new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Sep 15

Towards Universal Sequence Representation Learning for Recommender Systems

In order to develop effective sequential recommenders, a series of sequence representation learning (SRL) methods are proposed to model historical user behaviors. Most existing SRL methods rely on explicit item IDs for developing the sequence models to better capture user preference. Though effective to some extent, these methods are difficult to be transferred to new recommendation scenarios, due to the limitation by explicitly modeling item IDs. To tackle this issue, we present a novel universal sequence representation learning approach, named UniSRec. The proposed approach utilizes the associated description text of items to learn transferable representations across different recommendation scenarios. For learning universal item representations, we design a lightweight item encoding architecture based on parametric whitening and mixture-of-experts enhanced adaptor. For learning universal sequence representations, we introduce two contrastive pre-training tasks by sampling multi-domain negatives. With the pre-trained universal sequence representation model, our approach can be effectively transferred to new recommendation domains or platforms in a parameter-efficient way, under either inductive or transductive settings. Extensive experiments conducted on real-world datasets demonstrate the effectiveness of the proposed approach. Especially, our approach also leads to a performance improvement in a cross-platform setting, showing the strong transferability of the proposed universal SRL method. The code and pre-trained model are available at: https://github.com/RUCAIBox/UniSRec.

  • 6 authors
·
Jun 12, 2022

SkeletonMAE: Graph-based Masked Autoencoder for Skeleton Sequence Pre-training

Skeleton sequence representation learning has shown great advantages for action recognition due to its promising ability to model human joints and topology. However, the current methods usually require sufficient labeled data for training computationally expensive models, which is labor-intensive and time-consuming. Moreover, these methods ignore how to utilize the fine-grained dependencies among different skeleton joints to pre-train an efficient skeleton sequence learning model that can generalize well across different datasets. In this paper, we propose an efficient skeleton sequence learning framework, named Skeleton Sequence Learning (SSL). To comprehensively capture the human pose and obtain discriminative skeleton sequence representation, we build an asymmetric graph-based encoder-decoder pre-training architecture named SkeletonMAE, which embeds skeleton joint sequence into Graph Convolutional Network (GCN) and reconstructs the masked skeleton joints and edges based on the prior human topology knowledge. Then, the pre-trained SkeletonMAE encoder is integrated with the Spatial-Temporal Representation Learning (STRL) module to build the SSL framework. Extensive experimental results show that our SSL generalizes well across different datasets and outperforms the state-of-the-art self-supervised skeleton-based action recognition methods on FineGym, Diving48, NTU 60 and NTU 120 datasets. Additionally, we obtain comparable performance to some fully supervised methods. The code is avaliable at https://github.com/HongYan1123/SkeletonMAE.

  • 6 authors
·
Jul 17, 2023

Self-supervised Character-to-Character Distillation for Text Recognition

When handling complicated text images (e.g., irregular structures, low resolution, heavy occlusion, and uneven illumination), existing supervised text recognition methods are data-hungry. Although these methods employ large-scale synthetic text images to reduce the dependence on annotated real images, the domain gap still limits the recognition performance. Therefore, exploring the robust text feature representations on unlabeled real images by self-supervised learning is a good solution. However, existing self-supervised text recognition methods conduct sequence-to-sequence representation learning by roughly splitting the visual features along the horizontal axis, which limits the flexibility of the augmentations, as large geometric-based augmentations may lead to sequence-to-sequence feature inconsistency. Motivated by this, we propose a novel self-supervised Character-to-Character Distillation method, CCD, which enables versatile augmentations to facilitate general text representation learning. Specifically, we delineate the character structures of unlabeled real images by designing a self-supervised character segmentation module. Following this, CCD easily enriches the diversity of local characters while keeping their pairwise alignment under flexible augmentations, using the transformation matrix between two augmented views from images. Experiments demonstrate that CCD achieves state-of-the-art results, with average performance gains of 1.38% in text recognition, 1.7% in text segmentation, 0.24 dB (PSNR) and 0.0321 (SSIM) in text super-resolution. Code is available at https://github.com/TongkunGuan/CCD.

  • 6 authors
·
Nov 1, 2022

Camera-Driven Representation Learning for Unsupervised Domain Adaptive Person Re-identification

We present a novel unsupervised domain adaption method for person re-identification (reID) that generalizes a model trained on a labeled source domain to an unlabeled target domain. We introduce a camera-driven curriculum learning (CaCL) framework that leverages camera labels of person images to transfer knowledge from source to target domains progressively. To this end, we divide target domain dataset into multiple subsets based on the camera labels, and initially train our model with a single subset (i.e., images captured by a single camera). We then gradually exploit more subsets for training, according to a curriculum sequence obtained with a camera-driven scheduling rule. The scheduler considers maximum mean discrepancies (MMD) between each subset and the source domain dataset, such that the subset closer to the source domain is exploited earlier within the curriculum. For each curriculum sequence, we generate pseudo labels of person images in a target domain to train a reID model in a supervised way. We have observed that the pseudo labels are highly biased toward cameras, suggesting that person images obtained from the same camera are likely to have the same pseudo labels, even for different IDs. To address the camera bias problem, we also introduce a camera-diversity (CD) loss encouraging person images of the same pseudo label, but captured across various cameras, to involve more for discriminative feature learning, providing person representations robust to inter-camera variations. Experimental results on standard benchmarks, including real-to-real and synthetic-to-real scenarios, demonstrate the effectiveness of our framework.

  • 6 authors
·
Aug 23, 2023

Towards a Densing Law for User Representation Learning at Billion-Scale Capacity

User representation learning in real-world industrial scenarios is commonly scaled by increasing user amount, behavioral sequence length and model size. However, existing methods face two challenges: (i) Bottleneck for raw data scaling at billion-scale capacity, as performance exhibit diminishing performance gains with larger-scale raw text user behavioral input, which can be mitigated by tokenization. (ii) Lack of quantitative analysis of how tokenization configurations should scale with data size. In this report, we propose User Behavioral Densing Law for characterizing the quantitative relationship between data scale and the minimum sufficient tokenization capacity. Firstly, we conduct a pilot study on raw & tokenized scaling comparison on billion-scale Alipay dataset, revealing the raw data scaling bottleneck and the sustained gains enabled by tokenization. To derive the scaling pattern governing the minimum sufficient tokenization configuration at different data scales, theoretical analysis and systematic experiments are employed to summarize the quantitative scaling pattern. We find an approximately linear relationship between the logarithms of minimum sufficient tokenization capacity and input data size measured by tokens, and the scaling slope varies systematically with the tokenization method and data source, reflecting differences in representation-space redundancy and intra-source uniqueness. Guided by the proposed law, we further develop ALGN, an adaptive variable-length tokenization method that improves capacity allocation. Extensive experiments across diverse data sources, tokenization methods, and downstream tasks demonstrate the generalizability and reliability of the User Behavioral Densing Law, providing practical guidance for tokenization configuration selection in large-scale user representation learning. Moreover, ALGN outperforms existing baselines.

antgroup Ant Group
·
Aug 23 3

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

Patch-level Representation Learning for Self-supervised Vision Transformers

Recent self-supervised learning (SSL) methods have shown impressive results in learning visual representations from unlabeled images. This paper aims to improve their performance further by utilizing the architectural advantages of the underlying neural network, as the current state-of-the-art visual pretext tasks for SSL do not enjoy the benefit, i.e., they are architecture-agnostic. In particular, we focus on Vision Transformers (ViTs), which have gained much attention recently as a better architectural choice, often outperforming convolutional networks for various visual tasks. The unique characteristic of ViT is that it takes a sequence of disjoint patches from an image and processes patch-level representations internally. Inspired by this, we design a simple yet effective visual pretext task, coined SelfPatch, for learning better patch-level representations. To be specific, we enforce invariance against each patch and its neighbors, i.e., each patch treats similar neighboring patches as positive samples. Consequently, training ViTs with SelfPatch learns more semantically meaningful relations among patches (without using human-annotated labels), which can be beneficial, in particular, to downstream tasks of a dense prediction type. Despite its simplicity, we demonstrate that it can significantly improve the performance of existing SSL methods for various visual tasks, including object detection and semantic segmentation. Specifically, SelfPatch significantly improves the recent self-supervised ViT, DINO, by achieving +1.3 AP on COCO object detection, +1.2 AP on COCO instance segmentation, and +2.9 mIoU on ADE20K semantic segmentation.

  • 4 authors
·
Jun 16, 2022

VideoMoCo: Contrastive Video Representation Learning with Temporally Adversarial Examples

MoCo is effective for unsupervised image representation learning. In this paper, we propose VideoMoCo for unsupervised video representation learning. Given a video sequence as an input sample, we improve the temporal feature representations of MoCo from two perspectives. First, we introduce a generator to drop out several frames from this sample temporally. The discriminator is then learned to encode similar feature representations regardless of frame removals. By adaptively dropping out different frames during training iterations of adversarial learning, we augment this input sample to train a temporally robust encoder. Second, we use temporal decay to model key attenuation in the memory queue when computing the contrastive loss. As the momentum encoder updates after keys enqueue, the representation ability of these keys degrades when we use the current input sample for contrastive learning. This degradation is reflected via temporal decay to attend the input sample to recent keys in the queue. As a result, we adapt MoCo to learn video representations without empirically designing pretext tasks. By empowering the temporal robustness of the encoder and modeling the temporal decay of the keys, our VideoMoCo improves MoCo temporally based on contrastive learning. Experiments on benchmark datasets including UCF101 and HMDB51 show that VideoMoCo stands as a state-of-the-art video representation learning method.

  • 5 authors
·
Mar 16, 2021

Diffusion Sequence Models for Enhanced Protein Representation and Generation

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language Models (pLMs) aim to unlock insights from the vast space of unlabeled protein sequences by learning rich, semantic representations from primary sequences via masked language modeling. However, these models typically exhibit limited generative capacity. In this work, we introduce the Diffusion Sequence Model (DSM), a novel pLM trained with masked diffusion to enable both high-quality representation learning and generative protein design. DSM builds upon the ESM2 architecture by incorporating a masked forward diffusion process inspired by the LLaDA framework. After training, DSM is capable of generating diverse, biomimetic sequences that align with expected amino acid compositions, secondary structures, and predicted functions, even with 90\% token corruption. Furthermore, DSM's learned representations match or exceed those of similarly sized pLMs on downstream tasks. We also introduce DSM(ppi), a variant fine-tuned to generate protein binders by attending to target sequences. We demonstrate DSM(ppi)'s effectiveness on the challenging Bench-tested Binder Benchmark (BenchBB), where both DSM and DSM(ppi) produce candidates with superior predicted binding affinity compared to known binders. Our results establish masked diffusion as a powerful paradigm for unifying protein representation and generation in a single framework.

  • 4 authors
·
Jun 9, 2025

Frequency-Aware Self-Supervised Music Representation Learning

Self-supervised learning (SSL) has emerged as an essential paradigm for music information retrieval (MIR). While current SSL models achieve state-of-the-art performance across various MIR tasks, they typically treat audio as 1D sequences, either operating on time-domain waveforms or on flattened time-frequency-domain spectrograms. This discards the rich spatial and structural information in time-frequency representations and overlooks a fundamental intuition in music production. In particular, music is naturally represented as time-frequency grids in MIDI-based workflows, a structure that tightly corresponds to 2D spectrograms and inherently makes many MIR tasks trivial. Motivated by this intuition, we propose PupuJEPA, a visual Joint-Embedding Predictive Architecture (JEPA) that is trained directly on 2D spectrograms. Instead of applying masked language modeling (MLM) to 1D sequences, PupuJEPA learns robust representations by predicting the latent embeddings of masked 2D spectrogram patches from unmasked contexts. To optimally adapt such a visual framework to music signals, we also apply domain-specific modifications to model architecture, training scheme, and inference paradigm, with comprehensive ablation studies showing their effectiveness. Evaluations on the MARBLE benchmark show that PupuJEPA outperforms the 1D sequence-based SSL models across multiple MIR tasks in linear probing. Additionally, case studies of the attention maps also confirm that PupuJEPA captures musically meaningful patterns within the 2D time-frequency domain. Codes and checkpoints are available at: https://www.yichenggu.com/PupuJEPA/.

  • 5 authors
·
Jun 23

ViG: Linear-complexity Visual Sequence Learning with Gated Linear Attention

Recently, linear complexity sequence modeling networks have achieved modeling capabilities similar to Vision Transformers on a variety of computer vision tasks, while using fewer FLOPs and less memory. However, their advantage in terms of actual runtime speed is not significant. To address this issue, we introduce Gated Linear Attention (GLA) for vision, leveraging its superior hardware-awareness and efficiency. We propose direction-wise gating to capture 1D global context through bidirectional modeling and a 2D gating locality injection to adaptively inject 2D local details into 1D global context. Our hardware-aware implementation further merges forward and backward scanning into a single kernel, enhancing parallelism and reducing memory cost and latency. The proposed model, ViG, offers a favorable trade-off in accuracy, parameters, and FLOPs on ImageNet and downstream tasks, outperforming popular Transformer and CNN-based models. Notably, ViG-S matches DeiT-B's accuracy while using only 27% of the parameters and 20% of the FLOPs, running 2times faster on 224times224 images. At 1024times1024 resolution, ViG-T uses 5.2times fewer FLOPs, saves 90% GPU memory, runs 4.8times faster, and achieves 20.7% higher top-1 accuracy than DeiT-T. These results position ViG as an efficient and scalable solution for visual representation learning. Code is available at https://github.com/hustvl/ViG.

  • 5 authors
·
May 28, 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

Learning Without Augmenting: Unsupervised Time Series Representation Learning via Frame Projections

Self-supervised learning (SSL) has emerged as a powerful paradigm for learning representations without labeled data. Most SSL approaches rely on strong, well-established, handcrafted data augmentations to generate diverse views for representation learning. However, designing such augmentations requires domain-specific knowledge and implicitly imposes representational invariances on the model, which can limit generalization. In this work, we propose an unsupervised representation learning method that replaces augmentations by generating views using orthonormal bases and overcomplete frames. We show that embeddings learned from orthonormal and overcomplete spaces reside on distinct manifolds, shaped by the geometric biases introduced by representing samples in different spaces. By jointly leveraging the complementary geometry of these distinct manifolds, our approach achieves superior performance without artificially increasing data diversity through strong augmentations. We demonstrate the effectiveness of our method on nine datasets across five temporal sequence tasks, where signal-specific characteristics make data augmentations particularly challenging. Without relying on augmentation-induced diversity, our method achieves performance gains of up to 15--20\% over existing self-supervised approaches. Source code: https://github.com/eth-siplab/Learning-with-FrameProjections

  • 2 authors
·
Oct 26, 2025

TREND: Unsupervised 3D Representation Learning via Temporal Forecasting for LiDAR Perception

Labeling LiDAR point clouds is notoriously time-and-energy-consuming, which spurs recent unsupervised 3D representation learning methods to alleviate the labeling burden in LiDAR perception via pretrained weights. Almost all existing work focus on a single frame of LiDAR point cloud and neglect the temporal LiDAR sequence, which naturally accounts for object motion (and their semantics). Instead, we propose TREND, namely Temporal REndering with Neural fielD, to learn 3D representation via forecasting the future observation in an unsupervised manner. Unlike existing work that follows conventional contrastive learning or masked auto encoding paradigms, TREND integrates forecasting for 3D pre-training through a Recurrent Embedding scheme to generate 3D embedding across time and a Temporal Neural Field to represent the 3D scene, through which we compute the loss using differentiable rendering. To our best knowledge, TREND is the first work on temporal forecasting for unsupervised 3D representation learning. We evaluate TREND on downstream 3D object detection tasks on popular datasets, including NuScenes, Once and Waymo. Experiment results show that TREND brings up to 90% more improvement as compared to previous SOTA unsupervised 3D pre-training methods and generally improve different downstream models across datasets, demonstrating that indeed temporal forecasting brings improvement for LiDAR perception. Codes and models will be released.

  • 6 authors
·
Dec 4, 2024

Vision Mamba: Efficient Visual Representation Learning with Bidirectional State Space Model

Recently the state space models (SSMs) with efficient hardware-aware designs, i.e., Mamba, have shown great potential for long sequence modeling. Building efficient and generic vision backbones purely upon SSMs is an appealing direction. However, representing visual data is challenging for SSMs due to the position-sensitivity of visual data and the requirement of global context for visual understanding. In this paper, we show that the reliance of visual representation learning on self-attention is not necessary and propose a new generic vision backbone with bidirectional Mamba blocks (Vim), which marks the image sequences with position embeddings and compresses the visual representation with bidirectional state space models. On ImageNet classification, COCO object detection, and ADE20k semantic segmentation tasks, Vim achieves higher performance compared to well-established vision transformers like DeiT, while also demonstrating significantly improved computation & memory efficiency. For example, Vim is 2.8times faster than DeiT and saves 86.8% GPU memory when performing batch inference to extract features on images with a resolution of 1248times1248. The results demonstrate that Vim is capable of overcoming the computation & memory constraints on performing Transformer-style understanding for high-resolution images and it has great potential to become the next-generation backbone for vision foundation models. Code is available at https://github.com/hustvl/Vim.

  • 6 authors
·
Jan 17, 2024 3

VQ-VAD: Vector-quantized Motion Representation Learning for Human-centric Video Anomaly Detection

Video Anomaly Detection (VAD) is inherently challenging due to the scarcity of anomalies and the large visual variability in surveillance footage, including changes in lighting, viewpoint, and human appearance. To mitigate visual noise and address privacy concerns, recent work has shifted to pose-based VAD, which focuses on motion dynamics rather than raw video data. However, existing pose-based approaches model human behavior in continuous latent spaces, limiting their ability to learn compact motion patterns necessary for robust behavior analysis. We address this by proposing Vector-Quantized Video Anomaly Detection (VQ-VAD), a novel human-centric anomaly detection framework that learns discrete motion representations. VQ-VAD adapts Vector-Quantized GAN (VQ-GAN), originally developed for image generation, to operate on keypoint sequences and construct a motion codebook of normal behavior. Trained exclusively on normal motion sequences, VQ-VAD detects anomalies by identifying high reconstruction errors when an observed motion sequence cannot be mapped to the learned codebook. We conduct extensive experiments across three complementary evaluation settings, including in-domain, cross-domain, and cross-dataset generalization, on four anomaly detection benchmarks. VQ-VAD achieves strong in-domain accuracy (81.83% on HR-SHT [15]), effective cross-domain transfer from CMU Panoptic [14] (76.69% on HR-SHT [15] without retraining), and competitive cross-dataset robustness. The code base for this work is available at https://github.com/TeCSAR-UNCC/VQ-VAD.

  • 5 authors
·
Aug 4

MISSRec: Pre-training and Transferring Multi-modal Interest-aware Sequence Representation for Recommendation

The goal of sequential recommendation (SR) is to predict a user's potential interested items based on her/his historical interaction sequences. Most existing sequential recommenders are developed based on ID features, which, despite their widespread use, often underperform with sparse IDs and struggle with the cold-start problem. Besides, inconsistent ID mappings hinder the model's transferability, isolating similar recommendation domains that could have been co-optimized. This paper aims to address these issues by exploring the potential of multi-modal information in learning robust and generalizable sequence representations. We propose MISSRec, a multi-modal pre-training and transfer learning framework for SR. On the user side, we design a Transformer-based encoder-decoder model, where the contextual encoder learns to capture the sequence-level multi-modal user interests while a novel interest-aware decoder is developed to grasp item-modality-interest relations for better sequence representation. On the candidate item side, we adopt a dynamic fusion module to produce user-adaptive item representation, providing more precise matching between users and items. We pre-train the model with contrastive learning objectives and fine-tune it in an efficient manner. Extensive experiments demonstrate the effectiveness and flexibility of MISSRec, promising a practical solution for real-world recommendation scenarios. Data and code are available on https://github.com/gimpong/MM23-MISSRec.

  • 10 authors
·
Oct 22, 2023

Online Writer Retrieval with Chinese Handwritten Phrases: A Synergistic Temporal-Frequency Representation Learning Approach

Currently, the prevalence of online handwriting has spurred a critical need for effective retrieval systems to accurately search relevant handwriting instances from specific writers, known as online writer retrieval. Despite the growing demand, this field suffers from a scarcity of well-established methodologies and public large-scale datasets. This paper tackles these challenges with a focus on Chinese handwritten phrases. First, we propose DOLPHIN, a novel retrieval model designed to enhance handwriting representations through synergistic temporal-frequency analysis. For frequency feature learning, we propose the HFGA block, which performs gated cross-attention between the vanilla temporal handwriting sequence and its high-frequency sub-bands to amplify salient writing details. For temporal feature learning, we propose the CAIR block, tailored to promote channel interaction and reduce channel redundancy. Second, to address data deficit, we introduce OLIWER, a large-scale online writer retrieval dataset encompassing over 670,000 Chinese handwritten phrases from 1,731 individuals. Through extensive evaluations, we demonstrate the superior performance of DOLPHIN over existing methods. In addition, we explore cross-domain writer retrieval and reveal the pivotal role of increasing feature alignment in bridging the distributional gap between different handwriting data. Our findings emphasize the significance of point sampling frequency and pressure features in improving handwriting representation quality and retrieval performance. Code and dataset are available at https://github.com/SCUT-DLVCLab/DOLPHIN.

  • 2 authors
·
Dec 16, 2024

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

BrainDINO: A Brain MRI Foundation Model for Generalizable Clinical Representation Learning

Brain MRI underpins a wide range of neuroscientific and clinical applications, yet most learning-based methods remain task-specific and require substantial labeled data. Here we show that a single self-supervised representation can generalize across heterogeneous brain MRI endpoints. We trained BrainDINO, a self-distilled foundation model, on approximately 6.6 million unlabeled axial slices from 20 datasets encompassing broad variation in population, disease, and acquisition setting. Using a frozen encoder with lightweight task heads, BrainDINO supported transfer across tumor segmentation, neurodegenerative and neurodevelopmental conditions classification, brain age estimation, post-stroke temporal prediction, molecular status prediction, MRI sequence classification, and survival modeling. Across tasks and supervision regimes, BrainDINO consistently equaled or exceeded natural-image and MRI-specific self-supervised baselines, with particularly strong advantages under label scarcity. Representation analyses further showed anatomically organized and pathology-sensitive feature structure in the absence of task-specific supervision. Our findings indicate that large-scale slice-wise self-supervised learning can yield a unified brain MRI representation that supports diverse neuroimaging tasks without volumetric pretraining or full-network fine-tuning, establishing a scalable foundation for robust and data-efficient brain imaging analysis.

  • 8 authors
·
Apr 29

Imagination is All You Need! Curved Contrastive Learning for Abstract Sequence Modeling Utilized on Long Short-Term Dialogue Planning

Inspired by the curvature of space-time (Einstein, 1921), we introduce Curved Contrastive Learning (CCL), a novel representation learning technique for learning the relative turn distance between utterance pairs in multi-turn dialogues. The resulting bi-encoder models can guide transformers as a response ranking model towards a goal in a zero-shot fashion by projecting the goal utterance and the corresponding reply candidates into a latent space. Here the cosine similarity indicates the distance/reachability of a candidate utterance toward the corresponding goal. Furthermore, we explore how these forward-entailing language representations can be utilized for assessing the likelihood of sequences by the entailment strength i.e. through the cosine similarity of its individual members (encoded separately) as an emergent property in the curved space. These non-local properties allow us to imagine the likelihood of future patterns in dialogues, specifically by ordering/identifying future goal utterances that are multiple turns away, given a dialogue context. As part of our analysis, we investigate characteristics that make conversations (un)plannable and find strong evidence of planning capability over multiple turns (in 61.56% over 3 turns) in conversations from the DailyDialog (Li et al., 2017) dataset. Finally, we show how we achieve higher efficiency in sequence modeling tasks compared to previous work thanks to our relativistic approach, where only the last utterance needs to be encoded and computed during inference.

  • 3 authors
·
Nov 14, 2022

Evaluating Protein Transfer Learning with TAPE

Protein modeling is an increasingly popular area of machine learning research. Semi-supervised learning has emerged as an important paradigm in protein modeling due to the high cost of acquiring supervised protein labels, but the current literature is fragmented when it comes to datasets and standardized evaluation techniques. To facilitate progress in this field, we introduce the Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology. We curate tasks into specific training, validation, and test splits to ensure that each task tests biologically relevant generalization that transfers to real-life scenarios. We benchmark a range of approaches to semi-supervised protein representation learning, which span recent work as well as canonical sequence learning techniques. We find that self-supervised pretraining is helpful for almost all models on all tasks, more than doubling performance in some cases. Despite this increase, in several cases features learned by self-supervised pretraining still lag behind features extracted by state-of-the-art non-neural techniques. This gap in performance suggests a huge opportunity for innovative architecture design and improved modeling paradigms that better capture the signal in biological sequences. TAPE will help the machine learning community focus effort on scientifically relevant problems. Toward this end, all data and code used to run these experiments are available at https://github.com/songlab-cal/tape.

  • 8 authors
·
Jun 19, 2019

Meta-DT: Offline Meta-RL as Conditional Sequence Modeling with World Model Disentanglement

A longstanding goal of artificial general intelligence is highly capable generalists that can learn from diverse experiences and generalize to unseen tasks. The language and vision communities have seen remarkable progress toward this trend by scaling up transformer-based models trained on massive datasets, while reinforcement learning (RL) agents still suffer from poor generalization capacity under such paradigms. To tackle this challenge, we propose Meta Decision Transformer (Meta-DT), which leverages the sequential modeling ability of the transformer architecture and robust task representation learning via world model disentanglement to achieve efficient generalization in offline meta-RL. We pretrain a context-aware world model to learn a compact task representation, and inject it as a contextual condition to the causal transformer to guide task-oriented sequence generation. Then, we subtly utilize history trajectories generated by the meta-policy as a self-guided prompt to exploit the architectural inductive bias. We select the trajectory segment that yields the largest prediction error on the pretrained world model to construct the prompt, aiming to encode task-specific information complementary to the world model maximally. Notably, the proposed framework eliminates the requirement of any expert demonstration or domain knowledge at test time. Experimental results on MuJoCo and Meta-World benchmarks across various dataset types show that Meta-DT exhibits superior few and zero-shot generalization capacity compared to strong baselines while being more practical with fewer prerequisites. Our code is available at https://github.com/NJU-RL/Meta-DT.

  • 6 authors
·
Oct 15, 2024

Beyond One Shot, Beyond One Perspective: Cross-View and Long-Horizon Distillation for Better LiDAR Representations

LiDAR representation learning aims to extract rich structural and semantic information from large-scale, readily available datasets, reducing reliance on costly human annotations. However, existing LiDAR representation strategies often overlook the inherent spatiotemporal cues in LiDAR sequences, limiting their effectiveness. In this work, we propose LiMA, a novel long-term image-to-LiDAR Memory Aggregation framework that explicitly captures longer range temporal correlations to enhance LiDAR representation learning. LiMA comprises three key components: 1) a Cross-View Aggregation module that aligns and fuses overlapping regions across neighboring camera views, constructing a more unified and redundancy-free memory bank; 2) a Long-Term Feature Propagation mechanism that efficiently aligns and integrates multi-frame image features, reinforcing temporal coherence during LiDAR representation learning; and 3) a Cross-Sequence Memory Alignment strategy that enforces consistency across driving sequences, improving generalization to unseen environments. LiMA maintains high pretraining efficiency and incurs no additional computational overhead during downstream tasks. Extensive experiments on mainstream LiDAR-based perception benchmarks demonstrate that LiMA significantly improves both LiDAR semantic segmentation and 3D object detection. We hope this work inspires more effective pretraining paradigms for autonomous driving. The code has be made publicly accessible for future research.

  • 5 authors
·
Jul 7, 2025

MambAttention: Mamba with Multi-Head Attention for Generalizable Single-Channel Speech Enhancement

With the advent of new sequence models like Mamba and xLSTM, several studies have shown that these models match or outperform state-of-the-art models in single-channel speech enhancement, automatic speech recognition, and self-supervised audio representation learning. However, prior research has demonstrated that sequence models like LSTM and Mamba tend to overfit to the training set. To address this issue, previous works have shown that adding self-attention to LSTMs substantially improves generalization performance for single-channel speech enhancement. Nevertheless, neither the concept of hybrid Mamba and time-frequency attention models nor their generalization performance have been explored for speech enhancement. In this paper, we propose a novel hybrid architecture, MambAttention, which combines Mamba and shared time- and frequency-multi-head attention modules for generalizable single-channel speech enhancement. To train our model, we introduce VoiceBank+Demand Extended (VB-DemandEx), a dataset inspired by VoiceBank+Demand but with more challenging noise types and lower signal-to-noise ratios. Trained on VB-DemandEx, our proposed MambAttention model significantly outperforms existing state-of-the-art LSTM-, xLSTM-, Mamba-, and Conformer-based systems of similar complexity across all reported metrics on two out-of-domain datasets: DNS 2020 and EARS-WHAM_v2, while matching their performance on the in-domain dataset VB-DemandEx. Ablation studies highlight the role of weight sharing between the time- and frequency-multi-head attention modules for generalization performance. Finally, we explore integrating the shared time- and frequency-multi-head attention modules with LSTM and xLSTM, which yields a notable performance improvement on the out-of-domain datasets. However, our MambAttention model remains superior on both out-of-domain datasets across all reported evaluation metrics.

  • 4 authors
·
Jul 1, 2025

UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment

Retrosynthesis planning poses a formidable challenge in the organic chemical industry, particularly in pharmaceuticals. Single-step retrosynthesis prediction, a crucial step in the planning process, has witnessed a surge in interest in recent years due to advancements in AI for science. Various deep learning-based methods have been proposed for this task in recent years, incorporating diverse levels of additional chemical knowledge dependency. This paper introduces UAlign, a template-free graph-to-sequence pipeline for retrosynthesis prediction. By combining graph neural networks and Transformers, our method can more effectively leverage the inherent graph structure of molecules. Based on the fact that the majority of molecule structures remain unchanged during a chemical reaction, we propose a simple yet effective SMILES alignment technique to facilitate the reuse of unchanged structures for reactant generation. Extensive experiments show that our method substantially outperforms state-of-the-art template-free and semi-template-based approaches. Importantly, Our template-free method achieves effectiveness comparable to, or even surpasses, established powerful template-based methods. Scientific contribution: We present a novel graph-to-sequence template-free retrosynthesis prediction pipeline that overcomes the limitations of Transformer-based methods in molecular representation learning and insufficient utilization of chemical information. We propose an unsupervised learning mechanism for establishing product-atom correspondence with reactant SMILES tokens, achieving even better results than supervised SMILES alignment methods. Extensive experiments demonstrate that UAlign significantly outperforms state-of-the-art template-free methods and rivals or surpasses template-based approaches, with up to 5\% (top-5) and 5.4\% (top-10) increased accuracy over the strongest baseline.

  • 7 authors
·
Mar 24, 2024

Uni$\textbf{F}^2$ace: Fine-grained Face Understanding and Generation with Unified Multimodal Models

Unified multimodal models (UMMs) have emerged as a powerful paradigm in foundational computer vision research, demonstrating significant potential in both image understanding and generation. However, existing research in the face domain primarily focuses on coarse facial attribute understanding, with limited capacity to handle fine-grained facial attributes and without addressing generation capabilities. To overcome these limitations, we propose UniF^2ace, the first UMM tailored specifically for fine-grained face understanding and generation. In general, we train UniF^2ace on a self-constructed, specialized dataset utilizing two mutually beneficial diffusion techniques and a two-level mixture-of-experts architecture. Specifically, we first build a large-scale facial dataset, UniF^2ace-130K, which contains 130K image-text pairs with one million question-answering pairs that span a wide range of facial attributes. Second, we establish a theoretical connection between discrete diffusion score matching and masked generative models, optimizing both evidence lower bounds simultaneously, which significantly improves the model's ability to synthesize facial details. Finally, we introduce both token-level and sequence-level mixture-of-experts, enabling efficient fine-grained representation learning for both understanding and generation tasks. Extensive experiments on UniF^2ace-130K demonstrate that UniF^2ace outperforms existing UMMs and generative models, achieving superior performance across both understanding and generation tasks.

  • 8 authors
·
Mar 11, 2025 3

CheXmix: Unified Generative Pretraining for Vision Language Models in Medical Imaging

Recent medical multimodal foundation models are built as multimodal LLMs (MLLMs) by connecting a CLIP-pretrained vision encoder to an LLM using LLaVA-style finetuning. This two-stage, decoupled approach introduces a projection layer that can distort visual features. This is especially concerning in medical imaging where subtle cues are essential for accurate diagnoses. In contrast, early-fusion generative approaches such as Chameleon eliminate the projection bottleneck by processing image and text tokens within a single unified sequence, enabling joint representation learning that leverages the inductive priors of language models. We present CheXmix, a unified early-fusion generative model trained on a large corpus of chest X-rays paired with radiology reports. We expand on Chameleon's autoregressive framework by introducing a two-stage multimodal generative pretraining strategy that combines the representational strengths of masked autoencoders with MLLMs. The resulting models are highly flexible, supporting both discriminative and generative tasks at both coarse and fine-grained scales. Our approach outperforms well-established generative models across all masking ratios by 6.0% and surpasses CheXagent by 8.6% on AUROC at high image masking ratios on the CheXpert classification task. We further inpaint images over 51.0% better than text-only generative models and outperform CheXagent by 45% on the GREEN metric for radiology report generation. These results demonstrate that CheXmix captures fine-grained information across a broad spectrum of chest X-ray tasks. Our code is at: https://github.com/StanfordMIMI/CheXmix.

  • 11 authors
·
Apr 23

Unsupervised Modality-Transferable Video Highlight Detection with Representation Activation Sequence Learning

Identifying highlight moments of raw video materials is crucial for improving the efficiency of editing videos that are pervasive on internet platforms. However, the extensive work of manually labeling footage has created obstacles to applying supervised methods to videos of unseen categories. The absence of an audio modality that contains valuable cues for highlight detection in many videos also makes it difficult to use multimodal strategies. In this paper, we propose a novel model with cross-modal perception for unsupervised highlight detection. The proposed model learns representations with visual-audio level semantics from image-audio pair data via a self-reconstruction task. To achieve unsupervised highlight detection, we investigate the latent representations of the network and propose the representation activation sequence learning (RASL) module with k-point contrastive learning to learn significant representation activations. To connect the visual modality with the audio modality, we use the symmetric contrastive learning (SCL) module to learn the paired visual and audio representations. Furthermore, an auxiliary task of masked feature vector sequence (FVS) reconstruction is simultaneously conducted during pretraining for representation enhancement. During inference, the cross-modal pretrained model can generate representations with paired visual-audio semantics given only the visual modality. The RASL module is used to output the highlight scores. The experimental results show that the proposed framework achieves superior performance compared to other state-of-the-art approaches.

  • 3 authors
·
Mar 14, 2024

iBitter-Stack: A Multi-Representation Ensemble Learning Model for Accurate Bitter Peptide Identification

The identification of bitter peptides is crucial in various domains, including food science, drug discovery, and biochemical research. These peptides not only contribute to the undesirable taste of hydrolyzed proteins but also play key roles in physiological and pharmacological processes. However, experimental methods for identifying bitter peptides are time-consuming and expensive. With the rapid expansion of peptide sequence databases in the post-genomic era, the demand for efficient computational approaches to distinguish bitter from non-bitter peptides has become increasingly significant. In this study, we propose a novel stacking-based ensemble learning framework aimed at enhancing the accuracy and reliability of bitter peptide classification. Our method integrates diverse sequence-based feature representations and leverages a broad set of machine learning classifiers. The first stacking layer comprises multiple base classifiers, each trained on distinct feature encoding schemes, while the second layer employs logistic regression to refine predictions using an eight-dimensional probability vector. Extensive evaluations on a carefully curated dataset demonstrate that our model significantly outperforms existing predictive methods, providing a robust and reliable computational tool for bitter peptide identification. Our approach achieves an accuracy of 96.09\% and a Matthews Correlation Coefficient (MCC) of 0.9220 on the independent test set, underscoring its effectiveness and generalizability. To facilitate real-time usage and broader accessibility, we have also developed a user-friendly web server based on the proposed method, which is freely accessible at https://ibitter-stack-webserver.streamlit.app/. This tool enables researchers and practitioners to conveniently screen peptide sequences for bitterness in real-time applications.

  • 5 authors
·
May 21, 2025

Representational Homomorphism Predicts and Improves Compositional Generalization In Transformer Language Model

Compositional generalization-the ability to interpret novel combinations of familiar components-remains a persistent challenge for neural networks. Behavioral evaluations reveal when models fail but offer limited insight into why failures arise at the representational level. We introduce Homomorphism Error (HE), a structural metric that quantifies deviations from approximate homomorphisms between the expression algebra and a model's hidden-state space. We instantiate HE for two compositional operators in SCAN-style tasks: modifier HE for unary composition and sequence HE for binary composition, measured by learning representation-level operators that predict composed representations from their parts. Across controlled experiments with small decoder-only Transformers, HE predicts out-of-distribution (OOD) compositional generalization under noise injection, achieving R^2 = 0.73 correlation between modifier HE and OOD accuracy. Ablations show that model depth has minimal effect on either HE or OOD accuracy, training data coverage exhibits threshold effects (insufficient coverage sharply increases HE and degrades OOD performance), and randomly inserted noise tokens systematically increase HE. Finally, we test if HE-regularized training improves OOD accuracy. Experiment shows that explicitly enforcing low modifier HE during training significantly reduces modifier HE (p = 1.1x10-4) and sequence HE (p = 0.001) and yields a statistically significant improvement in OOD accuracy (p = 0.023). Together, these results indicate the potential of HE to be both a diagnostic and an actionable training signal for improving compositional generalization. Code to reproduce our experiments is open-sourced.

  • 2 authors
·
Jan 26

Drawing2CAD: Sequence-to-Sequence Learning for CAD Generation from Vector Drawings

Computer-Aided Design (CAD) generative modeling is driving significant innovations across industrial applications. Recent works have shown remarkable progress in creating solid models from various inputs such as point clouds, meshes, and text descriptions. However, these methods fundamentally diverge from traditional industrial workflows that begin with 2D engineering drawings. The automatic generation of parametric CAD models from these 2D vector drawings remains underexplored despite being a critical step in engineering design. To address this gap, our key insight is to reframe CAD generation as a sequence-to-sequence learning problem where vector drawing primitives directly inform the generation of parametric CAD operations, preserving geometric precision and design intent throughout the transformation process. We propose Drawing2CAD, a framework with three key technical components: a network-friendly vector primitive representation that preserves precise geometric information, a dual-decoder transformer architecture that decouples command type and parameter generation while maintaining precise correspondence, and a soft target distribution loss function accommodating inherent flexibility in CAD parameters. To train and evaluate Drawing2CAD, we create CAD-VGDrawing, a dataset of paired engineering drawings and parametric CAD models, and conduct thorough experiments to demonstrate the effectiveness of our method. Code and dataset are available at https://github.com/lllssc/Drawing2CAD.

  • 6 authors
·
Aug 26, 2025 3

Bio-xLSTM: Generative modeling, representation and in-context learning of biological and chemical sequences

Language models for biological and chemical sequences enable crucial applications such as drug discovery, protein engineering, and precision medicine. Currently, these language models are predominantly based on Transformer architectures. While Transformers have yielded impressive results, their quadratic runtime dependency on the sequence length complicates their use for long genomic sequences and in-context learning on proteins and chemical sequences. Recently, the recurrent xLSTM architecture has been shown to perform favorably compared to Transformers and modern state-space model (SSM) architectures in the natural language domain. Similar to SSMs, xLSTMs have a linear runtime dependency on the sequence length and allow for constant-memory decoding at inference time, which makes them prime candidates for modeling long-range dependencies in biological and chemical sequences. In this work, we tailor xLSTM towards these domains and propose a suite of architectural variants called Bio-xLSTM. Extensive experiments in three large domains, genomics, proteins, and chemistry, were performed to assess xLSTM's ability to model biological and chemical sequences. The results show that models based on Bio-xLSTM a) can serve as proficient generative models for DNA, protein, and chemical sequences, b) learn rich representations for those modalities, and c) can perform in-context learning for proteins and small molecules.

  • 10 authors
·
Nov 6, 2024

Network Representation of Large-Scale Heterogeneous RNA Sequences with Integration of Diverse Multi-omics, Interactions, and Annotations Data

Long non-coding RNA, microRNA, and messenger RNA enable key regulations of various biological processes through a variety of diverse interaction mechanisms. Identifying the interactions and cross-talk between these heterogeneous RNA classes is essential in order to uncover the functional role of individual RNA transcripts, especially for unannotated and newly-discovered RNA sequences with no known interactions. Recently, sequence-based deep learning and network embedding methods are becoming promising approaches that can either predict RNA-RNA interactions from a sequence or infer missing interactions from patterns that may exist in the network topology. However, the majority of these methods have several limitations, eg, the inability to perform inductive predictions, to distinguish the directionality of interactions, or to integrate various sequence, interaction, and annotation biological datasets. We proposed a novel deep learning-based framework, rna2rna, which learns from RNA sequences to produce a low-dimensional embedding that preserves the proximities in both the interactions topology and the functional affinity topology. In this proposed embedding space, we have designated a two-part" source and target contexts" to capture the targeting and receptive fields of each RNA transcript, while encapsulating the heterogenous cross-talk interactions between lncRNAs and miRNAs. From experimental results, our method exhibits superior performance in AUPR rates compared to state-of-art approaches at predicting missing interactions in different RNA-RNA interaction databases and was shown to accurately perform link predictions to novel RNA sequences not seen at training time, even without any prior information. Additional results suggest that our proposed framework can capture a manifold for heterogeneous RNA sequences to discover novel functional annotations.

  • 2 authors
·
Dec 7, 2020

Learning to Drive is a Free Gift: Large-Scale Label-Free Autonomy Pretraining from Unposed In-The-Wild Videos

Ego-centric driving videos available online provide an abundant source of visual data for autonomous driving, yet their lack of annotations makes it difficult to learn representations that capture both semantic structure and 3D geometry. Recent advances in large feedforward spatial models demonstrate that point maps and ego-motion can be inferred in a single forward pass, suggesting a promising direction for scalable driving perception. We therefore propose a label-free, teacher-guided framework for learning autonomous driving representations directly from unposed videos. Unlike prior self-supervised approaches that focus primarily on frame-to-frame consistency, we posit that safe and reactive driving depends critically on temporal context. To this end, we leverage a feedforward architecture equipped with a lightweight autoregressive module, trained using multi-modal supervisory signals that guide the model to jointly predict current and future point maps, camera poses, semantic segmentation, and motion masks. Multi-modal teachers provide sequence-level pseudo-supervision, enabling LFG to learn a unified pseudo-4D representation from raw YouTube videos without poses, labels, or LiDAR. The resulting encoder not only transfers effectively to downstream autonomous driving planning on the NAVSIM benchmark, surpassing multi-camera and LiDAR baselines with only a single monocular camera, but also yields strong performance when evaluated on a range of semantic, geometric, and qualitative motion prediction tasks. These geometry and motion-aware features position LFG as a compelling video-centric foundation model for autonomous driving.

  • 7 authors
·
Mar 3

Attention Weighted Mixture of Experts with Contrastive Learning for Personalized Ranking in E-commerce

Ranking model plays an essential role in e-commerce search and recommendation. An effective ranking model should give a personalized ranking list for each user according to the user preference. Existing algorithms usually extract a user representation vector from the user behavior sequence, then feed the vector into a feed-forward network (FFN) together with other features for feature interactions, and finally produce a personalized ranking score. Despite tremendous progress in the past, there is still room for improvement. Firstly, the personalized patterns of feature interactions for different users are not explicitly modeled. Secondly, most of existing algorithms have poor personalized ranking results for long-tail users with few historical behaviors due to the data sparsity. To overcome the two challenges, we propose Attention Weighted Mixture of Experts (AW-MoE) with contrastive learning for personalized ranking. Firstly, AW-MoE leverages the MoE framework to capture personalized feature interactions for different users. To model the user preference, the user behavior sequence is simultaneously fed into expert networks and the gate network. Within the gate network, one gate unit and one activation unit are designed to adaptively learn the fine-grained activation vector for experts using an attention mechanism. Secondly, a random masking strategy is applied to the user behavior sequence to simulate long-tail users, and an auxiliary contrastive loss is imposed to the output of the gate network to improve the model generalization for these users. This is validated by a higher performance gain on the long-tail user test set. Experiment results on a JD real production dataset and a public dataset demonstrate the effectiveness of AW-MoE, which significantly outperforms state-of-art methods. Notably, AW-MoE has been successfully deployed in the JD e-commerce search engine, ...

  • 10 authors
·
Jun 8, 2023

Representation, Exploration and Recommendation of Music Playlists

Playlists have become a significant part of our listening experience because of the digital cloud-based services such as Spotify, Pandora, Apple Music. Owing to the meteoric rise in the usage of playlists, recommending playlists is crucial to music services today. Although there has been a lot of work done in playlist prediction, the area of playlist representation hasn't received that level of attention. Over the last few years, sequence-to-sequence models, especially in the field of natural language processing, have shown the effectiveness of learned embeddings in capturing the semantic characteristics of sequences. We can apply similar concepts to music to learn fixed length representations for playlists and use those representations for downstream tasks such as playlist discovery, browsing, and recommendation. In this work, we formulate the problem of learning a fixed-length playlist representation in an unsupervised manner, using Sequence-to-sequence (Seq2seq) models, interpreting playlists as sentences and songs as words. We compare our model with two other encoding architectures for baseline comparison. We evaluate our work using the suite of tasks commonly used for assessing sentence embeddings, along with a few additional tasks pertaining to music, and a recommendation task to study the traits captured by the playlist embeddings and their effectiveness for the purpose of music recommendation.

  • 3 authors
·
Jul 1, 2019

Multi-Objective Decision Transformers for Offline Reinforcement Learning

Offline Reinforcement Learning (RL) is structured to derive policies from static trajectory data without requiring real-time environment interactions. Recent studies have shown the feasibility of framing offline RL as a sequence modeling task, where the sole aim is to predict actions based on prior context using the transformer architecture. However, the limitation of this single task learning approach is its potential to undermine the transformer model's attention mechanism, which should ideally allocate varying attention weights across different tokens in the input context for optimal prediction. To address this, we reformulate offline RL as a multi-objective optimization problem, where the prediction is extended to states and returns. We also highlight a potential flaw in the trajectory representation used for sequence modeling, which could generate inaccuracies when modeling the state and return distributions. This is due to the non-smoothness of the action distribution within the trajectory dictated by the behavioral policy. To mitigate this issue, we introduce action space regions to the trajectory representation. Our experiments on D4RL benchmark locomotion tasks reveal that our propositions allow for more effective utilization of the attention mechanism in the transformer model, resulting in performance that either matches or outperforms current state-of-the art methods.

  • 3 authors
·
Aug 30, 2023

Skin Tokens: A Learned Compact Representation for Unified Autoregressive Rigging

The rapid proliferation of generative 3D models has created a critical bottleneck in animation pipelines: rigging. Existing automated methods are fundamentally limited by their approach to skinning, treating it as an ill-posed, high-dimensional regression task that is inefficient to optimize and is typically decoupled from skeleton generation. We posit this is a representation problem and introduce SkinTokens: a learned, compact, and discrete representation for skinning weights. By leveraging an FSQ-CVAE to capture the intrinsic sparsity of skinning, we reframe the task from continuous regression to a more tractable token sequence prediction problem. This representation enables TokenRig, a unified autoregressive framework that models the entire rig as a single sequence of skeletal parameters and SkinTokens, learning the complicated dependencies between skeletons and skin deformations. The unified model is then amenable to a reinforcement learning stage, where tailored geometric and semantic rewards improve generalization to complex, out-of-distribution assets. Quantitatively, the SkinTokens representation leads to a 98%-133% percents improvement in skinning accuracy over state-of-the-art methods, while the full TokenRig framework, refined with RL, enhances bone prediction by 17%-22%. Our work presents a unified, generative approach to rigging that yields higher fidelity and robustness, offering a scalable solution to a long-standing challenge in 3D content creation.

  • 5 authors
·
Feb 4 3

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

Explainable Deep Behavioral Sequence Clustering for Transaction Fraud Detection

In e-commerce industry, user behavior sequence data has been widely used in many business units such as search and merchandising to improve their products. However, it is rarely used in financial services not only due to its 3V characteristics - i.e. Volume, Velocity and Variety - but also due to its unstructured nature. In this paper, we propose a Financial Service scenario Deep learning based Behavior data representation method for Clustering (FinDeepBehaviorCluster) to detect fraudulent transactions. To utilize the behavior sequence data, we treat click stream data as event sequence, use time attention based Bi-LSTM to learn the sequence embedding in an unsupervised fashion, and combine them with intuitive features generated by risk experts to form a hybrid feature representation. We also propose a GPU powered HDBSCAN (pHDBSCAN) algorithm, which is an engineering optimization for the original HDBSCAN algorithm based on FAISS project, so that clustering can be carried out on hundreds of millions of transactions within a few minutes. The computation efficiency of the algorithm has increased 500 times compared with the original implementation, which makes flash fraud pattern detection feasible. Our experimental results show that the proposed FinDeepBehaviorCluster framework is able to catch missed fraudulent transactions with considerable business values. In addition, rule extraction method is applied to extract patterns from risky clusters using intuitive features, so that narrative descriptions can be attached to the risky clusters for case investigation, and unknown risk patterns can be mined for real-time fraud detection. In summary, FinDeepBehaviorCluster as a complementary risk management strategy to the existing real-time fraud detection engine, can further increase our fraud detection and proactive risk defense capabilities.

  • 6 authors
·
Jan 11, 2021

Distribution-Aligned Sequence Distillation for Superior Long-CoT Reasoning

In this report, we introduce DASD-4B-Thinking, a lightweight yet highly capable, fully open-source reasoning model. It achieves SOTA performance among open-source models of comparable scale across challenging benchmarks in mathematics, scientific reasoning, and code generation -- even outperforming several larger models. We begin by critically reexamining a widely adopted distillation paradigm in the community: SFT on teacher-generated responses, also known as sequence-level distillation. Although a series of recent works following this scheme have demonstrated remarkable efficiency and strong empirical performance, they are primarily grounded in the SFT perspective. Consequently, these approaches focus predominantly on designing heuristic rules for SFT data filtering, while largely overlooking the core principle of distillation itself -- enabling the student model to learn the teacher's full output distribution so as to inherit its generalization capability. Specifically, we identify three critical limitations in current practice: i) Inadequate representation of the teacher's sequence-level distribution; ii) Misalignment between the teacher's output distribution and the student's learning capacity; and iii) Exposure bias arising from teacher-forced training versus autoregressive inference. In summary, these shortcomings reflect a systemic absence of explicit teacher-student interaction throughout the distillation process, leaving the essence of distillation underexploited. To address these issues, we propose several methodological innovations that collectively form an enhanced sequence-level distillation training pipeline. Remarkably, DASD-4B-Thinking obtains competitive results using only 448K training samples -- an order of magnitude fewer than those employed by most existing open-source efforts. To support community research, we publicly release our models and the training dataset.

Long-Sequence Recommendation Models Need Decoupled Embeddings

Lifelong user behavior sequences, comprising up to tens of thousands of history behaviors, are crucial for capturing user interests and predicting user responses in modern recommendation systems. A two-stage paradigm is typically adopted to handle these long sequences: a few relevant behaviors are first searched from the original long sequences via an attention mechanism in the first stage and then aggregated with the target item to construct a discriminative representation for prediction in the second stage. In this work, we identify and characterize, for the first time, a neglected deficiency in existing long-sequence recommendation models: a single set of embeddings struggles with learning both attention and representation, leading to interference between these two processes. Initial attempts to address this issue using linear projections -- a technique borrowed from language processing -- proved ineffective, shedding light on the unique challenges of recommendation models. To overcome this, we propose the Decoupled Attention and Representation Embeddings (DARE) model, where two distinct embedding tables are initialized and learned separately to fully decouple attention and representation. Extensive experiments and analysis demonstrate that DARE provides more accurate search of correlated behaviors and outperforms baselines with AUC gains up to 0.9% on public datasets and notable online system improvements. Furthermore, decoupling embedding spaces allows us to reduce the attention embedding dimension and accelerate the search procedure by 50% without significant performance impact, enabling more efficient, high-performance online serving.

  • 9 authors
·
Oct 3, 2024

Revisiting Multi-modal Emotion Learning with Broad State Space Models and Probability-guidance Fusion

Multi-modal Emotion Recognition in Conversation (MERC) has received considerable attention in various fields, e.g., human-computer interaction and recommendation systems. Most existing works perform feature disentanglement and fusion to extract emotional contextual information from multi-modal features and emotion classification. After revisiting the characteristic of MERC, we argue that long-range contextual semantic information should be extracted in the feature disentanglement stage and the inter-modal semantic information consistency should be maximized in the feature fusion stage. Inspired by recent State Space Models (SSMs), Mamba can efficiently model long-distance dependencies. Therefore, in this work, we fully consider the above insights to further improve the performance of MERC. Specifically, on the one hand, in the feature disentanglement stage, we propose a Broad Mamba, which does not rely on a self-attention mechanism for sequence modeling, but uses state space models to compress emotional representation, and utilizes broad learning systems to explore the potential data distribution in broad space. Different from previous SSMs, we design a bidirectional SSM convolution to extract global context information. On the other hand, we design a multi-modal fusion strategy based on probability guidance to maximize the consistency of information between modalities. Experimental results show that the proposed method can overcome the computational and memory limitations of Transformer when modeling long-distance contexts, and has great potential to become a next-generation general architecture in MERC.

  • 5 authors
·
Apr 27, 2024

Merlin:Empowering Multimodal LLMs with Foresight Minds

Humans possess the remarkable ability to foresee the future to a certain extent based on present observations, a skill we term as foresight minds. However, this capability remains largely under explored within existing Multimodal Large Language Models (MLLMs), hindering their capacity to learn the fundamental principles of how things operate and the intentions behind the observed subjects. To address this issue, we introduce the integration of future modeling into the existing learning frameworks of MLLMs. By utilizing the subject trajectory, a highly structured representation of a consecutive frame sequence, as a learning objective, we aim to bridge the gap between the past and the future. We propose two innovative methods to empower MLLMs with foresight minds, Foresight Pre-Training (FPT) and Foresight Instruction-Tuning (FIT), which are inspired by the modern learning paradigm of LLMs. Specifically, FPT jointly training various tasks centered on trajectories, enabling MLLMs to learn how to attend and predict entire trajectories from a given initial observation. Then, FIT requires MLLMs to first predict trajectories of related objects and then reason about potential future events based on them. Aided by FPT and FIT, we build a novel and unified MLLM named Merlin that supports multi-images input and analysis about potential actions of multiple objects for the future reasoning. Experimental results show Merlin powerful foresight minds with impressive performance on both future reasoning and visual comprehension tasks.

  • 11 authors
·
Nov 30, 2023 1

STELLA: Towards Protein Function Prediction with Multimodal LLMs Integrating Sequence-Structure Representations

Protein biology focuses on the intricate relationships among sequences, structures, and functions. Deciphering protein functions is crucial for understanding biological processes, advancing drug discovery, and enabling synthetic biology applications. Since protein sequences determine tertiary structures, which in turn govern functions, integrating sequence and structure information is essential for accurate prediction of protein functions. Traditional protein language models (pLMs) have advanced protein-related tasks by learning representations from large-scale sequence and structure data. However, pLMs are limited in integrating broader contextual knowledge, particularly regarding functional modalities that are fundamental to protein biology. In contrast, large language models (LLMs) have exhibited outstanding performance in contextual understanding, reasoning, and generation across diverse domains. Leveraging these capabilities, STELLA is proposed as a multimodal LLM integrating protein sequence-structure representations with general knowledge to address protein function prediction. Through multimodal instruction tuning (MMIT) using the proposed OPI-Struc dataset, STELLA achieves state-of-the-art performance in two function-related tasks-functional description prediction (FP) and enzyme-catalyzed reaction prediction (EP). This study highlights the potential of multimodal LLMs as an alternative paradigm to pLMs to advance protein biology research.

  • 10 authors
·
Jun 3, 2025

ProtST: Multi-Modality Learning of Protein Sequences and Biomedical Texts

Current protein language models (PLMs) learn protein representations mainly based on their sequences, thereby well capturing co-evolutionary information, but they are unable to explicitly acquire protein functions, which is the end goal of protein representation learning. Fortunately, for many proteins, their textual property descriptions are available, where their various functions are also described. Motivated by this fact, we first build the ProtDescribe dataset to augment protein sequences with text descriptions of their functions and other important properties. Based on this dataset, we propose the ProtST framework to enhance Protein Sequence pre-training and understanding by biomedical Texts. During pre-training, we design three types of tasks, i.e., unimodal mask prediction, multimodal representation alignment and multimodal mask prediction, to enhance a PLM with protein property information with different granularities and, at the same time, preserve the PLM's original representation power. On downstream tasks, ProtST enables both supervised learning and zero-shot prediction. We verify the superiority of ProtST-induced PLMs over previous ones on diverse representation learning benchmarks. Under the zero-shot setting, we show the effectiveness of ProtST on zero-shot protein classification, and ProtST also enables functional protein retrieval from a large-scale database without any function annotation.

  • 4 authors
·
Jan 27, 2023

Neural Discrete Token Representation Learning for Extreme Token Reduction in Video Large Language Models

Token-based video representation has emerged as a promising approach for enabling large language models (LLMs) to interpret video content. However, existing token reduction techniques, such as pruning and merging, often disrupt essential positional embeddings and rely on continuous visual tokens sampled from nearby pixels with similar spatial-temporal locations. By removing only a small fraction of tokens, these methods still produce relatively lengthy continuous sequences, which falls short of the extreme compression required to balance computational efficiency and token count in video LLMs. In this paper, we introduce the novel task of Extreme Short Token Reduction, which aims to represent entire videos using a minimal set of discrete tokens. We propose VQToken, a neural discrete token representation framework that (i) applies adaptive vector quantization to continuous ViT embeddings to learn a compact codebook and (ii) preserves spatial-temporal positions via a token hash function by assigning each grid-level token to its nearest codebook entry. On the Extreme Short Token Reduction task, our VQToken compresses sequences to just 0.07 percent of their original length while incurring only a 0.66 percent drop in accuracy on the NextQA-MC benchmark. It also achieves comparable performance on ActNet-QA, Long Video Bench, and VideoMME. We further introduce the Token Information Density (TokDense) metric and formalize fixed-length and adaptive-length subtasks, achieving state-of-the-art results in both settings. Our approach dramatically lowers theoretical complexity, increases information density, drastically reduces token counts, and enables efficient video LLMs in resource-constrained environments.

  • 2 authors
·
Mar 21, 2025

Hierarchical Spatio-Temporal Representation Learning for Gait Recognition

Gait recognition is a biometric technique that identifies individuals by their unique walking styles, which is suitable for unconstrained environments and has a wide range of applications. While current methods focus on exploiting body part-based representations, they often neglect the hierarchical dependencies between local motion patterns. In this paper, we propose a hierarchical spatio-temporal representation learning (HSTL) framework for extracting gait features from coarse to fine. Our framework starts with a hierarchical clustering analysis to recover multi-level body structures from the whole body to local details. Next, an adaptive region-based motion extractor (ARME) is designed to learn region-independent motion features. The proposed HSTL then stacks multiple ARMEs in a top-down manner, with each ARME corresponding to a specific partition level of the hierarchy. An adaptive spatio-temporal pooling (ASTP) module is used to capture gait features at different levels of detail to perform hierarchical feature mapping. Finally, a frame-level temporal aggregation (FTA) module is employed to reduce redundant information in gait sequences through multi-scale temporal downsampling. Extensive experiments on CASIA-B, OUMVLP, GREW, and Gait3D datasets demonstrate that our method outperforms the state-of-the-art while maintaining a reasonable balance between model accuracy and complexity.

UNesT: Local Spatial Representation Learning with Hierarchical Transformer for Efficient Medical Segmentation

Transformer-based models, capable of learning better global dependencies, have recently demonstrated exceptional representation learning capabilities in computer vision and medical image analysis. Transformer reformats the image into separate patches and realizes global communication via the self-attention mechanism. However, positional information between patches is hard to preserve in such 1D sequences, and loss of it can lead to sub-optimal performance when dealing with large amounts of heterogeneous tissues of various sizes in 3D medical image segmentation. Additionally, current methods are not robust and efficient for heavy-duty medical segmentation tasks such as predicting a large number of tissue classes or modeling globally inter-connected tissue structures. To address such challenges and inspired by the nested hierarchical structures in vision transformer, we proposed a novel 3D medical image segmentation method (UNesT), employing a simplified and faster-converging transformer encoder design that achieves local communication among spatially adjacent patch sequences by aggregating them hierarchically. We extensively validate our method on multiple challenging datasets, consisting of multiple modalities, anatomies, and a wide range of tissue classes, including 133 structures in the brain, 14 organs in the abdomen, 4 hierarchical components in the kidneys, inter-connected kidney tumors and brain tumors. We show that UNesT consistently achieves state-of-the-art performance and evaluate its generalizability and data efficiency. Particularly, the model achieves whole brain segmentation task complete ROI with 133 tissue classes in a single network, outperforming prior state-of-the-art method SLANT27 ensembled with 27 networks.

  • 15 authors
·
Sep 7, 2023

CrossVideoMAE: Self-Supervised Image-Video Representation Learning with Masked Autoencoders

Current video-based Masked Autoencoders (MAEs) primarily focus on learning effective spatiotemporal representations from a visual perspective, which may lead the model to prioritize general spatial-temporal patterns but often overlook nuanced semantic attributes like specific interactions or sequences that define actions - such as action-specific features that align more closely with human cognition for space-time correspondence. This can limit the model's ability to capture the essence of certain actions that are contextually rich and continuous. Humans are capable of mapping visual concepts, object view invariance, and semantic attributes available in static instances to comprehend natural dynamic scenes or videos. Existing MAEs for videos and static images rely on separate datasets for videos and images, which may lack the rich semantic attributes necessary for fully understanding the learned concepts, especially when compared to using video and corresponding sampled frame images together. To this end, we propose CrossVideoMAE an end-to-end self-supervised cross-modal contrastive learning MAE that effectively learns both video-level and frame-level rich spatiotemporal representations and semantic attributes. Our method integrates mutual spatiotemporal information from videos with spatial information from sampled frames within a feature-invariant space, while encouraging invariance to augmentations within the video domain. This objective is achieved through jointly embedding features of visible tokens and combining feature correspondence within and across modalities, which is critical for acquiring rich, label-free guiding signals from both video and frame image modalities in a self-supervised manner. Extensive experiments demonstrate that our approach surpasses previous state-of-the-art methods and ablation studies validate the effectiveness of our approach.

  • 6 authors
·
Feb 8, 2025

Multimodal Model for Computational Pathology:Representation Learning and Image Compression

Whole slide imaging (WSI) has transformed digital pathology by enabling computational analysis of gigapixel histopathology images. Recent foundation model advances have accelerated progress in computational pathology, facilitating joint reasoning across pathology images, clinical reports, and structured data. Despite this progress, challenges remain: the extreme resolution of WSIs creates computational hurdles for visual learning; limited expert annotations constrain supervised approaches; integrating multimodal information while preserving biological interpretability remains difficult; and the opacity of modeling ultra-long visual sequences hinders clinical transparency. This review comprehensively surveys recent advances in multimodal computational pathology. We systematically analyze four research directions: (1) self-supervised representation learning and structure-aware token compression for WSIs; (2) multimodal data generation and augmentation; (3) parameter-efficient adaptation and reasoning-enhanced few-shot learning; and (4) multi-agent collaborative reasoning for trustworthy diagnosis. We specifically examine how token compression enables cross-scale modeling and how multi-agent mechanisms simulate a pathologist's "Chain of Thought" across magnifications to achieve uncertainty-aware evidence fusion. Finally, we discuss open challenges and argue that future progress depends on unified multimodal frameworks integrating high-resolution visual data with clinical and biomedical knowledge to support interpretable and safe AI-assisted diagnosis.

  • 3 authors
·
Mar 18

'Si'multaneous 'S'patial-'T'emporal Message Passing for Dynamic Graph Representation Learning

Dynamic graph neural networks (DGNNs) that operate on snapshot sequences typically fall into one of two categories. Temporal-first approaches build per-node temporal embeddings and only afterwards perform spatial aggregation, whereas Spatial-first approaches invert this order, feeding the output of a graph convolution into a downstream temporal module. In either case, the rigid sequencing forces the second stage to consume an already-compressed summary produced by the first, ruling out joint reasoning over topology and evolution; concretely, the message-passing operator never gets to weight a neighbor's contribution by that neighbor's past trajectory. This paper introduces SiST-GNN (Simultaneous Spatial-Temporal GNN), which fuses the two signals inside a single message-passing operation rather than chaining them. Concretely, at each snapshot we maintain a recurrent hidden state per node that summarises its history, pair it with the node's current feature vector, and treat the pair as two nodes joined by a cross-time edge; running a standard graph convolution on this temporally augmented graph yields the updated representation. Our empirical study spans nine public baselines and fourteen model-dataset combinations, covering both fixed-split and live-update evaluation regimes. Across every public benchmark, SiST-GNN sets a new state of the art in link prediction task over the strongest prior method by 109--277% in the fixed-split setting and by 68--194% in the live-update setting. We additionally construct three dynamic node-classification tasks by discretising the underlying continuous-time event streams; here SiST-GNN beats the leading discrete-time (DTDG) baseline by 7--22% and matches continuous-time (CTDG) methods that consume the raw events directly.

  • 2 authors
·
May 24

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

Multi-Scale Contrastive Attention for Light-Curve Representation Learning

Current and next-generation time-domain surveys demand automated techniques capable of analyzing millions of light curves, observed in multiple filters, without relying on exhaustive human annotation or scarce spectroscopic follow-up. We present Astra-CLR, an attention-based, self-supervised contrastive learning framework which enables the representation of raw light curves into a highly discriminative latent space. Pre-trained on sim2.1 million unlabeled Zwicky Transient Facility light curves, the framework utilizes partial light curves as input sequences to generate asymmetric, multi-scale temporal views (explicitly contrasting shorter sequences against longer ones) forcing the network to learn a robust "local-to-global" mapping strategy. Furthermore, we introduce a novel multi-view late fusion architecture that extends the model to efficiently handle longer light curves with larger numbers of observations while accommodating the different cadences associated with each filter. The discriminatory power of the resulting representations was evaluated by using them as input to a Multinomial Logistic Regression classifier, trained to identify 12 broad classes of variability. Final accuracy achieved sim 0.70. When applying a label-efficient, partial top-layer fine-tuning strategy, the topological structure of the latent space is significantly refined, boosting results to sim0.77. Astra-CLR is the first publicly available multi-filter time-series Transformer trained exclusively on real ZTF light curves. Results presented here demonstrate that it provides an ideal foundation for the development of end-to-end pipelines, taking into account color evolution and respecting the inhomogeneous nature of astronomical light curve sampling.

  • 3 authors
·
Jun 29

GPCR-Filter: a deep learning framework for efficient and precise GPCR modulator discovery

G protein-coupled receptors (GPCRs) govern diverse physiological processes and are central to modern pharmacology. Yet discovering GPCR modulators remains challenging because receptor activation often arises from complex allosteric effects rather than direct binding affinity, and conventional assays are slow, costly, and not optimized for capturing these dynamics. Here we present GPCR-Filter, a deep learning framework specifically developed for GPCR modulator discovery. We assembled a high-quality dataset of over 90,000 experimentally validated GPCR-ligand pairs, providing a robust foundation for training and evaluation. GPCR-Filter integrates the ESM-3 protein language model for high-fidelity GPCR sequence representations with graph neural networks that encode ligand structures, coupled through an attention-based fusion mechanism that learns receptor-ligand functional relationships. Across multiple evaluation settings, GPCR-Filter consistently outperforms state-of-the-art compound-protein interaction models and exhibits strong generalization to unseen receptors and ligands. Notably, the model successfully identified micromolar-level agonists of the 5-HT1A receptor with distinct chemical frameworks. These results establish GPCR-Filter as a scalable and effective computational approach for GPCR modulator discovery, advancing AI-assisted drug development for complex signaling systems.

MePo: Meta Post-Refinement for Rehearsal-Free General Continual Learning

To cope with uncertain changes of the external world, intelligent systems must continually learn from complex, evolving environments and respond in real time. This ability, collectively known as general continual learning (GCL), encapsulates practical challenges such as online datastreams and blurry task boundaries. Although leveraging pretrained models (PTMs) has greatly advanced conventional continual learning (CL), these methods remain limited in reconciling the diverse and temporally mixed information along a single pass, resulting in sub-optimal GCL performance. Inspired by meta-plasticity and reconstructive memory in neuroscience, we introduce here an innovative approach named Meta Post-Refinement (MePo) for PTMs-based GCL. This approach constructs pseudo task sequences from pretraining data and develops a bi-level meta-learning paradigm to refine the pretrained backbone, which serves as a prolonged pretraining phase but greatly facilitates rapid adaptation of representation learning to downstream GCL tasks. MePo further initializes a meta covariance matrix as the reference geometry of pretrained representation space, enabling GCL to exploit second-order statistics for robust output alignment. MePo serves as a plug-in strategy that achieves significant performance gains across a variety of GCL benchmarks and pretrained checkpoints in a rehearsal-free manner (e.g., 15.10\%, 13.36\%, and 12.56\% on CIFAR-100, ImageNet-R, and CUB-200 under Sup-21/1K). Our source code is available at https://github.com/SunGL001/MePo{MePo}

  • 8 authors
·
May 10