Shuigeng Zhou

CV
h-index58
80papers
3,006citations
Novelty50%
AI Score61

80 Papers

94.1IRJun 2
MARS: Multi-rate Aggregation of Recency Signals for Sequential Recommendation across Sparse and Dense Regimes

Zhenyu Yu, Shuigeng Zhou

Sequential recommenders weight historical interactions either through positional self-attention as in Transformers or through a single implicit decay schedule as in State-Space Models. Neither makes the multi-scale temporal structure of real user behaviour explicit. We propose MARS, an encoder-agnostic aggregation operator that consumes real timestamps and produces K summaries emphasising distinct recency scales, fused by a context-adaptive gate. MARS adds at most 6% parameters and runs in $\mathcal{O}(LdK)$ time. MARS adapts to data density by automatically selecting between two encoder instantiations: MARS-T (Transformer) for sparse data and MARS-M (Mamba) for dense data, based on the average sequence length of the training set. On five public benchmarks against ten Transformer- and Mamba-based baselines under a unified RecBole protocol, MARS attains the best HR@10 on every benchmark, with mean relative gain +19.7% over the strongest content-only Transformer baseline on sparse data (reaching +36.2% on Games) and +3.2% HR@10 / +0.9% NDCG over SIGMA on dense ML-1M at 42% fewer MFLOPs, occupying the accuracy-efficiency Pareto frontier across the data-density spectrum. A backbone-only ablation isolates the marginal contribution of MARS at +4% to +19% HR@10 on sparse data and motivates the dual-instantiation design. The code is included in the supplementary material.

73.8CRJun 2
Ghost: Plausible Yet Unlearnable Trajectories via On-Manifold Substitution for Next-POI Privacy

Zhenyu Yu, Jihong Guan, Shuigeng Zhou

A publisher who releases check-in trajectories inadvertently publishes a strong predictor of every user's future locations. We address this risk by generating unlearnable trajectories, perturbed sequences that yield victim models with degraded next-Point-of-Interest (next-POI) accuracy on clean test inputs. Direct ports of image-domain unlearnable examples fail on two counts. The published data must remain geographically and semantically plausible, and the perturbation must resist purification adversaries that exploit the structure of randomized defences. We propose Ghost, a manifold-aligned framework whose perturbations look like plausible human check-in sequences yet leave no learnable signal behind. Ghost steers each substitution onto the real-trajectory manifold through a frozen trajectory language model, so a denoising-bridge adversary has nothing to invert and a context-free frequency-table adversary recovers a near-uniform distribution. Across two standard benchmarks, and four attacker postures, Ghost achieves protection-gap competitive with the strongest deterministic baseline (PGD) while attaining the lowest restored accuracy under the bigram adaptive purification adversary on both datasets, and lies within one per-cell standard deviation of PGD on the protection-versus-purification-resistance plane. Ablations confirm the manifold prior subsumes the entropy-floor knob of prior randomized defences, with the frequency-table adversary's survival gap remaining within 0.04 even when twenty percent of the pairs are leaked.

94.1CVMay 29
SteerFace: Debiasing Synthetic Face Generation via Adaptive Residue Perturbation

Yuxi Mi, Qiuyang Yuan, Jianqing Xu et al.

The shortage of legally compliant data for face recognition training has sparked growing interest in using synthetic data as an alternative. While recent diffusion-based methods enable the generation of photorealistic face images with strong identity adherence and data diversity, their downstream recognition performance still exhibits a significant synthetic-real gap. This paper identifies visual tendency as a previously underexplored limitation, whereby synthetic data exhibit an unrealistic prevalence of visual attributes and thus deviate from the real-data distribution. Visual tendency can be attributed to the generator's conditioning on identity embeddings, through which co-occurring residual visual cues are unintentionally absorbed into learned identity semantics. To discourage the generator from exploiting such visual cues, this paper proposes SteerFace, a simple and efficient training framework that perturbs identity embeddings by steering them toward random orthogonal directions on the embedding hypersphere. The perturbation serves as an identity-preserving regularizer that penalizes the generator's reliance on non-identity components, as supported by theoretical analysis. This paper further introduces an adaptive strategy that learns perturbation strengths with both sample-wise preference and favorable overall statistics. Extensive experiments show that SteerFace effectively mitigates visual tendency, outperforms prior methods in downstream face recognition, and generalizes well across different training datasets and generation pipelines.

CVJul 15, 2022Code
DuetFace: Collaborative Privacy-Preserving Face Recognition via Channel Splitting in the Frequency Domain

Yuxi Mi, Yuge Huang, Jiazhen Ji et al.

With the wide application of face recognition systems, there is rising concern that original face images could be exposed to malicious intents and consequently cause personal privacy breaches. This paper presents DuetFace, a novel privacy-preserving face recognition method that employs collaborative inference in the frequency domain. Starting from a counterintuitive discovery that face recognition can achieve surprisingly good performance with only visually indistinguishable high-frequency channels, this method designs a credible split of frequency channels by their cruciality for visualization and operates the server-side model on non-crucial channels. However, the model degrades in its attention to facial features due to the missing visual information. To compensate, the method introduces a plug-in interactive block to allow attention transfer from the client-side by producing a feature mask. The mask is further refined by deriving and overlaying a facial region of interest (ROI). Extensive experiments on multiple datasets validate the effectiveness of the proposed method in protecting face images from undesired visual inspection, reconstruction, and identification while maintaining high task availability and performance. Results show that the proposed method achieves a comparable recognition accuracy and computation cost to the unprotected ArcFace and outperforms the state-of-the-art privacy-preserving methods. The source code is available at https://github.com/Tencent/TFace/tree/master/recognition/tasks/duetface.

51.9AIMay 31Code
FlowTime: Towards Continuous Generative Watch Time Prediction via Flow-based Personalized Priors

Hongxu Ma, Han Zhou, Chenghou Jin et al.

Watch time has emerged as a pivotal metric for optimizing deep user engagement in short-video recommender systems. However, current methods of watch time prediction (WTP) suffer from inherent paradigm-specific limitations. Direct Regression faces mean-collapse due to unimodal Gaussian assumptions, while Ordinal Regression is hampered by quantization errors from rigid discretization. Similarly, Discrete Generative Regression struggles with high inference latency and heuristic vocabulary design. Beyond these specific flaws, a shared deficiency is the inability to capture the intrinsic multimodality and heterogeneity of User-Item Interaction Patterns. To address these challenges, we first revisit the WTP problem from a causal perspective and identify these user-specific patterns as structural confounders that modulate watch time outcomes, where identical interests manifest as distinct watch time outcomes conditioned on diverse user habits. Then, we formally propose a new (or the fourth) paradigm -- Continuous Generative Regression, and introduce FlowTime, a novel method utilizing a One-step Generative Variational Autoencoder. FlowTime effectively circumvents the latency of iterative denoising while maintaining the expressivity of continuous latent spaces. Furthermore, we design a Flow-based Personalized Prior that leverages NFs to warp a standard Gaussian prior into a complex, history-conditioned manifold, thereby enabling the adaptive modeling of multimodal interaction patterns. Finally, we build TimeRec, the first open-source WTP Library, alongside a novel personalization metric to establish a rigorous benchmarking standard. Extensive offline experiments and online A/B tests demonstrate FlowTime's significant superiority over SOTA methods.

CVAug 21, 2023Code
Privacy-Preserving Face Recognition Using Random Frequency Components

Yuxi Mi, Yuge Huang, Jiazhen Ji et al.

The ubiquitous use of face recognition has sparked increasing privacy concerns, as unauthorized access to sensitive face images could compromise the information of individuals. This paper presents an in-depth study of the privacy protection of face images' visual information and against recovery. Drawing on the perceptual disparity between humans and models, we propose to conceal visual information by pruning human-perceivable low-frequency components. For impeding recovery, we first elucidate the seeming paradox between reducing model-exploitable information and retaining high recognition accuracy. Based on recent theoretical insights and our observation on model attention, we propose a solution to the dilemma, by advocating for the training and inference of recognition models on randomly selected frequency components. We distill our findings into a novel privacy-preserving face recognition method, PartialFace. Extensive experiments demonstrate that PartialFace effectively balances privacy protection goals and recognition accuracy. Code is available at: https://github.com/Tencent/TFace.

46.5IRJun 2
When Does Latent Reasoning Help? MeRa: Metric-Space Bias for Spatial Prediction

Zhenyu Yu, Shuigeng Zhou

Latent reasoning has improved sequential recommendation by iteratively refining representations before prediction, but does it help spatial prediction? We find that the answer depends on whether reasoning is grounded in the underlying metric space. Without such grounding, latent reasoning degrades spatial prediction below the unmodified baseline, while a learned metric-space bias derived from pairwise distances produces consistent gains. We formalize this finding through MeRa (Metric-space Reasoning), a lightweight backbone-agnostic module that can be inserted between any sequence encoder and its prediction heads. On the GETNext backbone, the gap between reasoning without and with metric-space bias reaches 4.5% NDCG@10. MeRa achieves the best NDCG@10 on all three spatial prediction benchmarks among the compared methods, surpassing recent approaches such as GeoMamba and HMST. We prove that metric-space-constrained reasoning converges to a unique fixed point and that N-step reasoning is strictly more expressive than (N-1)-step reasoning. A controlled experiment on CLEVR with Euclidean distance confirms that the finding generalizes beyond geographic coordinates. The code is included in the supplementary material.

CLApr 24, 2022Code
EPiDA: An Easy Plug-in Data Augmentation Framework for High Performance Text Classification

Minyi Zhao, Lu Zhang, Yi Xu et al.

Recent works have empirically shown the effectiveness of data augmentation (DA) in NLP tasks, especially for those suffering from data scarcity. Intuitively, given the size of generated data, their diversity and quality are crucial to the performance of targeted tasks. However, to the best of our knowledge, most existing methods consider only either the diversity or the quality of augmented data, thus cannot fully mine the potential of DA for NLP. In this paper, we present an easy and plug-in data augmentation framework EPiDA to support effective text classification. EPiDA employs two mechanisms: relative entropy maximization (REM) and conditional entropy minimization (CEM) to control data generation, where REM is designed to enhance the diversity of augmented data while CEM is exploited to ensure their semantic consistency. EPiDA can support efficient and continuous data generation for effective classifier training. Extensive experiments show that EPiDA outperforms existing SOTA methods in most cases, though not using any agent networks or pre-trained generation networks, and it works well with various DA algorithms and classification models. Code is available at https://github.com/zhaominyiz/EPiDA.

CVApr 29, 2022Code
C3-STISR: Scene Text Image Super-resolution with Triple Clues

Minyi Zhao, Miao Wang, Fan Bai et al.

Scene text image super-resolution (STISR) has been regarded as an important pre-processing task for text recognition from low-resolution scene text images. Most recent approaches use the recognizer's feedback as clues to guide super-resolution. However, directly using recognition clue has two problems: 1) Compatibility. It is in the form of probability distribution, has an obvious modal gap with STISR - a pixel-level task; 2) Inaccuracy. it usually contains wrong information, thus will mislead the main task and degrade super-resolution performance. In this paper, we present a novel method C3-STISR that jointly exploits the recognizer's feedback, visual and linguistical information as clues to guide super-resolution. Here, visual clue is from the images of texts predicted by the recognizer, which is informative and more compatible with the STISR task; while linguistical clue is generated by a pre-trained character-level language model, which is able to correct the predicted texts. We design effective extraction and fusion mechanisms for the triple cross-modal clues to generate a comprehensive and unified guidance for super-resolution. Extensive experiments on TextZoom show that C3-STISR outperforms the SOTA methods in fidelity and recognition performance. Code is available in https://github.com/zhaominyiz/C3-STISR.

84.5AIMay 27Code
TRACER: Turn-level Regret Matching with Inner Reinforcement Credit for Cooperative Multi-LLM Reasoning

Chusen Li, Zhou Liu, Shuigeng Zhou et al.

Large language models increasingly rely on either reinforcement learning or multi-agent prompting to improve reasoning, yet these two paradigms remain difficult to combine. Directly applying single-agent reinforcement learning to multi-turn multi-agent systems faces following dilemmas: i) Sparse rewards, role-level free-riding and excessive training overhead. ii) Agents only imitate to collaborate. iii) Fixed collaboration protocol falls into oscillating local optimum. We introduce TRACER, a turn-level reinforcement framework for cooperative multi-LLM reasoning. TRACER separates collaborative decision making into a controller-regret layer, where controllers learn whether the agents should speak or skip the current round through regret matching, and a generation-credit layer, which optimizes proposer and reviewer utterances with role-specific GSPO rewards. This design i) assigns credit at the level of both action modes and generated utterances, thus avoiding free-riding and sparse rewards. We only expand the choices made by the controllers, thus greatly reducing computational cost of training. Moreover, ii) agents acquire collaborative capability as they learn when to utter and what to speak. Finally, iii) by designing binary actions ingeniously, we extend classical game theory established for finite action spaces to deep learning, thus achieving mathematically rigorous convergence. We train all local RL-style methods on the GSM8K training split and evaluate on held-out GSM8K, MATH500, and GPQA-Diamond to measure in-domain accuracy, cross-benchmark generalization, inference cost, and correction-preservation behavior. The resulting framework provides a compact and reproducible testbed for studying learned collaboration policies beyond fixed debate, voting, or aggregation protocols. Code is available at https://github.com/Shark-Forest/TRACER.

68.3CLJun 3
Caliper: Probing Lexical Anchors versus Causal Structure in LLMs

Zhenyu Yu, Shuigeng Zhou

Large language models reach 50 to 70% accuracy on causal reasoning benchmarks such as CLadder, but it is unclear whether this reflects structural reasoning or lexical pattern matching. We introduce Caliper, a controlled perturbation that replaces semantic variable names with placeholder tokens while preserving the causal graph and probabilistic specification of each question. Across nine instruction-tuned LLMs from 3.8B to 671B and three causal reasoning benchmarks, lexical anonymization yields robust accuracy drops of +7.6, +27.0, and +11.1 pp on a local 3.8B-14B set, rising to +29.6 and +18.0 pp on CRASS and e-CARE across nine frontier models spanning the 2024-2026 generations. Of 40 engaged model-by-benchmark cells, 39 show a positive gap, and the gap collapses by 17x on CLadder's pseudoword subset. Structured scaffolding and few-shot in-context learning each narrow the gap, but mainly by lowering P0 accuracy on smaller models rather than recovering P1. Current instruction-tuned LLMs, evaluated zero-shot, show little evidence of structural causal reasoning once lexical anchors are removed.

CVSep 22, 2024Code
Effectively Enhancing Vision Language Large Models by Prompt Augmentation and Caption Utilization

Minyi Zhao, Jie Wang, Zhaoyang Li et al.

Recent studies have shown that Vision Language Large Models (VLLMs) may output content not relevant to the input images. This problem, called the hallucination phenomenon, undoubtedly degrades VLLM performance. Therefore, various anti-hallucination techniques have been proposed to make model output more reasonable and accurate. Despite their successes, from extensive tests we found that augmenting the prompt (e.g. word appending, rewriting, and spell error etc.) may change model output and make the output hallucinate again. To cure this drawback, we propose a new instruct-tuning framework called Prompt Augmentation and Caption Utilization (PACU) to boost VLLM's generation ability under the augmented prompt scenario. Concretely, on the one hand, PACU exploits existing LLMs to augment and evaluate diverse prompts automatically. The resulting high-quality prompts are utilized to enhance VLLM's ability to process different prompts. On the other hand, PACU exploits image captions to jointly work with image features as well as the prompts for response generation. When the visual feature is inaccurate, LLM can capture useful information from the image captions for response generation. Extensive experiments on hallucination evaluation and prompt-augmented datasets demonstrate that our PACU method can work well with existing schemes to effectively boost VLLM model performance. Code is available in https://github.com/zhaominyiz/PACU.

CVMar 27, 2022
Recent Few-Shot Object Detection Algorithms: A Survey with Performance Comparison

Tianying Liu, Lu Zhang, Yang Wang et al.

The generic object detection (GOD) task has been successfully tackled by recent deep neural networks, trained by an avalanche of annotated training samples from some common classes. However, it is still non-trivial to generalize these object detectors to the novel long-tailed object classes, which have only few labeled training samples. To this end, the Few-Shot Object Detection (FSOD) has been topical recently, as it mimics the humans' ability of learning to learn, and intelligently transfers the learned generic object knowledge from the common heavy-tailed, to the novel long-tailed object classes. Especially, the research in this emerging field has been flourishing in recent years with various benchmarks, backbones, and methodologies proposed. To review these FSOD works, there are several insightful FSOD survey articles [58, 59, 74, 78] that systematically study and compare them as the groups of fine-tuning/transfer learning, and meta-learning methods. In contrast, we review the existing FSOD algorithms from a new perspective under a new taxonomy based on their contributions, i.e., data-oriented, model-oriented, and algorithm-oriented. Thus, a comprehensive survey with performance comparison is conducted on recent achievements of FSOD. Furthermore, we also analyze the technical challenges, the merits and demerits of these methods, and envision the future directions of FSOD. Specifically, we give an overview of FSOD, including the problem definition, common datasets, and evaluation protocols. The taxonomy is then proposed that groups FSOD methods into three types. Following this taxonomy, we provide a systematic review of the advances in FSOD. Finally, further discussions on performance, challenges, and future directions are presented.

75.3AIApr 20Code
One Pass for All: A Discrete Diffusion Model for Knowledge Graph Triple Set Prediction

Jihong Guan, Jiaqi Wang, Wengen Li et al.

Knowledge Graphs (KGs) are composed of triples, and the goal of Knowledge Graph Completion (KGC) is to infer the missing factual triples. Traditional KGC tasks predict missing elements in a triple given one or two of its elements. As a more realistic task, the Triple Set Prediction (TSP) task aims to infer the set of missing triples conditioned only on the observed knowledge graph, without assuming any partial information about the missing triples. Existing TSP methods predict the set of missing triples in a triple-by-triple manner, falling short in capturing the dependencies among the predicted triples to ensure consistency. To address this issue, we propose a novel discrete diffusion model termed DiffTSP that treats TSP as a generative task. DiffTSP progressively adds noise to the KG through a discrete diffusion process, achieved by masking relational edges. The reverse process then gradually recovers the complete KG conditioned on the incomplete graph. To this end, we design a structure-aware denoising network that integrates a relational context encoder with a relational graph diffusion transformer for knowledge graph generation. DiffTSP can generate the complete set of triples in a one-pass manner while ensuring the dependencies among the predicted triples. Our approach achieves state-of-the-art performance on three public datasets. Code: https://github.com/ADMIS-TONGJI/DiffTSP.

BMFeb 15, 2023
Activity Cliff Prediction: Dataset and Benchmark

Ziqiao Zhang, Bangyi Zhao, Ailin Xie et al.

Activity cliffs (ACs), which are generally defined as pairs of structurally similar molecules that are active against the same bio-target but significantly different in the binding potency, are of great importance to drug discovery. Up to date, the AC prediction problem, i.e., to predict whether a pair of molecules exhibit the AC relationship, has not yet been fully explored. In this paper, we first introduce ACNet, a large-scale dataset for AC prediction. ACNet curates over 400K Matched Molecular Pairs (MMPs) against 190 targets, including over 20K MMP-cliffs and 380K non-AC MMPs, and provides five subsets for model development and evaluation. Then, we propose a baseline framework to benchmark the predictive performance of molecular representations encoded by deep neural networks for AC prediction, and 16 models are evaluated in experiments. Our experimental results show that deep learning models can achieve good performance when the models are trained on tasks with adequate amount of data, while the imbalanced, low-data and out-of-distribution features of the ACNet dataset still make it challenging for deep neural networks to cope with. In addition, the traditional ECFP method shows a natural advantage on MMP-cliff prediction, and outperforms other deep learning models on most of the data subsets. To the best of our knowledge, our work constructs the first large-scale dataset for AC prediction, which may stimulate the study of AC prediction models and prompt further breakthroughs in AI-aided drug discovery. The codes and dataset can be accessed by https://drugai.github.io/ACNet/.

CVOct 8, 2022
Hierarchical Few-Shot Object Detection: Problem, Benchmark and Method

Lu Zhang, Yang Wang, Jiaogen Zhou et al.

Few-shot object detection (FSOD) is to detect objects with a few examples. However, existing FSOD methods do not consider hierarchical fine-grained category structures of objects that exist widely in real life. For example, animals are taxonomically classified into orders, families, genera and species etc. In this paper, we propose and solve a new problem called hierarchical few-shot object detection (Hi-FSOD), which aims to detect objects with hierarchical categories in the FSOD paradigm. To this end, on the one hand, we build the first large-scale and high-quality Hi-FSOD benchmark dataset HiFSOD-Bird, which contains 176,350 wild-bird images falling to 1,432 categories. All the categories are organized into a 4-level taxonomy, consisting of 32 orders, 132 families, 572 genera and 1,432 species. On the other hand, we propose the first Hi-FSOD method HiCLPL, where a hierarchical contrastive learning approach is developed to constrain the feature space so that the feature distribution of objects is consistent with the hierarchical taxonomy and the model's generalization power is strengthened. Meanwhile, a probabilistic loss is designed to enable the child nodes to correct the classification errors of their parent nodes in the taxonomy. Extensive experiments on the benchmark dataset HiFSOD-Bird show that our method HiCLPL outperforms the existing FSOD methods.

BMMar 13, 2023
Molecular Property Prediction by Semantic-invariant Contrastive Learning

Ziqiao Zhang, Ailin Xie, Jihong Guan et al.

Contrastive learning have been widely used as pretext tasks for self-supervised pre-trained molecular representation learning models in AI-aided drug design and discovery. However, exiting methods that generate molecular views by noise-adding operations for contrastive learning may face the semantic inconsistency problem, which leads to false positive pairs and consequently poor prediction performance. To address this problem, in this paper we first propose a semantic-invariant view generation method by properly breaking molecular graphs into fragment pairs. Then, we develop a Fragment-based Semantic-Invariant Contrastive Learning (FraSICL) model based on this view generation method for molecular property prediction. The FraSICL model consists of two branches to generate representations of views for contrastive learning, meanwhile a multi-view fusion and an auxiliary similarity loss are introduced to make better use of the information contained in different fragment-pair views. Extensive experiments on various benchmark datasets show that with the least number of pre-training samples, FraSICL can achieve state-of-the-art performance, compared with major existing counterpart models.

CVAug 18, 2023
Meta-ZSDETR: Zero-shot DETR with Meta-learning

Lu Zhang, Chenbo Zhang, Jiajia Zhao et al.

Zero-shot object detection aims to localize and recognize objects of unseen classes. Most of existing works face two problems: the low recall of RPN in unseen classes and the confusion of unseen classes with background. In this paper, we present the first method that combines DETR and meta-learning to perform zero-shot object detection, named Meta-ZSDETR, where model training is formalized as an individual episode based meta-learning task. Different from Faster R-CNN based methods that firstly generate class-agnostic proposals, and then classify them with visual-semantic alignment module, Meta-ZSDETR directly predict class-specific boxes with class-specific queries and further filter them with the predicted accuracy from classification head. The model is optimized with meta-contrastive learning, which contains a regression head to generate the coordinates of class-specific boxes, a classification head to predict the accuracy of generated boxes, and a contrastive head that utilizes the proposed contrastive-reconstruction loss to further separate different classes in visual space. We conduct extensive experiments on two benchmark datasets MS COCO and PASCAL VOC. Experimental results show that our method outperforms the existing ZSD methods by a large margin.

LGJul 20, 2023
Spatial-Temporal Data Mining for Ocean Science: Data, Methodologies, and Opportunities

Hanchen Yang, Wengen Li, Shuyu Wang et al.

With the rapid amassing of spatial-temporal (ST) ocean data, many spatial-temporal data mining (STDM) studies have been conducted to address various oceanic issues, including climate forecasting and disaster warning. Compared with typical ST data (e.g., traffic data), ST ocean data is more complicated but with unique characteristics, e.g., diverse regionality and high sparsity. These characteristics make it difficult to design and train STDM models on ST ocean data. To the best of our knowledge, a comprehensive survey of existing studies remains missing in the literature, which hinders not only computer scientists from identifying the research issues in ocean data mining but also ocean scientists to apply advanced STDM techniques. In this paper, we provide a comprehensive survey of existing STDM studies for ocean science. Concretely, we first review the widely-used ST ocean datasets and highlight their unique characteristics. Then, typical ST ocean data quality enhancement techniques are explored. Next, we classify existing STDM studies in ocean science into four types of tasks, i.e., prediction, event detection, pattern mining, and anomaly detection, and elaborate on the techniques for these tasks. Finally, promising research opportunities are discussed. This survey can help scientists from both computer science and ocean science better understand the fundamental concepts, key techniques, and open challenges of STDM for ocean science.

BMAug 21, 2022
Can Pre-trained Models Really Learn Better Molecular Representations for AI-aided Drug Discovery?

Ziqiao Zhang, Yatao Bian, Ailin Xie et al.

Self-supervised pre-training is gaining increasingly more popularity in AI-aided drug discovery, leading to more and more pre-trained models with the promise that they can extract better feature representations for molecules. Yet, the quality of learned representations have not been fully explored. In this work, inspired by the two phenomena of Activity Cliffs (ACs) and Scaffold Hopping (SH) in traditional Quantitative Structure-Activity Relationship (QSAR) analysis, we propose a method named Representation-Property Relationship Analysis (RePRA) to evaluate the quality of the representations extracted by the pre-trained model and visualize the relationship between the representations and properties. The concepts of ACs and SH are generalized from the structure-activity context to the representation-property context, and the underlying principles of RePRA are analyzed theoretically. Two scores are designed to measure the generalized ACs and SH detected by RePRA, and therefore the quality of representations can be evaluated. In experiments, representations of molecules from 10 target tasks generated by 7 pre-trained models are analyzed. The results indicate that the state-of-the-art pre-trained models can overcome some shortcomings of canonical Extended-Connectivity FingerPrints (ECFP), while the correlation between the basis of the representation space and specific molecular substructures are not explicit. Thus, some representations could be even worse than the canonical fingerprints. Our method enables researchers to evaluate the quality of molecular representations generated by their proposed self-supervised pre-trained models. And our findings can guide the community to develop better pre-training techniques to regularize the occurrence of ACs and SH.

89.2CLMar 26Code
Is Compression Really Linear with Code Intelligence?

Shijie Xuyang, Xianzhen Luo, Zheng Chu et al.

Understanding the relationship between data compression and the capabilities of Large Language Models (LLMs) is crucial, especially in specialized domains like code intelligence. Prior work posited a linear relationship between compression and general intelligence. However, it overlooked the multifaceted nature of code that encompasses diverse programming languages and tasks, and struggled with fair evaluation of modern Code LLMs. We address this by evaluating a diverse array of open-source Code LLMs on comprehensive multi-language, multi-task code benchmarks. To address the challenge of efficient and fair evaluation of pre-trained LLMs' code intelligence, we introduce \textit{Format Annealing}, a lightweight, transparent training methodology designed to assess the intrinsic capabilities of these pre-trained models equitably. Compression efficacy, measured as bits-per-character (BPC), is determined using a novel, large-scale, and previously unseen code validation set derived from GitHub. Our empirical results reveal a fundamental logarithmic relationship between measured code intelligence and BPC. This finding refines prior hypotheses of linearity, which we suggest are likely observations of the logarithmic curve's tail under specific, limited conditions. Our work provides a more nuanced understanding of compression's role in developing code intelligence and contributes a robust evaluation framework in the code domain.

BMOct 5, 2023
Diffusing on Two Levels and Optimizing for Multiple Properties: A Novel Approach to Generating Molecules with Desirable Properties

Siyuan Guo, Jihong Guan, Shuigeng Zhou

In the past decade, Artificial Intelligence driven drug design and discovery has been a hot research topic, where an important branch is molecule generation by generative models, from GAN-based models and VAE-based models to the latest diffusion-based models. However, most existing models pursue only the basic properties like validity and uniqueness of the generated molecules, a few go further to explicitly optimize one single important molecular property (e.g. QED or PlogP), which makes most generated molecules little usefulness in practice. In this paper, we present a novel approach to generating molecules with desirable properties, which expands the diffusion model framework with multiple innovative designs. The novelty is two-fold. On the one hand, considering that the structures of molecules are complex and diverse, and molecular properties are usually determined by some substructures (e.g. pharmacophores), we propose to perform diffusion on two structural levels: molecules and molecular fragments respectively, with which a mixed Gaussian distribution is obtained for the reverse diffusion process. To get desirable molecular fragments, we develop a novel electronic effect based fragmentation method. On the other hand, we introduce two ways to explicitly optimize multiple molecular properties under the diffusion model framework. First, as potential drug molecules must be chemically valid, we optimize molecular validity by an energy-guidance function. Second, since potential drug molecules should be desirable in various properties, we employ a multi-objective mechanism to optimize multiple molecular properties simultaneously. Extensive experiments with two benchmark datasets QM9 and ZINC250k show that the molecules generated by our proposed method have better validity, uniqueness, novelty, Fréchet ChemNet Distance (FCD), QED, and PlogP than those generated by current SOTA models.

CRJul 26, 2023
Flexible Differentially Private Vertical Federated Learning with Adaptive Feature Embeddings

Yuxi Mi, Hongquan Liu, Yewei Xia et al.

The emergence of vertical federated learning (VFL) has stimulated concerns about the imperfection in privacy protection, as shared feature embeddings may reveal sensitive information under privacy attacks. This paper studies the delicate equilibrium between data privacy and task utility goals of VFL under differential privacy (DP). To address the generality issue of prior arts, this paper advocates a flexible and generic approach that decouples the two goals and addresses them successively. Specifically, we initially derive a rigorous privacy guarantee by applying norm clipping on shared feature embeddings, which is applicable across various datasets and models. Subsequently, we demonstrate that task utility can be optimized via adaptive adjustments on the scale and distribution of feature embeddings in an accuracy-appreciative way, without compromising established DP mechanisms. We concretize our observation into the proposed VFL-AFE framework, which exhibits effectiveness against privacy attacks and the capacity to retain favorable task utility, as substantiated by extensive experiments.

CVJul 31, 2023
HiREN: Towards Higher Supervision Quality for Better Scene Text Image Super-Resolution

Minyi Zhao, Yi Xu, Bingjia Li et al.

Scene text image super-resolution (STISR) is an important pre-processing technique for text recognition from low-resolution scene images. Nowadays, various methods have been proposed to extract text-specific information from high-resolution (HR) images to supervise STISR model training. However, due to uncontrollable factors (e.g. shooting equipment, focus, and environment) in manually photographing HR images, the quality of HR images cannot be guaranteed, which unavoidably impacts STISR performance. Observing the quality issue of HR images, in this paper we propose a novel idea to boost STISR by first enhancing the quality of HR images and then using the enhanced HR images as supervision to do STISR. Concretely, we develop a new STISR framework, called High-Resolution ENhancement (HiREN) that consists of two branches and a quality estimation module. The first branch is developed to recover the low-resolution (LR) images, and the other is an HR quality enhancement branch aiming at generating high-quality (HQ) text images based on the HR images to provide more accurate supervision to the LR images. As the degradation from HQ to HR may be diverse, and there is no pixel-level supervision for HQ image generation, we design a kernel-guided enhancement network to handle various degradation, and exploit the feedback from a recognizer and text-level annotations as weak supervision signal to train the HR enhancement branch. Then, a quality estimation module is employed to evaluate the qualities of HQ images, which are used to suppress the erroneous supervision information by weighting the loss of each image. Extensive experiments on TextZoom show that HiREN can work well with most existing STISR methods and significantly boost their performances.

IRFeb 10Code
CaST-POI: Candidate-Conditioned Spatiotemporal Modeling for Next POI Recommendation

Zhenyu Yu, Chunlei Meng, Yangchen Zeng et al.

Next Point-of-Interest (POI) recommendation plays a crucial role in location-based services by predicting users' future mobility patterns. Existing methods typically compute a single user representation from historical trajectories and use it to score all candidate POIs uniformly. However, this candidate-agnostic paradigm overlooks that the relevance of historical visits inherently depends on which candidate is being evaluated. In this paper, we propose CaST-POI, a candidate-conditioned spatiotemporal model for next POI recommendation. Our key insight is that the same user history should be interpreted differently when evaluating different candidate POIs. CaST-POI employs a candidate-conditioned sequence reader that uses candidates as queries to dynamically attend to user history. In addition, we introduce candidate-relative temporal and spatial biases to capture fine-grained mobility patterns based on the relationships between historical visits and each candidate POI. Extensive experiments on three benchmark datasets demonstrate that CaST-POI consistently outperforms state-of-the-art methods, yielding substantial improvements across multiple evaluation metrics, with particularly strong advantages under large candidate pools. Code is available at https://github.com/YuZhenyuLindy/CaST-POI.git.

IRFeb 10Code
ADS-POI: Agentic Spatiotemporal State Decomposition for Next Point-of-Interest Recommendation

Zhenyu Yu, Chunlei Meng, Yangchen Zeng et al.

Next point-of-interest (POI) recommendation requires modeling user mobility as a spatiotemporal sequence, where different behavioral factors may evolve at different temporal and spatial scales. Most existing methods compress a user's history into a single latent representation, which tends to entangle heterogeneous signals such as routine mobility patterns, short-term intent, and temporal regularities. This entanglement limits the flexibility of state evolution and reduces the model's ability to adapt to diverse decision contexts. We propose ADS-POI, a spatiotemporal state decomposition framework for next POI recommendation. ADS-POI represents a user with multiple parallel evolving latent sub-states, each governed by its own spatiotemporal transition dynamics. These sub-states are selectively aggregated through a context-conditioned mechanism to form the decision state used for prediction. This design enables different behavioral components to evolve at different rates while remaining coordinated under the current spatiotemporal context. Extensive experiments on three real-world benchmark datasets from Foursquare and Gowalla demonstrate that ADS-POI consistently outperforms strong state-of-the-art baselines under a full-ranking evaluation protocol. The results show that decomposing user behavior into multiple spatiotemporally aware states leads to more effective and robust next POI recommendation. Our code is available at https://github.com/YuZhenyuLindy/ADS-POI.git.

CVSep 22, 2024
One Model for Two Tasks: Cooperatively Recognizing and Recovering Low-Resolution Scene Text Images by Iterative Mutual Guidance

Minyi Zhao, Yang Wang, Jihong Guan et al.

Scene text recognition (STR) from high-resolution (HR) images has been significantly successful, however text reading on low-resolution (LR) images is still challenging due to insufficient visual information. Therefore, recently many scene text image super-resolution (STISR) models have been proposed to generate super-resolution (SR) images for the LR ones, then STR is done on the SR images, which thus boosts recognition performance. Nevertheless, these methods have two major weaknesses. On the one hand, STISR approaches may generate imperfect or even erroneous SR images, which mislead the subsequent recognition of STR models. On the other hand, as the STISR and STR models are jointly optimized, to pursue high recognition accuracy, the fidelity of SR images may be spoiled. As a result, neither the recognition performance nor the fidelity of STISR models are desirable. Then, can we achieve both high recognition performance and good fidelity? To this end, in this paper we propose a novel method called IMAGE (the abbreviation of Iterative MutuAl GuidancE) to effectively recognize and recover LR scene text images simultaneously. Concretely, IMAGE consists of a specialized STR model for recognition and a tailored STISR model to recover LR images, which are optimized separately. And we develop an iterative mutual guidance mechanism, with which the STR model provides high-level semantic information as clue to the STISR model for better super-resolution, meanwhile the STISR model offers essential low-level pixel clue to the STR model for more accurate recognition. Extensive experiments on two LR datasets demonstrate the superiority of our method over the existing works on both recognition performance and super-resolution fidelity.

CVJul 3, 2024
SlerpFace: Face Template Protection via Spherical Linear Interpolation

Zhizhou Zhong, Yuxi Mi, Yuge Huang et al.

Contemporary face recognition systems use feature templates extracted from face images to identify persons. To enhance privacy, face template protection techniques are widely employed to conceal sensitive identity and appearance information stored in the template. This paper identifies an emerging privacy attack form utilizing diffusion models that could nullify prior protection. The attack can synthesize high-quality, identity-preserving face images from templates, revealing persons' appearance. Based on studies of the diffusion model's generative capability, this paper proposes a defense by rotating templates to a noise-like distribution. This is achieved efficiently by spherically and linearly interpolating templates on their located hypersphere. This paper further proposes to group-wisely divide and drop out templates' feature dimensions, to enhance the irreversibility of rotated templates. The proposed techniques are concretized as a novel face template protection technique, SlerpFace. Extensive experiments show that SlerpFace provides satisfactory recognition accuracy and comprehensive protection against inversion and other attack forms, superior to prior arts.

CVJan 16
IDDR-NGP: Incorporating Detectors for Distractor Removal with Instant Neural Radiance Field

Xianliang Huang, Jiajie Gou, Shuhang Chen et al.

This paper presents the first unified distractor removal method, named IDDR-NGP, which directly operates on Instant-NPG. The method is able to remove a wide range of distractors in 3D scenes, such as snowflakes, confetti, defoliation and petals, whereas existing methods usually focus on a specific type of distractors. By incorporating implicit 3D representations with 2D detectors, we demonstrate that it is possible to efficiently restore 3D scenes from multiple corrupted images. We design the learned perceptual image patch similarity~( LPIPS) loss and the multi-view compensation loss (MVCL) to jointly optimize the rendering results of IDDR-NGP, which could aggregate information from multi-view corrupted images. All of them can be trained in an end-to-end manner to synthesize high-quality 3D scenes. To support the research on distractors removal in implicit 3D representations, we build a new benchmark dataset that consists of both synthetic and real-world distractors. To validate the effectiveness and robustness of IDDR-NGP, we provide a wide range of distractors with corresponding annotated labels added to both realistic and synthetic scenes. Extensive experimental results demonstrate the effectiveness and robustness of IDDR-NGP in removing multiple types of distractors. In addition, our approach achieves results comparable with the existing SOTA desnow methods and is capable of accurately removing both realistic and synthetic distractors.

LGJan 19, 2023
GIPA: A General Information Propagation Algorithm for Graph Learning

Houyi Li, Zhihong Chen, Zhao Li et al.

Graph neural networks (GNNs) have been widely used in graph-structured data computation, showing promising performance in various applications such as node classification, link prediction, and network recommendation. Existing works mainly focus on node-wise correlation when doing weighted aggregation of neighboring nodes based on attention, such as dot product by the dense vectors of two nodes. This may cause conflicting noise in nodes to be propagated when doing information propagation. To solve this problem, we propose a General Information Propagation Algorithm (GIPA in short), which exploits more fine-grained information fusion including bit-wise and feature-wise correlations based on edge features in their propagation. Specifically, the bit-wise correlation calculates the element-wise attention weight through a multi-layer perceptron (MLP) based on the dense representations of two nodes and their edge; The feature-wise correlation is based on the one-hot representations of node attribute features for feature selection. We evaluate the performance of GIPA on the Open Graph Benchmark proteins (OGBN-proteins for short) dataset and the Alipay dataset of Alibaba. Experimental results reveal that GIPA outperforms the state-of-the-art models in terms of prediction accuracy, e.g., GIPA achieves an average ROC-AUC of $0.8901\pm 0.0011$, which is better than that of all the existing methods listed in the OGBN-proteins leaderboard.

65.3CVMay 20
Disentangling Generation and Regression in Stochastic Interpolants for Controllable Image Restoration

Yi Liu, Jia Ma, Wengen Li et al.

Recent advances in Image Restoration (IR) have been largely driven by generative methods such as Diffusion Models and Flow Matching, which excel in synthesizing realistic textures while suffering from slow multi-step inference and compromised pixel fidelity. In contrast, classical regression-based IR methods excel precisely in these aspects, offering single-step efficiency and high pixel-level reconstruction fidelity. To bridge this gap, we propose DiSI, a unified framework that Disentangles the underlying Stochastic Interpolant process into independent generation and regression components. This decoupling endows DiSI with remarkable versatility, enabling a continuous and controllable transition from a pure regression process to a fully generative one. Technically, we instantiate this framework with two specific sampling trajectories, accompanied by a unified sampler for high-quality, few-step inference on arbitrary trajectories. Furthermore, we design a dual-branch U-Net style transformer network in pixel space, using a dedicated branch to enhance conditional guidance while ensuring high throughput. Extensive experiments demonstrate that DiSI efficiently achieves competitive results on various IR tasks, while uniquely offering the inference-time flexibility to control the distortion-perception trade-off within a single model.

64.4AIApr 25Code
AdaMamba: Adaptive Frequency-Gated Mamba for Long-Term Time Series Forecasting

Xudong Jiang, Mingshan Loo, Hanchen Yang et al.

Accurate long-term time series forecasting (LTSF) requires the capture of complex long-range dependencies and dynamic periodic patterns. Recent advances in frequency-domain analysis offer a global perspective for uncovering temporal characteristics. However, real-world time series often exhibit pronounced cross-domain heterogeneity where variables that appear synchronized in the time domain can differ substantially in the frequency domain. Existing frequency-based LTSF methods often rely on implicit assumptions of cross-domain homogeneity, which limits their ability to adapt to such intricate variability. To effectively integrate frequency-domain analysis with temporal dependency learning, we propose AdaMamba, a novel framework that endogenizes adaptive and context-aware frequency analysis within the Mamba state-space update process. Specifically, AdaMamba introduces an interactive patch encoding module to capture inter-variable interaction dynamics. Then, we develop an adaptive frequency-gated state-space module that generates input-dependent frequency bases, and generalizes the conventional temporal forgetting gate into a unified time-frequency forgetting gate. This allows dynamic calibration of state transitions based on learned frequency-domain importance, while preserving Mamba's capability in modeling long-range dependencies. Extensive experiments on seven public LTSF benchmarks and two domain-specific datasets demonstrate that AdaMamba consistently outperforms state-of-the-art methods in forecasting accu racy while maintaining competitive computational efficiency. The code of AdaMamba is available at https://github.com/XDjiang25/AdaMamba.

25.2CVMay 19
Can Vision Models Truly Forget? Mirage: Representation-Level Certification of Visual Unlearning

Zhenyu Yu, Yangchen Zeng, Chunlei Meng et al.

Machine unlearning in Vertical Federated Learning (VFL) has attracted growing interest, yet existing methods certify forgetting solely using output-level metrics. We challenge these claims by introducing Mirage, a representation-level auditing framework comprising four complementary diagnostics: Linear Probe Recovery (LPR), Centered Kernel Alignment (CKA), Feature Separability Scoring, and Layer-Wise Recovery Analysis. Through experiments across seven datasets and seven baseline methods following recent VFL unlearning protocols, Mirage reveals three key findings: (i) Forgetting gap: methods that pass output-level certification still retain substantial class structure in their representations, with LPR exceeding the retrained baseline by up to 15.4 points; CKA shows these models remain structurally closer to the original than to the retrained reference, while separability scores indicate persistent geometric discrimination. (ii) Unlearning trilemma: no existing method simultaneously achieves high utility, output-level forgetting, and representation-level forgetting. (iii) Class-sample asymmetry: class-level forgetting leaves strong representational traces (LPR up to 97%), whereas sample-level forgetting is indistinguishable from chance (LPR approx. 50%); layer-wise analysis further shows residual class information persists across network depths. These findings call for representation-aware evaluation standards in federated unlearning research.

LGMar 6, 2025Code
Predictable Scale: Part I, Step Law -- Optimal Hyperparameter Scaling Law in Large Language Model Pretraining

Houyi Li, Wenzhen Zheng, Qiufeng Wang et al.

The impressive capabilities of Large Language Models (LLMs) across diverse tasks are now well established, yet their effective deployment necessitates careful hyperparameter optimization. Although existing methods have explored the influence of hyperparameters on model performance, a principled and generalizable framework across model architectures and data recipes remains absent. In this study, we conduct an unprecedented empirical investigation training over 3,700 LLMs from scratch across 100 trillion tokens, consuming nearly one million NVIDIA H800 GPU hours to establish a universal Scaling Law for hyperparameter optimization in LLM Pre-training, called Step Law. We empirically observe that, under fixed model size ($N$) and dataset size ($D$), the hyperparameter landscape exhibits convexity with a broad optimum, substantially reducing the complexity of hyperparameter search. Building on this insight, we formally define and empirically validate the Step Law: The optimal learning rate follows a power-law relationship with $N$ and $D$, while the optimal batch size is primarily influenced by $D$ and remains largely invariant to $N$.Notably, our estimated optima deviate from the global best performance found via exhaustive search by merely 0.094\% on the test set. To our best known, Step Law is the first that unifies different model shapes and structures, such as Mixture-of-Experts models and dense transformers, as well as establishes optimal hyperparameter scaling laws across diverse data recipes. We contribute a universal, plug-and-play optimal hyperparameter tool for the community, which is expected to advance efficient LLM training at scale. All experimental code, data and checkpoints are publicly available at https://github.com/step-law/steplaw

CVMar 31, 2025Code
Effective Cloud Removal for Remote Sensing Images by an Improved Mean-Reverting Denoising Model with Elucidated Design Space

Yi Liu, Wengen Li, Jihong Guan et al.

Cloud removal (CR) remains a challenging task in remote sensing image processing. Although diffusion models (DM) exhibit strong generative capabilities, their direct applications to CR are suboptimal, as they generate cloudless images from random noise, ignoring inherent information in cloudy inputs. To overcome this drawback, we develop a new CR model EMRDM based on mean-reverting diffusion models (MRDMs) to establish a direct diffusion process between cloudy and cloudless images. Compared to current MRDMs, EMRDM offers a modular framework with updatable modules and an elucidated design space, based on a reformulated forward process and a new ordinary differential equation (ODE)-based backward process. Leveraging our framework, we redesign key MRDM modules to boost CR performance, including restructuring the denoiser via a preconditioning technique, reorganizing the training process, and improving the sampling process by introducing deterministic and stochastic samplers. To achieve multi-temporal CR, we further develop a denoising network for simultaneously denoising sequential images. Experiments on mono-temporal and multi-temporal datasets demonstrate the superior performance of EMRDM. Our code is available at https://github.com/Ly403/EMRDM.

CVMar 1
Towards Policy-Adaptive Image Guardrail: Benchmark and Method

Caiyong Piao, Zhiyuan Yan, Haoming Xu et al.

Accurate rejection of sensitive or harmful visual content, i.e., harmful image guardrail, is critical in many application scenarios. This task must continuously adapt to the evolving safety policies and content across various domains and over time. However, traditional classifiers, confined to fixed categories, require frequent retraining when new policies are introduced. Vision-language models (VLMs) offer a more adaptable and generalizable foundation for dynamic safety guardrails. Despite this potential, existing VLM-based safeguarding methods are typically trained and evaluated under only a fixed safety policy. We find that these models are heavily overfitted to the seen policy, fail to generalize to unseen policies, and even lose the basic instruction-following ability and general knowledge. To address this issue, in this paper we make two key contributions. First, we benchmark the cross-policy generalization performance of existing VLMs with SafeEditBench, a new evaluation suite. SafeEditBench leverages image-editing models to convert unsafe images into safe counterparts, producing policy-aligned datasets where each safe-unsafe image pair remains visually similar except for localized regions violating specific safety rules. Human annotators then provide accurate safe/unsafe labels under five distinct policies, enabling fine-grained assessment of policy-aware generalization. Second, we introduce SafeGuard-VL, a reinforcement learning-based method with verifiable rewards (RLVR) for robust unsafe-image guardrails. Instead of relying solely on supervised fine-tuning (SFT) under fixed policies, SafeGuard-VL explicitly optimizes the model with policy-grounded rewards, promoting verifiable adaptation across evolving policies. Extensive experiments verify the effectiveness of our method for unsafe image guardrails across various policies.

LGJun 12, 2025Code
Predictable Scale: Part II, Farseer: A Refined Scaling Law in Large Language Models

Houyi Li, Wenzhen Zheng, Qiufeng Wang et al.

Training Large Language Models (LLMs) is prohibitively expensive, creating a critical scaling gap where insights from small-scale experiments often fail to transfer to resource-intensive production systems, thereby hindering efficient innovation. To bridge this, we introduce Farseer, a novel and refined scaling law offering enhanced predictive accuracy across scales. By systematically constructing a model loss surface $L(N,D)$, Farseer achieves a significantly better fit to empirical data than prior laws (e.g., Chinchilla's law). Our methodology yields accurate, robust, and highly generalizable predictions, demonstrating excellent extrapolation capabilities, improving upon Chinchilla's law by reducing extrapolation error by 433\%. This allows for the reliable evaluation of competing training strategies across all $(N,D)$ settings, enabling conclusions from small-scale ablation studies to be confidently extrapolated to predict large-scale performance. Furthermore, Farseer provides new insights into optimal compute allocation, better reflecting the nuanced demands of modern LLM training. To validate our approach, we trained an extensive suite of approximately 1,000 LLMs across diverse scales and configurations, consuming roughly 3 million NVIDIA H100 GPU hours. We are comprehensively open-sourcing all models, data, results, and logs at https://github.com/Farseer-Scaling-Law/Farseer to foster further research.

LGJun 24, 2024Code
CausalFormer: An Interpretable Transformer for Temporal Causal Discovery

Lingbai Kong, Wengen Li, Hanchen Yang et al.

Temporal causal discovery is a crucial task aimed at uncovering the causal relations within time series data. The latest temporal causal discovery methods usually train deep learning models on prediction tasks to uncover the causality between time series. They capture causal relations by analyzing the parameters of some components of the trained models, e.g., attention weights and convolution weights. However, this is an incomplete mapping process from the model parameters to the causality and fails to investigate the other components, e.g., fully connected layers and activation functions, that are also significant for causal discovery. To facilitate the utilization of the whole deep learning models in temporal causal discovery, we proposed an interpretable transformer-based causal discovery model termed CausalFormer, which consists of the causality-aware transformer and the decomposition-based causality detector. The causality-aware transformer learns the causal representation of time series data using a prediction task with the designed multi-kernel causal convolution which aggregates each input time series along the temporal dimension under the temporal priority constraint. Then, the decomposition-based causality detector interprets the global structure of the trained causality-aware transformer with the proposed regression relevance propagation to identify potential causal relations and finally construct the causal graph. Experiments on synthetic, simulated, and real datasets demonstrate the state-of-the-art performance of CausalFormer on discovering temporal causality. Our code is available at https://github.com/lingbai-kong/CausalFormer.

QMDec 8, 2024Code
M$^{3}$-20M: A Large-Scale Multi-Modal Molecule Dataset for AI-driven Drug Design and Discovery

Siyuan Guo, Lexuan Wang, Chang Jin et al.

This paper introduces M$^{3}$-20M, a large-scale Multi-Modal Molecule dataset that contains over 20 million molecules, with the data mainly being integrated from existing databases and partially generated by large language models. Designed to support AI-driven drug design and discovery, M$^{3}$-20M is 71 times more in the number of molecules than the largest existing dataset, providing an unprecedented scale that can highly benefit the training or fine-tuning of models, including large language models for drug design and discovery tasks. This dataset integrates one-dimensional SMILES, two-dimensional molecular graphs, three-dimensional molecular structures, physicochemical properties, and textual descriptions collected through web crawling and generated using GPT-3.5, offering a comprehensive view of each molecule. To demonstrate the power of M$^{3}$-20M in drug design and discovery, we conduct extensive experiments on two key tasks: molecule generation and molecular property prediction, using large language models including GLM4, GPT-3.5, GPT-4, and Llama3-8b. Our experimental results show that M$^{3}$-20M can significantly boost model performance in both tasks. Specifically, it enables the models to generate more diverse and valid molecular structures and achieve higher property prediction accuracy than existing single-modal datasets, which validates the value and potential of M$^{3}$-20M in supporting AI-driven drug design and discovery. The dataset is available at https://github.com/bz99bz/M-3.

CVMar 19, 2024Code
Privacy-Preserving Face Recognition Using Trainable Feature Subtraction

Yuxi Mi, Zhizhou Zhong, Yuge Huang et al.

The widespread adoption of face recognition has led to increasing privacy concerns, as unauthorized access to face images can expose sensitive personal information. This paper explores face image protection against viewing and recovery attacks. Inspired by image compression, we propose creating a visually uninformative face image through feature subtraction between an original face and its model-produced regeneration. Recognizable identity features within the image are encouraged by co-training a recognition model on its high-dimensional feature representation. To enhance privacy, the high-dimensional representation is crafted through random channel shuffling, resulting in randomized recognizable images devoid of attacker-leverageable texture details. We distill our methodologies into a novel privacy-preserving face recognition method, MinusFace. Experiments demonstrate its high recognition accuracy and effective privacy protection. Its code is available at https://github.com/Tencent/TFace.

LGJan 24, 2022Code
DrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery -- A Focus on Affinity Prediction Problems with Noise Annotations

Yuanfeng Ji, Lu Zhang, Jiaxiang Wu et al.

AI-aided drug discovery (AIDD) is gaining increasing popularity due to its promise of making the search for new pharmaceuticals quicker, cheaper and more efficient. In spite of its extensive use in many fields, such as ADMET prediction, virtual screening, protein folding and generative chemistry, little has been explored in terms of the out-of-distribution (OOD) learning problem with \emph{noise}, which is inevitable in real world AIDD applications. In this work, we present DrugOOD, a systematic OOD dataset curator and benchmark for AI-aided drug discovery, which comes with an open-source Python package that fully automates the data curation and OOD benchmarking processes. We focus on one of the most crucial problems in AIDD: drug target binding affinity prediction, which involves both macromolecule (protein target) and small-molecule (drug compound). In contrast to only providing fixed datasets, DrugOOD offers automated dataset curator with user-friendly customization scripts, rich domain annotations aligned with biochemistry knowledge, realistic noise annotations and rigorous benchmarking of state-of-the-art OOD algorithms. Since the molecular data is often modeled as irregular graphs using graph neural network (GNN) backbones, DrugOOD also serves as a valuable testbed for \emph{graph OOD learning} problems. Extensive empirical studies have shown a significant performance gap between in-distribution and out-of-distribution experiments, which highlights the need to develop better schemes that can allow for OOD generalization under noise for AIDD.

IVAug 4, 2021Code
Recursive Fusion and Deformable Spatiotemporal Attention for Video Compression Artifact Reduction

Minyi Zhao, Yi Xu, Shuigeng Zhou

A number of deep learning based algorithms have been proposed to recover high-quality videos from low-quality compressed ones. Among them, some restore the missing details of each frame via exploring the spatiotemporal information of neighboring frames. However, these methods usually suffer from a narrow temporal scope, thus may miss some useful details from some frames outside the neighboring ones. In this paper, to boost artifact removal, on the one hand, we propose a Recursive Fusion (RF) module to model the temporal dependency within a long temporal range. Specifically, RF utilizes both the current reference frames and the preceding hidden state to conduct better spatiotemporal compensation. On the other hand, we design an efficient and effective Deformable Spatiotemporal Attention (DSTA) module such that the model can pay more effort on restoring the artifact-rich areas like the boundary area of a moving object. Extensive experiments show that our method outperforms the existing ones on the MFQE 2.0 dataset in terms of both fidelity and perceptual effect. Code is available at https://github.com/zhaominyiz/RFDA-PyTorch.

IVApr 21, 2021Code
NTIRE 2021 Challenge on Quality Enhancement of Compressed Video: Methods and Results

Ren Yang, Radu Timofte, Jing Liu et al.

This paper reviews the first NTIRE challenge on quality enhancement of compressed video, with a focus on the proposed methods and results. In this challenge, the new Large-scale Diverse Video (LDV) dataset is employed. The challenge has three tracks. Tracks 1 and 2 aim at enhancing the videos compressed by HEVC at a fixed QP, while Track 3 is designed for enhancing the videos compressed by x265 at a fixed bit-rate. Besides, the quality enhancement of Tracks 1 and 3 targets at improving the fidelity (PSNR), and Track 2 targets at enhancing the perceptual quality. The three tracks totally attract 482 registrations. In the test phase, 12 teams, 8 teams and 11 teams submitted the final results of Tracks 1, 2 and 3, respectively. The proposed methods and solutions gauge the state-of-the-art of video quality enhancement. The homepage of the challenge: https://github.com/RenYang-home/NTIRE21_VEnh

96.0CVMay 10
SSDA: Bridging Spectral and Structural Gaps via Dual Adaptation for Vision-Based Time Series Forecasting

Mingrui Zhang, Hanchen Yang, Wengen Li et al.

Large vision models (LVMs) have recently proven to be surprisingly effective time series forecasters, simply by rendering temporal data as images. This success, how ever, rests on a largely unexamined premise: the rendered time series images are sufficiently close to natural images for knowledge in pre-trained models to transfer effectively. We argue that two gaps still remain, i.e., spectral and structural gaps, fundamentally limiting the potential of LVMs for time series forecasting. Spectrally, we systematically reveal that rendered time series images exhibit a markedly shallower power spectrum than the natural images LVMs are pre-trained to recognize. Structurally, reshaping 1D temporal sequences into 2D grids fabricates spurious spatial adjacencies while severing genuine temporal continuities, misleading the spatial inductive biases of pre-trained LVMs. To bridge these gaps, we propose SSDA, a dual-branch network that spectrally and structurally adapts to unlock the full potential of LVMs for time series forecasting. At the data level, a Spectral Magnitude Aligner (SMA) applies 2D FFT to selectively enhance the magnitude spectrum toward natural-image statistics while preserving phase. At the model level, a Structural-Guided Low-Rank Adaptation (SG-LoRA) injects position-aware temporal encodings into patch embeddings and adapts at tention via low-rank updates. The two branches are further adaptively fused to produce the final forecast. Extensive experiments on seven real-world benchmarks demonstrate that SSDA consistently outperforms strong LVM- and LLM-based baselines under both full-shot and few-shot settings. Code is publicly available at https://anonymous.4open.science/r/SSDA-8C5B.

CVApr 16, 2024
Second Edition FRCSyn Challenge at CVPR 2024: Face Recognition Challenge in the Era of Synthetic Data

Ivan DeAndres-Tame, Ruben Tolosana, Pietro Melzi et al.

Synthetic data is gaining increasing relevance for training machine learning models. This is mainly motivated due to several factors such as the lack of real data and intra-class variability, time and errors produced in manual labeling, and in some cases privacy concerns, among others. This paper presents an overview of the 2nd edition of the Face Recognition Challenge in the Era of Synthetic Data (FRCSyn) organized at CVPR 2024. FRCSyn aims to investigate the use of synthetic data in face recognition to address current technological limitations, including data privacy concerns, demographic biases, generalization to novel scenarios, and performance constraints in challenging situations such as aging, pose variations, and occlusions. Unlike the 1st edition, in which synthetic data from DCFace and GANDiffFace methods was only allowed to train face recognition systems, in this 2nd edition we propose new sub-tasks that allow participants to explore novel face generative methods. The outcomes of the 2nd FRCSyn Challenge, along with the proposed experimental protocol and benchmarking contribute significantly to the application of synthetic data to face recognition.

LGDec 28, 2023
Molecular Property Prediction Based on Graph Structure Learning

Bangyi Zhao, Weixia Xu, Jihong Guan et al.

Molecular property prediction (MPP) is a fundamental but challenging task in the computer-aided drug discovery process. More and more recent works employ different graph-based models for MPP, which have made considerable progress in improving prediction performance. However, current models often ignore relationships between molecules, which could be also helpful for MPP. For this sake, in this paper we propose a graph structure learning (GSL) based MPP approach, called GSL-MPP. Specifically, we first apply graph neural network (GNN) over molecular graphs to extract molecular representations. Then, with molecular fingerprints, we construct a molecular similarity graph (MSG). Following that, we conduct graph structure learning on the MSG (i.e., molecule-level graph structure learning) to get the final molecular embeddings, which are the results of fusing both GNN encoded molecular representations and the relationships among molecules, i.e., combining both intra-molecule and inter-molecule information. Finally, we use these molecular embeddings to perform MPP. Extensive experiments on seven various benchmark datasets show that our method could achieve state-of-the-art performance in most cases, especially on classification tasks. Further visualization studies also demonstrate the good molecular representations of our method.

CVDec 2, 2024
Second FRCSyn-onGoing: Winning Solutions and Post-Challenge Analysis to Improve Face Recognition with Synthetic Data

Ivan DeAndres-Tame, Ruben Tolosana, Pietro Melzi et al.

Synthetic data is gaining increasing popularity for face recognition technologies, mainly due to the privacy concerns and challenges associated with obtaining real data, including diverse scenarios, quality, and demographic groups, among others. It also offers some advantages over real data, such as the large amount of data that can be generated or the ability to customize it to adapt to specific problem-solving needs. To effectively use such data, face recognition models should also be specifically designed to exploit synthetic data to its fullest potential. In order to promote the proposal of novel Generative AI methods and synthetic data, and investigate the application of synthetic data to better train face recognition systems, we introduce the 2nd FRCSyn-onGoing challenge, based on the 2nd Face Recognition Challenge in the Era of Synthetic Data (FRCSyn), originally launched at CVPR 2024. This is an ongoing challenge that provides researchers with an accessible platform to benchmark i) the proposal of novel Generative AI methods and synthetic data, and ii) novel face recognition systems that are specifically proposed to take advantage of synthetic data. We focus on exploring the use of synthetic data both individually and in combination with real data to solve current challenges in face recognition such as demographic bias, domain adaptation, and performance constraints in demanding situations, such as age disparities between training and testing, changes in the pose, or occlusions. Very interesting findings are obtained in this second edition, including a direct comparison with the first one, in which synthetic databases were restricted to DCFace and GANDiffFace.

CVApr 1, 2025
Data Synthesis with Diverse Styles for Face Recognition via 3DMM-Guided Diffusion

Yuxi Mi, Zhizhou Zhong, Yuge Huang et al.

Identity-preserving face synthesis aims to generate synthetic face images of virtual subjects that can substitute real-world data for training face recognition models. While prior arts strive to create images with consistent identities and diverse styles, they face a trade-off between them. Identifying their limitation of treating style variation as subject-agnostic and observing that real-world persons actually have distinct, subject-specific styles, this paper introduces MorphFace, a diffusion-based face generator. The generator learns fine-grained facial styles, e.g., shape, pose and expression, from the renderings of a 3D morphable model (3DMM). It also learns identities from an off-the-shelf recognition model. To create virtual faces, the generator is conditioned on novel identities of unlabeled synthetic faces, and novel styles that are statistically sampled from a real-world prior distribution. The sampling especially accounts for both intra-subject variation and subject distinctiveness. A context blending strategy is employed to enhance the generator's responsiveness to identity and style conditions. Extensive experiments show that MorphFace outperforms the best prior arts in face recognition efficacy.

LGJul 31, 2025
OKG-LLM: Aligning Ocean Knowledge Graph with Observation Data via LLMs for Global Sea Surface Temperature Prediction

Hanchen Yang, Jiaqi Wang, Jiannong Cao et al.

Sea surface temperature (SST) prediction is a critical task in ocean science, supporting various applications, such as weather forecasting, fisheries management, and storm tracking. While existing data-driven methods have demonstrated significant success, they often neglect to leverage the rich domain knowledge accumulated over the past decades, limiting further advancements in prediction accuracy. The recent emergence of large language models (LLMs) has highlighted the potential of integrating domain knowledge for downstream tasks. However, the application of LLMs to SST prediction remains underexplored, primarily due to the challenge of integrating ocean domain knowledge and numerical data. To address this issue, we propose Ocean Knowledge Graph-enhanced LLM (OKG-LLM), a novel framework for global SST prediction. To the best of our knowledge, this work presents the first systematic effort to construct an Ocean Knowledge Graph (OKG) specifically designed to represent diverse ocean knowledge for SST prediction. We then develop a graph embedding network to learn the comprehensive semantic and structural knowledge within the OKG, capturing both the unique characteristics of individual sea regions and the complex correlations between them. Finally, we align and fuse the learned knowledge with fine-grained numerical SST data and leverage a pre-trained LLM to model SST patterns for accurate prediction. Extensive experiments on the real-world dataset demonstrate that OKG-LLM consistently outperforms state-of-the-art methods, showcasing its effectiveness, robustness, and potential to advance SST prediction. The codes are available in the online repository.

LGDec 26, 2024
Multi-matrix Factorization Attention

Jingcheng Hu, Houyi Li, Yinmin Zhang et al.

We propose novel attention architectures, Multi-matrix Factorization Attention (MFA) and MFA-Key-Reuse (MFA-KR). Existing variants for standard Multi-Head Attention (MHA), including SOTA methods like MLA, fail to maintain as strong performance under stringent Key-Value cache (KV cache) constraints. MFA enhances model capacity by efficiently scaling up both the number and dimension of attention heads through low-rank matrix factorization in the Query-Key (QK) circuit. Extending MFA, MFA-KR further reduces memory requirements by repurposing the key cache as value through value projection re-parameterization. MFA's design enables strong model capacity when working under tight KV cache budget, while MFA-KR is suitable for even harsher KV cache limits with minor performance trade-off. Notably, in our extensive and large-scale experiments, the proposed architecture outperforms MLA and performs comparably to MHA, while reducing KV cache usage by up to 56% and 93.7%, respectively.