ICLR 2025 论文列表

International Conference on Learning Representations

录用类型

3,703篇论文

按官方录用论文列表统计,可能与会议公布的数字略有出入。

  • Oral
    2135.8%
  • Spotlight
    38010.3%
  • Poster
    3,11084.0%

浏览全部论文

Curriculum-aware Training for Discriminating Molecular Property Prediction Models

Hansi Yang, Quanming Yao, James Kwok

展开摘要

Despite their wide application across various fields, current molecular property prediction models struggle with the challenge of activity cliff, which refers to the situation where molecules with similar chemical structures display remarkable different properties. This phenomenon hinders existing models' ability to learn distinctive representations for molecules with similar chemical structures, and results in inaccurate predictions on molecules with activity cliff. To address this limitation, we first present empirical evidence demonstrating the ineffectiveness of standard training pipelines on molecules with activity cliff. We propose a novel approach that reformulates molecular property prediction as a node classification problem, introducing two innovative tasks at both the node and edge levels to improve learning outcomes for these challenging molecules with activity cliff. Our method is versatile, allowing seamless integration with a variety of base models, whether pre-trained or randomly initialized. Extensive evaluation across different molecular property prediction datasets validate the effectiveness of our approach.

Poster
KooNPro: A Variance-Aware Koopman Probabilistic Model Enhanced by Neural Process for Time Series Forecasting

Ronghua Zheng, Hanru Bai, Weiyang Ding

展开摘要

The probabilistic forecasting of time series is a well-recognized challenge, particularly in disentangling correlations among interacting time series and addressing the complexities of distribution modeling. By treating time series as temporal dynamics, we introduce **KooNPro**, a novel probabilistic time series forecasting model that combines variance-aware deep **Koo**pman model with **N**eural **Pro**cess. KooNPro introduces a variance-aware continuous spectrum using Gaussian distributions to capture complex temporal dynamics with improved stability. It further integrates the Neural Process to capture fine dynamics, enabling enhanced dynamics capture and prediction. Extensive experiments on nine real-world datasets demonstrate that KooNPro consistently outperforms state-of-the-art baselines. Ablation studies highlight the importance of the Neural Process component and explore the impact of key hyperparameters. Overall, KooNPro presents a promising novel approach for probabilistic time series forecasting.

Poster
SynQ: Accurate Zero-shot Quantization by Synthesis-aware Fine-tuning

Minjun Kim, Jongjin Kim, U Kang

展开摘要

How can we accurately quantize a pre-trained model without any data? Quantization algorithms are widely used for deploying neural networks on resource-constrained edge devices. Zero-shot Quantization (ZSQ) addresses the crucial and practical scenario where training data are inaccessible for privacy or security reasons. However, three significant challenges hinder the performance of existing ZSQ methods: 1) noise in the synthetic dataset, 2) predictions based on off-target patterns, and the 3) misguidance by erroneous hard labels. In this paper, we propose SynQ (Synthesis-aware Fine-tuning for Zero-shot Quantization), a carefully designed ZSQ framework to overcome the limitations of existing methods. SynQ minimizes the noise from the generated samples by exploiting a low-pass filter. Then, SynQ trains the quantized model to improve accuracy by aligning its class activation map with the pre-trained model. Furthermore, SynQ mitigates misguidance from the pre-trained model's error by leveraging only soft labels for difficult samples. Extensive experiments show that SynQ provides the state-of-the-art accuracy, over existing ZSQ methods.

Poster
Going Beyond Feature Similarity: Effective Dataset distillation based on Class-aware Conditional Mutual Information

Xinhao Zhong, Bin CHEN, Hao Fang, Xulin Gu, Shu-Tao Xia, EN-HUI YANG

展开摘要

Dataset distillation (DD) aims to minimize the time and memory consumption needed for training deep neural networks on large datasets, by creating a smaller synthetic dataset that has similar performance to that of the full real dataset. However, current dataset distillation methods often result in synthetic datasets that are excessively difficult for networks to learn from, due to the compression of a substantial amount of information from the original data through metrics measuring feature similarity, e,g., distribution matching (DM). In this work, we introduce conditional mutual information (CMI) to assess the class-aware complexity of a dataset and propose a novel method by minimizing CMI. Specifically, we minimize the distillation loss while constraining the class-aware complexity of the synthetic dataset by minimizing its empirical CMI from the feature space of pre-trained networks, simultaneously. Conducting on a thorough set of experiments, we show that our method can serve as a general regularization method to existing DD methods and improve the performance and training efficiency.

Poster