VLDB 2026 Research / reviewers in the wild / expert
Long-Kai Huang
dblp:133/2006 · also Longkai Huang
· DBLP profile ↗
32ranked-venue papers
9as first author
24since 2021 · last 2025
0000-0001-5263-1443ORCID · verified
Domains — the database's venue-derived domains; a paper can count in several
Artificial intelligence and machine learning · 30 · 9 first-author · 23 since 2021Graphics, computer vision, multimedia, augmented reality and games · 8 · 3 first-author · 4 since 2021Databases, data management, data science and information retrieval · 3 · 2 since 2021
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2025 | Spurious Feature Eraser: Stabilizing Test-Time Adaptation for Vision-Language Foundation ModelabstractVision-language foundation models have exhibited remarkable success across a multitude of downstream tasks due to their scalability on extensive image-text paired data. However, these models also display significant limitations when applied to downstream tasks, such as fine-grained image classification, as a result of ``decision shortcuts'' that hinder their generalization capabilities. In this work, we find that the CLIP model possesses a rich set of features, encompassing both desired invariant causal features and undesired decision shortcuts. Moreover, the underperformance of CLIP on downstream tasks originates from its inability to effectively utilize pre-trained features in accordance with specific task requirements. To address this challenge, we propose a simple yet effective method, Spurious Feature Eraser (SEraser), to alleviate the decision shortcuts by erasing the spurious features. Specifically, we introduce a test-time prompt tuning paradigm that optimizes a learnable prompt, thereby compelling the model to exploit invariant features while disregarding decision shortcuts during the inference phase. The proposed method effectively alleviates excessive dependence on potentially misleading spurious information. We conduct comparative analysis of the proposed method against various approaches which validates the significant superiority. Huan Ma 0006, Changqing Zhang 0002, Peilin Zhao, Baoyuan Wu, Long-Kai Huang, Qinghua Hu, Bingzhe Wu |
AAAI | 6 |
| 2025 | Parameter and Memory Efficient Pretraining via Low-rank Riemannian OptimizationabstractPretraining large language models often requires significant computational resources and memory due to their vast parameter amount. An effective approach to enhance parameter efficiency in both training and inference is to parameterize each full-size weight as the product of two trainable low-rank factors. While low-rank fine-tuning has achieved great success, low-rank pretraining remains challenging as it requires learning extensive knowledge from scratch under the restrictive low-rank parameterization. During standard low-rank pretraining, separately optimizing the low-rank factors introduces redundant information from the full gradient, which hinders the learning process. To achieve efficient yet effective low-rank pretraining, we propose a **Lo**w-rank **R**iemannian **O**ptimizer (**LORO**). At each LORO update step, the low-rank factor pairs are jointly updated to ensure their full-size product moves along the steepest descent direction on the low-rank manifold, without the need to compute any memory-intensive full-size matrices or gradients. Hence, our LORO finds low-rank models that achieve high performance comparable to full-size pretrained models, while significantly reducing memory usage and accelerating both training and inference. A LLaMA 1B model pretrained with LORO achieves a perplexity score of 2\% better than the full-size baseline, with a 54\% reduction in model memory, a $\times1.8$ speedup in training, and a $\times2.2$ speedup in inference. The code is available on https://github.com/mzf666/LORO-main. Zhanfeng Mo, Long-Kai Huang, Sinno Jialin Pan |
ICLR | 2 |
| 2025 | SD-LoRA: Scalable Decoupled Low-Rank Adaptation for Class Incremental LearningabstractContinual Learning (CL) with foundation models has recently emerged as a promising paradigm to exploit abundant knowledge acquired during pre-training for tackling sequential tasks. However, existing prompt-based and Low-Rank Adaptation-based (LoRA-based) methods often require expanding a prompt/LoRA pool or retaining samples of previous tasks, which poses significant scalability challenges as the number of tasks grows.
To address these limitations, we propose Scalable Decoupled LoRA (SD-LoRA) for class incremental learning, which continually separates the learning of the magnitude and direction of LoRA components without rehearsal. Our empirical and theoretical analysis reveals that SD-LoRA tends to follow a low-loss trajectory and converges to an overlapping low-loss region for all learned tasks, resulting in an excellent stability-plasticity trade-off. Building upon these insights, we introduce two variants of SD-LoRA with further improved parameter efficiency. All parameters of SD-LoRAs can be end-to-end optimized for CL objectives. Meanwhile, they support efficient inference by allowing direct evaluation with the finally trained model, obviating the need for component selection. Extensive experiments across multiple CL benchmarks and foundation models consistently validate the effectiveness of SD-LoRA. The code is available at https://github.com/WuYichen-97/SD-Lora-CL. Hongming Piao, Long-Kai Huang, Renzhen Wang, Wanhua Li 0001, Hanspeter Pfister, Deyu Meng, Kede Ma, Ying Wei 0001 |
ICLR | 3 |
| 2025 | Atomas: Hierarchical Adaptive Alignment on Molecule-Text for Unified Molecule Understanding and GenerationabstractMolecule-and-text cross-modal representation learning has emerged as a promising direction for enhancing the quality of molecular representation, thereby improving performance in various scientific fields. However, most approaches employ a global alignment approach to learn the knowledge from different modalities that may fail to capture fine-grained information, such as molecule-and-text fragments and stereoisomeric nuances, which is crucial for downstream tasks. Furthermore, it is incapable of modeling such information using a similar global alignment strategy due to the lack of annotations about the fine-grained fragments in the existing dataset.
In this paper, we propose Atomas, a hierarchical molecular representation learning framework that jointly learns representations from SMILES strings and text. We design a Hierarchical Adaptive Alignment model to automatically learn the fine-grained fragment correspondence between two modalities and align these representations at three semantic levels.
Atomas's end-to-end training framework supports understanding and generating molecules, enabling a wider range of downstream tasks. Atomas achieves superior performance across 12 tasks on 11 datasets, outperforming 11 baseline models thus highlighting the effectiveness and versatility of our method. Scaling experiments further demonstrate Atomas’s robustness and scalability. Moreover, visualization and qualitative analysis, validated by human experts, confirm the chemical relevance of our approach. Codes are released on ~\url{https://github.com/yikunpku/Atomas}. Geyan Ye, Chaohao Yuan, Bo Han 0003, Long-Kai Huang, Jianhua Yao 0001, Wei Liu 0005, Yu Rong 0001 |
ICLR | 5 |
| 2025 | IBCircuit: Towards Holistic Circuit Discovery with Information BottleneckabstractCircuit discovery has recently attracted attention as a potential research direction to explain the non-trivial behaviors of language models. It aims to find the computational subgraphs, also known as circuits, within the model that are responsible for solving specific tasks. However, most existing studies overlook the holistic nature of these circuits and require designing specific corrupted activations for different tasks, which is inaccurate and inefficient. In this work, we propose an end-to-end approach based on the principle of Information Bottleneck, called IBCircuit, to holistically identify informative circuits. In contrast to traditional causal interventions, IBCircuit is an optimization framework for holistic circuit discovery and can be applied to any given task without tediously corrupted activation design. In both the Indirect Object Identification (IOI) and Greater-Than tasks, IBCircuit identifies more faithful and minimal circuits in terms of critical node components and edge components compared to recent related work. Tian Bian, Yifan Niu, Chaohao Yuan, Chengzhi Piao, Bingzhe Wu, Long-Kai Huang, Yu Rong 0001, Tingyang Xu, Hong Cheng 0001, Jia Li 0009 |
ICML | 6 |
| 2025 | Steering Protein Language ModelsabstractProtein Language Models (PLMs), pre-trained on extensive evolutionary data from natural proteins, have emerged as indispensable tools for protein design. While powerful, PLMs often struggle to produce proteins with precisely specified functionalities or properties due to inherent challenges in controlling their outputs.
In this work, we investigate the potential of Activation Steering, a technique originally developed for controlling text generation in Large Language Models (LLMs), to direct PLMs toward generating protein sequences with targeted properties. We propose a simple yet effective method that employs activation editing to steer PLM outputs, and extend this approach to protein optimization through a novel editing site identification module. Through comprehensive experiments on lysozyme-like sequence generation and optimization, we demonstrate that our methods can be seamlessly integrated into both auto-encoding and autoregressive PLMs without requiring additional training. These results highlight a promising direction for precise protein engineering using foundation models.
Code is available at <https://github.com/Long-Kai/Steering-PLMs>. Long-Kai Huang, Rongyi Zhu, Jianhua Yao 0001 |
ICML | 1 |
| 2025 | Annotation-guided Protein Design with Multi-Level Domain Alignment
Chaohao Yuan, Songyou Li, Geyan Ye, Long-Kai Huang, Wenbing Huang 0001, Wei Liu 0005, Jianhua Yao 0001, Yu Rong 0001 |
KDD (1) | 5 |
| 2025 | Model Editing for Vision TransformersabstractModel editing offers a promising paradigm for efficiently and precisely updating knowledge in pre-trained transformers without costly retraining. While extensively studied in language models (LMs), model editing for vision transformers (ViTs) remains underexplored. Existing methods typically adapt LM-based techniques by modifying the multi-layer perceptron (MLP) modules, overlooking the unique characteristics of ViTs. In this work, we show that ViT predictions are more strongly influenced by the multi-head self-attention (MSA) modules than by the MLPs. Building on this observation, we propose a two-stage framework for editing ViTs. First, we identify which attention heads are most responsible for incorrect predictions. Next, we selectively remove the corresponding features to correct the model’s prediction. To further balance error correction with predictive stability on unrelated data, we learn a projection matrix that refines the image representations. Extensive experiments across multiple real-world datasets and model editing benchmarks demonstrate that our method consistently outperforms existing model editing methods for ViTs, achieving superior generalization and locality. Our code is available at https://github.com/shanghxy/Model-editing-for-vision-transformers. Kangfei Zhao, Long-Kai Huang |
NeurIPS | 3 |
| 2024 | Meta Continual Learning Revisited: Implicitly Enhancing Online Hessian Approximation via Variance ReductionabstractRegularization-based methods have so far been among the *de facto* choices for continual learning. Recent theoretical studies have revealed that these methods all boil down to relying on the Hessian matrix approximation of model weights.
However, these methods suffer from suboptimal trade-offs between knowledge transfer and forgetting due to fixed and unchanging Hessian estimations during training.
Another seemingly parallel strand of Meta-Continual Learning (Meta-CL) algorithms enforces alignment between gradients of previous tasks and that of the current task.
In this work we revisit Meta-CL and for the first time bridge it with regularization-based methods. Concretely, Meta-CL implicitly approximates Hessian in an online manner, which enjoys the benefits of timely adaptation but meantime suffers from high variance induced by random memory buffer sampling.
We are thus highly motivated to combine the best of both worlds, through the proposal of Variance Reduced Meta-CL (VR-MCL) to achieve both timely and accurate Hessian approximation.
Through comprehensive experiments across three datasets and various settings, we consistently observe that VR-MCL outperforms other SOTA methods, which further validates the effectiveness of VR-MCL. Long-Kai Huang, Renzhen Wang, Deyu Meng, Ying Wei 0001 |
ICLR | 2 |
| 2024 | Latent Trajectory Learning for Limited Timestamps under Distribution Shift over TimeabstractDistribution shifts over time are common in real-world machine-learning applications. This scenario is formulated as Evolving Domain Generalization (EDG), where models aim to generalize well to unseen target domains in a time-varying system by learning and leveraging the underlying evolving pattern of the distribution shifts across domains. However, existing methods encounter challenges due to the limited number of timestamps (every domain corresponds to a timestamp) in EDG datasets, leading to difficulties in capturing evolving dynamics and risking overfitting to the sparse timestamps, which hampers their generalization and adaptability to new tasks. To address this limitation, we propose a novel approach SDE-EDG that collects the Infinitely Fined-Grid Evolving Trajectory (IFGET) of the data distribution with continuous-interpolated samples to bridge temporal gaps (intervals between two successive timestamps). Furthermore, by leveraging the inherent capacity of Stochastic Differential Equations (SDEs) to capture continuous trajectories, we propose their use to align SDE-modeled trajectories with IFGET across domains, thus enabling the capture of evolving distribution trends. We evaluate our approach on several benchmark datasets and demonstrate that it can achieve superior performance compared to existing state-of-the-art methods. Qiuhao Zeng, Changjian Shui, Long-Kai Huang, Xi Chen 0009, Charles Ling 0001, Boyu Wang 0004 |
ICLR | 3 |
| 2024 | Mitigating Catastrophic Forgetting in Online Continual Learning by Modeling Previous Task Interrelations via Pareto OptimizationabstractCatastrophic forgetting remains a core challenge in continual learning (CL), where the models struggle to retain previous knowledge when learning new tasks. While existing replay-based CL methods have been proposed to tackle this challenge by utilizing a memory buffer to store data from previous tasks, they generally overlook the interdependence between previously learned tasks and fail to encapsulate the optimally integrated knowledge in previous tasks, leading to sub-optimal performance of the previous tasks. Against this issue, we first reformulate replay-based CL methods as a unified hierarchical gradient aggregation framework. We then incorporate the Pareto optimization to capture the interrelationship among previously learned tasks and design a Pareto-Optimized CL algorithm (POCL), which effectively enhances the overall performance of past tasks while ensuring the performance of the current task. Comprehensive empirical results demonstrate that the proposed POCL outperforms current state-of-the-art CL methods across multiple datasets and different settings. Hong Wang 0021, Peilin Zhao, Yefeng Zheng 0001, Ying Wei 0001, Long-Kai Huang |
ICML | 6 |
| 2024 | Learning Where to Edit Vision TransformersabstractModel editing aims to data-efficiently correct predictive errors of large pre-trained models while ensuring generalization to neighboring failures and locality to minimize unintended effects on unrelated examples. While significant progress has been made in editing Transformer-based large language models, effective strategies for editing vision Transformers (ViTs) in computer vision remain largely untapped. In this paper, we take initial steps towards correcting predictive errors of ViTs, particularly those arising from subpopulation shifts. Taking a locate-then-edit approach, we first address the ``where-to-edit`` challenge by meta-learning a hypernetwork on CutMix-augmented data generated for editing reliability. This trained hypernetwork produces generalizable binary masks that identify a sparse subset of structured model parameters, responsive to real-world failure samples. Afterward, we solve the ``how-to-edit`` problem by simply fine-tuning the identified parameters using a variant of gradient descent to achieve successful edits. To validate our method, we construct an editing benchmark that introduces subpopulation shifts towards natural underrepresented images and AI-generated images, thereby revealing the limitations of pre-trained ViTs for object recognition. Our approach not only achieves superior performance on the proposed benchmark but also allows for adjustable trade-offs between generalization and locality. Our code is available at https://github.com/hustyyq/Where-to-Edit. Yunqiao Yang 0001, Long-Kai Huang, Shengzhuang Chen, Kede Ma, Ying Wei 0001 |
NeurIPS | 2 |
| 2024 | Towards Understanding Evolving Patterns in Sequential DataabstractIn many machine learning tasks, data is inherently sequential. Most existing algorithms learn from sequential data in an auto-regressive manner, which predicts the next unseen data point based on the observed sequence, implicitly assuming the presence of an \emph{evolving pattern} embedded in the data that can be leveraged. However, identifying and assessing evolving patterns in learning tasks often relies on subjective judgments rooted in the prior knowledge of human experts, lacking a standardized quantitative measure. Furthermore, such measures enable us to determine the suitability of employing sequential models effectively and make informed decisions on the temporal order of time series data, and feature/data selection processes. To address this issue, we introduce the Evolving Rate (EvoRate), which quantitatively approximates the intensity of evolving patterns in the data with Mutual Information. Furthermore, in some temporal data with neural mutual information estimations, we only have snapshots at different timestamps, lacking correspondence, which hinders EvoRate estimation. To tackle this challenge, we propose EvoRate$_\mathcal{W}$, aiming to establish correspondence with optimal transport for estimating the first-order EvoRate. Experiments on synthetic and real-world datasets including images and tabular data validate the efficacy of our EvoRate. Qiuhao Zeng, Long-Kai Huang, Qi Chen 0015, Charles Ling 0001, Boyu Wang 0004 |
NeurIPS | 2 |
| 2023 | DrugOOD: Out-of-Distribution Dataset Curator and Benchmark for AI-Aided Drug Discovery - a Focus on Affinity Prediction Problems with Noise AnnotationsabstractAI-aided drug discovery (AIDD) is gaining popularity due to its potential to make the search for new pharmaceuticals faster, less expensive, and more effective. Despite its extensive use in numerous fields (e.g., ADMET prediction, virtual screening), little research has been conducted on the out-of-distribution (OOD) learning problem with noise. We present DrugOOD, a systematic OOD dataset curator and benchmark for AIDD. Particularly, we focus on the drug-target binding affinity prediction problem, which involves both macromolecule (protein target) and small-molecule (drug compound). DrugOOD offers an automated dataset curator with user-friendly customization scripts, rich domain annotations aligned with biochemistry knowledge, realistic noise level annotations, and rigorous benchmarking of SOTA OOD algorithms, as opposed to only providing fixed datasets. Since the molecular data is often modeled as irregular graphs using graph neural network (GNN) backbones, DrugOOD also serves as a valuable testbed for graph OOD learning problems. Extensive empirical studies have revealed a significant performance gap between in-distribution and out-of-distribution experiments, emphasizing the need for the development of more effective schemes that permit OOD generalization under noise for AIDD. Yuanfeng Ji, Lu Zhang 0060, Jiaxiang Wu 0001, Bingzhe Wu, Lanqing Li, Long-Kai Huang, Tingyang Xu, Yu Rong 0001, Ding Xue, Houtim Lai, Wei Liu 0005, Junzhou Huang, Shuigeng Zhou, Ping Luo 0002, Peilin Zhao, Yatao Bian |
AAAI | 6 |
| 2023 | Concept-wise Fine-tuning Matters in Preventing Negative TransferabstractA multitude of prevalent pre-trained models mark a major milestone in the development of artificial intelligence, while fine-tuning has been a common practice that enables pretrained models to figure prominently in a wide array of target datasets. Our empirical results reveal that off-the-shelf finetuning techniques are far from adequate to mitigate negative transfer caused by two types of underperforming features in a pre-trained model, including rare features and spuriously correlated features. Rooted in structural causal models of predictions after fine-tuning, we propose a Concept-wise fine-tuning (Concept-Tuning) approach which refines feature representations in the level of patches with each patch encoding a concept. Concept-Tuning minimizes the negative impacts of rare features and spuriously correlated features by (1) maximizing the mutual information between examples in the same category with regard to a slice of rare features (a patch) and (2) applying front-door adjustment via attention neural networks in channels and feature slices (patches). The proposed Concept-Tuning consistently and significantly (by up to 4.76%) improves prior state-of-the-art fine-tuning methods on eleven datasets, diverse pre-training strategies (supervised and self-supervised ones), various network architectures, and sample sizes in a target dataset. Yunqiao Yang 0001, Long-Kai Huang, Ying Wei 0001 |
ICCV | 2 |
| 2023 | Secure Out-of-Distribution Task Generalization with Energy-Based ModelsabstractThe success of meta-learning on out-of-distribution (OOD) tasks in the wild has proved to be hit-and-miss.
To safeguard the generalization capability of the meta-learned prior knowledge to OOD tasks, in particularly safety-critical applications, necessitates detection of an OOD task followed by adaptation of the task towards the prior.
Nonetheless, the reliability of estimated uncertainty on OOD tasks by existing Bayesian meta-learning methods is restricted by incomplete coverage of the feature distribution shift and insufficient expressiveness of the meta-learned prior.
Besides, they struggle to adapt an OOD task, running parallel to the line of cross-domain task adaptation solutions which are vulnerable to overfitting.
To this end, we build a single coherent framework that supports both detection and adaptation of OOD tasks, while remaining compatible with off-the-shelf meta-learning backbones.
The proposed Energy-Based Meta-Learning (EBML) framework learns to characterize any arbitrary meta-training task distribution with the composition of two expressive neural-network-based energy functions. We deploy the sum of the two energy functions, being proportional to the joint distribution of a task, as a reliable score for detecting OOD tasks; during meta-testing, we adapt the OOD task to in-distribution tasks by energy minimization.
Experiments on four regression and classification datasets demonstrate the effectiveness of our proposal. Shengzhuang Chen, Long-Kai Huang, Jonathan Schwarz, Yilun Du, Ying Wei 0001 |
NeurIPS | 2 |
| 2023 | Retaining Beneficial Information from Detrimental Data for Neural Network RepairabstractThe performance of deep learning models heavily relies on the quality of the training data. Inadequacies in the training data, such as corrupt input or noisy labels, can lead to the failure of model generalization. Recent studies propose repairing the model by identifying the training samples that contribute to the failure and removing their influence from the model. However, it is important to note that the identified data may contain both beneficial and detrimental information. Simply erasing the information of the identified data from the model can have a negative impact on its performance, especially when accurate data is mistakenly identified as detrimental and removed. To overcome this challenge, we propose a novel approach that leverages the knowledge obtained from a retained clean set. Our method first identifies harmful data by utilizing the clean set, then separates the beneficial and detrimental information within the identified data. Finally, we utilize the extracted beneficial information to enhance the model's performance. Through empirical evaluations, we demonstrate that our method outperforms baseline approaches in both identifying harmful data and rectifying model failures. Particularly in scenarios where identification is challenging and a significant amount of benign data is involved, our method improves performance while the baselines deteriorate due to the erroneous removal of beneficial information. Long-Kai Huang, Peilin Zhao, Junzhou Huang, Sinno Jialin Pan |
NeurIPS | 1 |
| 2023 | Improving Generalizability of Graph Anomaly Detection Models via Data AugmentationabstractGraph anomaly detection (GAD) has wide applications in real-world networked systems. In many scenarios, people need to identify anomalies on new (sub)graphs, but they may lack labels to train an effective detection model. Since recent semi-supervised GAD methods, which can leverage the available labels as prior knowledge, have achieved superior performance than unsupervised methods, one natural idea is to directly adopt a trained semi-supervised GAD model to the new (sub)graphs for testing. However, we find that existing semi-supervised GAD methods suffer from poor generalization issues, i.e., well-trained models could not perform well on an unseen area (i.e., not accessible in training) of the graph. Motivated by this, we formally define the problem of generalized graph anomaly detection that aims to effectively identify anomalies on both the training-domain graph(s) and the unseen test graph(s). Nevertheless, it is a challenging task since only limited labels are available, and the normal data distribution may differ between training and testing data. Accordingly, we propose a data augmentation method namedAugAN(Augmentation forAnomaly andNormal distributions) to enrich training data and adopt a customized episodic training strategy for learning with the augmented data. Extensive experiments verify the effectiveness ofAugANin improving model generalizability. Shuang Zhou 0012, Xiao Huang 0001, Ninghao Liu 0001, Huachi Zhou, Korris Fu-Lai Chung, Long-Kai Huang |
IEEE Trans. Knowl. Data Eng. | 6 |
| 2022 | Frustratingly Easy Transferability EstimationabstractTransferability estimation has been an essential tool in selecting a pre-trained model and the layers in it for transfer learning, to transfer, so as to maximize the performance on a target task and prevent negative transfer. Existing estimation algorithms either require intensive training on target tasks or have difficulties in evaluating the transferability between layers. To this end, we propose a simple, efficient, and effective transferability measure named TransRate. Through a single pass over examples of a target task, TransRate measures the transferability as the mutual information between features of target examples extracted by a pre-trained model and their labels. We overcome the challenge of efficient mutual information estimation by resorting to coding rate that serves as an effective alternative to entropy. From the perspective of feature representation, the resulting TransRate evaluates both completeness (whether features contain sufficient information of a target task) and compactness (whether features of each class are compact enough for good generalization) of pre-trained features. Theoretically, we have analyzed the close connection of TransRate to the performance after transfer learning. Despite its extraordinary simplicity in 10 lines of codes, TransRate performs remarkably well in extensive evaluations on 35 pre-trained models and 16 downstream tasks. Long-Kai Huang, Junzhou Huang, Yu Rong 0001, Qiang Yang 0010, Ying Wei 0001 |
ICML | 1 |
| 2022 | Fine-Tuning Graph Neural Networks via Graph Topology Induced Optimal TransportabstractRecently, the pretrain-finetuning paradigm has attracted tons of attention in graph learning community due to its power of alleviating the lack of labels problem in many real-world applications. Current studies use existing techniques, such as weight constraint, representation constraint, which are derived from images or text data, to transfer the invariant knowledge from the pre-train stage to fine-tuning stage. However, these methods failed to preserve invariances from graph structure and Graph Neural Network (GNN) style models. In this paper, we present a novel optimal transport-based fine-tuning framework called GTOT-Tuning, namely, Graph Topology induced Optimal Transport fine-Tuning, for GNN style backbones. GTOT-Tuning is required to utilize the property of graph data to enhance the preservation of representation produced by fine-tuned networks. Toward this goal, we formulate graph local knowledge transfer as an Optimal Transport (OT) problem with a structural prior and construct the GTOT regularizer to constrain the fine-tuned model behaviors. By using the adjacency relationship amongst nodes, the GTOT regularizer achieves node-level optimal transport procedures and reduces redundant transport procedures, resulting in efficient knowledge transfer from the pre-trained models. We evaluate GTOT-Tuning on eight downstream tasks with various GNN backbones and demonstrate that it achieves state-of-the-art fine-tuning performance for GNNs. Jiying Zhang, Xi Xiao 0001, Long-Kai Huang, Yu Rong 0001, Yatao Bian |
IJCAI | 3 |
| 2022 | Improving Task-Specific Generalization in Few-Shot Learning via Adaptive Vicinal Risk MinimizationabstractRecent years have witnessed the rapid development of meta-learning in improving the meta generalization over tasks in few-shot learning. However, the task-specific level generalization is overlooked in most algorithms. For a novel few-shot learning task where the empirical distribution likely deviates from the true distribution, the model obtained via minimizing the empirical loss can hardly generalize to unseen data. A viable solution to improving the generalization comes as a more accurate approximation of the true distribution; that is, admitting a Gaussian-like vicinal distribution for each of the limited training samples. Thereupon we derive the resulting vicinal loss function over vicinities of all training samples and minimize it instead of the conventional empirical loss over training samples only, favorably free from the exhaustive sampling of all vicinal samples.It remains challenging to obtain the statistical parameters of the vicinal distribution for each sample. To tackle this challenge, we further propose to estimate the statistical parameters as the weighted mean and variance of a set of unlabeled data it passed by a random walk starting from training samples. To verify the performance of the proposed method, we conduct experiments on four standard few-shot learning benchmarks and consolidate the superiority of the proposed method over state-of-the-art few-shot learning baselines. Long-Kai Huang, Ying Wei 0001 |
NeurIPS | 1 |
| 2022 | Adversarial Task Up-sampling for Meta-learningabstractThe success of meta-learning on existing benchmarks is predicated on the assumption that the distribution of meta-training tasks covers meta-testing tasks. Frequent violation of the assumption in applications with either insufficient tasks or a very narrow meta-training task distribution leads to memorization or learner overfitting. Recent solutions have pursued augmentation of meta-training tasks, while it is still an open question to generate both correct and sufficiently imaginary tasks. In this paper, we seek an approach that up-samples meta-training tasks from the task representation via a task up-sampling network. Besides, the resulting approach named Adversarial Task Up-sampling (ATU) suffices to generate tasks that can maximally contribute to the latest meta-learner by maximizing an adversarial loss. On few-shot sine regression and image classification datasets, we empirically validate the marked improvement of ATU over state-of-the-art task augmentation strategies in the meta-testing performance and also the quality of up-sampled tasks. Long-Kai Huang, Ying Wei 0001 |
NeurIPS | 2 |
| 2021 | Improving Generalization in Meta-learning via Task AugmentationabstractMeta-learning has proven to be a powerful paradigm for transferring the knowledge from previous tasks to facilitate the learning of a novel task. Current dominant algorithms train a well-generalized model initialization which is adapted to each task via the support set. The crux lies in optimizing the generalization capability of the initialization, which is measured by the performance of the adapted model on the query set of each task. Unfortunately, this generalization measure, evidenced by empirical results, pushes the initialization to overfit the meta-training tasks, which significantly impairs the generalization and adaptation to novel tasks. To address this issue, we actively augment a meta-training task with “more data” when evaluating the generalization. Concretely, we propose two task augmentation methods, including MetaMix and Channel Shuffle. MetaMix linearly combines features and labels of samples from both the support and query sets. For each class of samples, Channel Shuffle randomly replaces a subset of their channels with the corresponding ones from a different class. Theoretical studies show how task augmentation improves the generalization of meta-learning. Moreover, both MetaMix and Channel Shuffle outperform state-of-the-art results by a large margin across many datasets and are compatible with existing meta-learning algorithms. Huaxiu Yao, Long-Kai Huang, Linjun Zhang, Ying Wei 0001, James Zou 0001, Junzhou Huang, Zhenhui Li |
ICML | 2 |
| 2021 | Functionally Regionalized Knowledge Transfer for Low-resource Drug DiscoveryabstractMore recently, there has been a surge of interest in employing machine learning approaches to expedite the drug discovery process where virtual screening for hit discovery and ADMET prediction for lead optimization play essential roles. One of the main obstacles to the wide success of machine learning approaches in these two tasks is that the number of compounds labeled with activities or ADMET properties is too small to build an effective predictive model. This paper seeks to remedy the problem by transferring the knowledge from previous assays, namely in-vivo experiments, by different laboratories and against various target proteins. To accommodate these wildly different assays and capture the similarity between assays, we propose a functional rationalized meta-learning algorithm FRML for such knowledge transfer. FRML constructs the predictive model with layers of neural sub-networks or so-called functional regions. Building on this, FRML shares an initialization for the weights of the predictive model across all assays, while customizes it to each assay with a region localization network choosing the pertinent regions. The compositionality of the model improves the capacity of generalization to various and even out-of-distribution tasks. Empirical results on both virtual screening and ADMET prediction validate the superiority of FRML over state-of-the-art baselines powered with interpretability in assay relationship. Huaxiu Yao, Ying Wei 0001, Long-Kai Huang, Ding Xue, Junzhou Huang, Zhenhui Li |
NeurIPS | 3 |
| 2020 | Communication-Efficient Distributed PCA by Riemannian OptimizationabstractIn this paper, we study the leading eigenvector problem in a statistically distributed setting and propose a communication-efficient algorithm based on Riemannian optimization, which trades local computation for global communication. Theoretical analysis shows that the proposed algorithm linearly converges to the centralized empirical risk minimization solution regarding the number of communication rounds. When the number of data points in local machines is sufficiently large, the proposed algorithm achieves a significant reduction of communication cost over existing distributed PCA algorithms. Superior performance in terms of communication cost of the proposed algorithm is verified on real-world and synthetic datasets. Long-Kai Huang, Sinno Jialin Pan |
ICML | 1 |
| 2019 | Accelerate Learning of Deep Hashing With Gradient AttentionabstractRecent years have witnessed the success of learning to hash in fast large-scale image retrieval. As deep learning has shown its superior performance on many computer vision applications, recent designs of learning-based hashing models have been moving from shallow ones to deep architectures. However, based on our analysis, we find that gradient descent based algorithms used in deep hashing models would potentially cause hash codes of a pair of training instances to be updated towards the directions of each other simultaneously during optimization. In the worst case, the paired hash codes switch their directions after update, and consequently, their corresponding distance in the Hamming space remain unchanged. This makes the overall learning process highly inefficient. To address this issue, we propose a new deep hashing model integrated with a novel gradient attention mechanism. Extensive experimental results on three benchmark datasets show that our proposed algorithm is able to accelerate the learning process and obtain competitive retrieval performance compared with state-of-the-art deep hashing models. Long-Kai Huang, Jianda Chen, Sinno Jialin Pan |
ICCV | 1 |
| 2019 | A fast online spherical hashing method based on data sampling for large scale image retrieval
Zhenyu Weng, Yuesheng Zhu, Yinhe Lan, Long-Kai Huang |
Neurocomputing | 4 |
| 2018 | Recurrent knowledge graph embedding for effective recommendationabstractKnowledge graphs (KGs) have proven to be effective to improve recommendation. Existing methods mainly rely on hand-engineered features from KGs (e.g., meta paths), which requires domain knowledge. This paper presents RKGE, a KG embedding approach that automatically learns semantic representations of both entities and paths between entities for characterizing user preferences towards items. Specifically, RKGE employs a novel recurrent network architecture that contains a batch of recurrent networks to model the semantics of paths linking a same entity pair, which are seamlessly fused into recommendation. It further employs a pooling operator to discriminate the saliency of different paths in characterizing user preferences towards items. Extensive validation on real-world datasets shows the superiority of RKGE against state-of-the-art methods. Furthermore, we show that RKGE provides meaningful explanations for recommendation results. Zhu Sun 0001, Jie Yang 0028, Jie Zhang 0002, Alessandro Bozzon, Long-Kai Huang |
RecSys | 5 |
| 2018 | Online HashingabstractAlthough hash function learning algorithms have achieved great success in recent years, most existing hash models are off-line, which are not suitable for processing sequential or online data. To address this problem, this paper proposes an online hash model to accommodate data coming in stream for online learning. Specifically, a new loss function is proposed to measure the similarity loss between a pair of data samples in hamming space. Then, a structured hash model is derived and optimized in a passive-aggressive way. Theoretical analysis on the upper bound of the cumulative loss for the proposed online hash model is provided. Furthermore, we extend our online hashing (OH) from a single model to a multimodel OH that trains multiple models so as to retain diverse OH models in order to avoid biased update. The competitive efficiency and effectiveness of the proposed online hash models are verified through extensive experiments on several large-scale data sets as compared with related hashing methods. Long-Kai Huang, Qiang Yang 0010, Wei-Shi Zheng 0001 |
IEEE Trans. Neural Networks Learn. Syst. | 1 |
| 2016 | Class-Wise Supervised Hashing with Label Embedding and Active Bits
Long-Kai Huang, Sinno Jialin Pan |
IJCAI | 1 |
| 2013 | Online Hashing
Long-Kai Huang, Qiang Yang 0010, Wei-Shi Zheng 0001 |
IJCAI | 1 |
| 2013 | Smart Hashing Update for Fast Response
Qiang Yang 0010, Long-Kai Huang, Wei-Shi Zheng 0001, Yingbiao Ling |
IJCAI | 2 |