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Long-Kai Huang

24 accepted papers

2025

Atomas: Hierarchical Adaptive Alignment on Molecule-Text for Unified Molecule Understanding and Generation

ICLR 2025poster

Molecule-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 differ…

2025

IBCircuit: Towards Holistic Circuit Discovery with Information Bottleneck

ICML 2025poster

Circuit 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…

Cited by 0SourcePDFScholar
2025

Parameter and Memory Efficient Pretraining via Low-rank Riemannian Optimization

ICLR 2025poster

Pretraining 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 f…

2025

SD-LoRA: Scalable Decoupled Low-Rank Adaptation for Class Incremental Learning

ICLR 2025oral

Continual 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/LoR…

2025

Spurious Feature Eraser: Stabilizing Test-Time Adaptation for Vision-Language Foundation Model

AAAI 2025technical

Vision-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 classificat…

2024

Latent Trajectory Learning for Limited Timestamps under Distribution Shift over Time

ICLR 2024oral

Distribution 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…

Cited by 6SourcePDFScholar
2024

Learning Where to Edit Vision Transformers

NeurIPS 2024poster

Model 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 m…

2024

Meta Continual Learning Revisited: Implicitly Enhancing Online Hessian Approximation via Variance Reduction

ICLR 2024oral

Regularization-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 betw…

Cited by 22SourcePDFScholar
2024

Mitigating Catastrophic Forgetting in Online Continual Learning by Modeling Previous Task Interrelations via Pareto Optimization

ICML 2024poster

Catastrophic 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 tas…

Cited by 8SourcePDFScholar
2024

Towards Understanding Evolving Patterns in Sequential Data

NeurIPS 2024spotlight

In 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 da…

Cited by 1SourcePDFScholar
2023

DrugOOD: Out-of-Distribution Dataset Curator and Benchmark for AI-Aided Drug Discovery – a Focus on Affinity Prediction Problems with Noise Annotations

AAAI 2023technical

AI-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-…

Cited by 122SourcePDFScholar
2023

Retaining Beneficial Information from Detrimental Data for Neural Network Repair

NeurIPS 2023poster

The 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 c…

Cited by 0SourcePDFScholar
2023

Secure Out-of-Distribution Task Generalization with Energy-Based Models

NeurIPS 2023poster

The 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 adap…

Cited by 6SourcePDFScholar
2022

Fine-Tuning Graph Neural Networks via Graph Topology Induced Optimal Transport

IJCAI 2022poster

Recently, 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…

2022

Improving Task-Specific Generalization in Few-Shot Learning via Adaptive Vicinal Risk Minimization

NeurIPS 2022accept

Recent 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 devia…

Cited by 0SourcePDFScholar
2021

Functionally Regionalized Knowledge Transfer for Low-resource Drug Discovery

NeurIPS 2021poster

More 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 learni…

Cited by 16SourcePDFScholar
2021

Improving Generalization in Meta-learning via Task Augmentation

ICML 2021spotlight

Meta-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 t…