero-shot retrieval tasks, and show that it leads to image representations that considerably outperform strong baselines in most settings. Notably, in all 4 classification tasks, our method requires only 10\% as much labeled training data as an ImageNet initialized counterpart to achieve better or comparable performance, demonstrating superior data efficiency.

  • 5 authors
·
Oct 1, 2020

Self-supervised Learning of Echocardiographic Video Representations via Online Cluster Distillation

Self-supervised learning (SSL) has achieved major advances in natural images and video understanding, but challenges remain in domains like echocardiography (heart ultrasound) due to subtle anatomical structures, complex temporal dynamics, and the current lack of domain-specific pre-trained models. Existing SSL approaches such as contrastive, masked modeling, and clustering-based methods struggle with high intersample similarity, sensitivity to low PSNR inputs common in ultrasound, or aggressive augmentations that distort clinically relevant features. We present DISCOVR (Distilled Image Supervision for Cross Modal Video Representation), a self-supervised dual branch framework for cardiac ultrasound video representation learning. DISCOVR combines a clustering-based video encoder that models temporal dynamics with an online image encoder that extracts fine-grained spatial semantics. These branches are connected through a semantic cluster distillation loss that transfers anatomical knowledge from the evolving image encoder to the video encoder, enabling temporally coherent representations enriched with fine-grained semantic understanding. Evaluated on six echocardiography datasets spanning fetal, pediatric, and adult populations, DISCOVR outperforms both specialized video anomaly detection methods and state-of-the-art video-SSL baselines in zero-shot and linear probing setups, and achieves superior segmentation transfer.

  • 7 authors
·
Jun 13, 2025

TD-JEPA: Latent-predictive Representations for Zero-Shot Reinforcement Learning

Latent prediction--where agents learn by predicting their own latents--has emerged as a powerful paradigm for training general representations in machine learning. In reinforcement learning (RL), this approach has been explored to define auxiliary losses for a variety of settings, including reward-based and unsupervised RL, behavior cloning, and world modeling. While existing methods are typically limited to single-task learning, one-step prediction, or on-policy trajectory data, we show that temporal difference (TD) learning enables learning representations predictive of long-term latent dynamics across multiple policies from offline, reward-free transitions. Building on this, we introduce TD-JEPA, which leverages TD-based latent-predictive representations into unsupervised RL. TD-JEPA trains explicit state and task encoders, a policy-conditioned multi-step predictor, and a set of parameterized policies directly in latent space. This enables zero-shot optimization of any reward function at test time. Theoretically, we show that an idealized variant of TD-JEPA avoids collapse with proper initialization, and learns encoders that capture a low-rank factorization of long-term policy dynamics, while the predictor recovers their successor features in latent space. Empirically, TD-JEPA matches or outperforms state-of-the-art baselines on locomotion, navigation, and manipulation tasks across 13 datasets in ExoRL and OGBench, especially in the challenging setting of zero-shot RL from pixels.

  • 5 authors
·
Oct 1, 2025