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检索条件"机构=Key Lab. of Scientific Computing and Intelligent Information Processing"

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Imputation of Compound Property Assay Data Using a Gene Expression Programming-Based Method 1st

Imputation of Compound Property Assay Data Using a Gene Expr...

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1st International Conference on Applied Intelligence, ICAI 2023

作者： Zhou, Hongliang Lin, Yanmei Chen, Nan Peng, Yuzhong Key Lab of Scientific Computing and Intelligent Information Processing Nanning Normal University Guangxi Nanning5300001 China Guangxi Academy of Sciences Guangxi Nanning530007 China

ISBN: (纸本)9789819709021

Compound property assays are an important part of drug development, but incomplete data may occur for a variety of reasons. To deal with these incomplete data and improve the success rate of drug development, researchers often need to effectively impute the missing data. Therefore, this paper proposes a gene expression programming-based method, called GEP-CPI, for imputing missing compound property assay data. In GEP-CPI, the missing data imputation model is expressed by the parse tree of a chromosome, and then the optimal missing data imputation model is mined by iterative evolution of the chromosome population. Experimental results on three compound property assay related datasets demonstrates that the proposed method generally outperforms the state-of-the-art methods in imputing missing data of compound property assays. © The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2024.

关键词： Trees (mathematics)

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T-GraphDTA: A Drug-Target Binding Affinity Prediction Framework Based on Protein Pre-training Model and Hybrid Graph Neural Network 1st

T-GraphDTA: A Drug-Target Binding Affinity Prediction Framew...

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1st International Conference on Applied Intelligence, ICAI 2023

作者： Wu, Yijia Lin, Yanmei Peng, Yuzhong Zhang, Ru Cai, Li Key Lab of Scientific Computing and Intelligent Information Processing Nanning Normal University Guangxi Nanning530000 China Guangxi Academy of Sciences Guangxi Nanning530007 China School of Software Yunnan University Yunnan Kunming650000 China

ISBN: (纸本)9789819709021

Drug-target affinity (DTA) prediction is an important task in computer-aided drug design and drug repositioning, which can speed up drug development and reduce resource consumption. Researchers have explored some deep learning-based methods to improve DTA prediction in recent years, demonstrating the great potential of deep learning in DTA prediction. They have developed several molecular representation learning methods for drug compounds in deep learning-based DTA prediction methods. However, most of the existing deep learning-based DTA prediction models use one-hot encoding-based methods for protein representation learning, or use recursive neural network-based methods for learning feature representations from raw protein sequences. These may affect the ability of the DTA prediction model to learn the potential features of the protein, thus weakening the predictive power of the model. To tackle this problem, we developed a novel protein pre-training method (PTR) for protein representation learning, then proposed a DTA prediction framework, called Transformer-Graph drug-target affinity prediction (T-GraphDTA), based on PTR and hybrid graph neural network. The hybrid graph neural network is mainly responsible for molecular presentation learning of drugs. Extensive experiments were conducted on four benchmark datasets of drug-target binding affinity, comparing T-GraphDTA against state-of-the-art models. The experimental results show that T-GraphDTA achieves significantly better performance than state-of-the-art models on all four benchmark datasets. It indicates that T-GraphDTA is expected to be an excellent practical tool for predicting the affinity of drug-target pairs. © The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2024.

关键词： Forecasting

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A Sentiment Classification Model Based on Syntactic Graph Attention Networks 24

A Sentiment Classification Model Based on Syntactic Graph At...

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2024 International Conference on intelligent Education and Computer Technology, IECT 2024

作者： Cheng, Yan Zhou, Ziwei School of Computer Information Engineering Jiangxi Normal University Jiangxi Nanchang330022 China Prov. Key Lab. of Intelligent Information Processing and Affective Computing of Jiangxi Province 330022 China School of Software Jiangxi Normal University 330022 China

ISBN: (纸本)9798400709920

Text Sentiment Classification, a significant task in Natural Language processing, aims to comprehend user needs and expectations by categorizing the sentiments of texts posted on platforms. Despite their utility, existing models for this task do not fully account for the influence of contextual and syntactic text features on sentiment classification. To address these issues, a text sentiment classification model based on syntactic graph attention network is proposed in this study. The model begins by extracting the contextual features of a sentence using BiGRU. It then generates a syntactic graph through a syntactic analyzer, using the contextual features as the node features of the syntactic graph. A syntactic graph attention network is constructed to extract the syntactic features of the syntactic graph. These feature vectors are then input into a softmax function to achieve text sentiment classification. Experimental results indicate that the proposed model outperforms similar models on two public datasets in terms of classification accuracy, thus demonstrating its effectiveness. © 2024 ACM.

关键词： Syntactics

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AUCSeg: AUC-oriented Pixel-level Long-tail Semantic Segmentation 38

AUCSeg: AUC-oriented Pixel-level Long-tail Semantic Segmenta...

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38th Conference on Neural information processing Systems, NeurIPS 2024

作者： Han, Boyu Xu, Qianqian Yang, Zhiyong Bao, Shilong Wen, Peisong Jiang, Yangbangyan Huang, Qingming Key Lab. of Intelligent Information Processing Institute of Computing Technology CAS China School of Computer Science and Tech. University of Chinese Academy of Sciences China Peng Cheng Laboratory China Key Laboratory of Big Data Mining and Knowledge Management CAS China

The Area Under the ROC Curve (AUC) is a well-known metric for evaluating instance-level long-tail learning problems. In the past two decades, many AUC optimization methods have been proposed to improve model performance under long-tail distributions. In this paper, we explore AUC optimization methods in the context of pixel-level long-tail semantic segmentation, a much more complicated scenario. This task introduces two major challenges for AUC optimization techniques. On one hand, AUC optimization in a pixel-level task involves complex coupling across loss terms, with structured inner-image and pairwise inter-image dependencies, complicating theoretical analysis. On the other hand, we find that mini-batch estimation of AUC loss in this case requires a larger batch size, resulting in an unaffordable space complexity. To address these issues, we develop a pixel-level AUC loss function and conduct a dependency-graph-based theoretical analysis of the algorithm's generalization ability. Additionally, we design a Tail-Classes Memory Bank (T-Memory Bank) to manage the significant memory demand. Finally, comprehensive experiments across various benchmarks confirm the effectiveness of our proposed AUCSeg method. The code is availab.e at https://***/boyuh/AUCSeg. © 2024 Neural information processing systems foundation. All rights reserved.

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ETS: An Error Tolerable System for Coreference Resolution 15

ETS: An Error Tolerable System for Coreference Resolution

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15th Conference on Computational Natural Language Learning, CoNLL 2011

作者： Xiong, Hao Song, Linfeng Meng, Fandong Liu, Yang Liu, Qun Lü, Yajuan Key Lab. of Intelligent Information Processing Institute of Computing Technology Chinese Academy of Sciences P.O. Box 2704 Beijing100190 China

ISBN: (纸本)9781937284084

This paper presents our error tolerable system for coreference resolution in CoNLL-2011(Pradhan et al., 2011) shared task (closed track). Different from most previous reported work, we detect mention candidates based on packed forest instead of single parse tree, and we use beam search algorithm based on the Bell Tree to create entities. Experimental results show that our methods achieve promising results on the development set. © 2011 Association for Computational Linguistics

关键词： Forestry

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Classification Between Rumors and Explanations of Rumors Based on Common and Difference Subsequences of Sentences 12th

Classification Between Rumors and Explanations of Rumors Bas...

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12th IFIP TC 12 International Conference on intelligent information processing, IIP 2022

作者： Sun, Xiaoping Zhang, Junsheng Sang, Yufei Key Lab of Intelligent Information Processing Institute of Computing Technology Chinese Academy of Sciences Beijing China Institute of Scientific and Technical Information of China Beijing China School of Economics Capital University of Economics and Business Beijing China

ISBN: (纸本)9783031039478

Preventing explosion of rumors on the Internet asks for a quick automatic detection mechanism that can detect rumors according to the given true information. Previous automatic rumors detection models are mainly built by training a supervised classification model on a lab.led dataset containing rumor samples and true information samples. However, in many real cases, there is only one short piece of availab.e true information sample given by an authority in form of an explanation or a correction of a rumor. The explanation sample is often short and very similar to rumor samples, making it difficult to train a discriminative classifier to check whether a piece of information is a rumor or an explanation of rumors. It is necessary to build a model to detect whether a short text is a rumor text or an explanation of rumors, which can be used to as evidences for detecting and refuting rumors. In this paper, we presented a sentence preprocessing method that extracts the leftmost longest common sequence to obtain the common and difference subsequences between the rumor text and its explanation text to compose samples and train a supervised model for classification between rumors and explanation of rumors. Experiments show the effectiveness of the proposed method. © 2022, IFIP International Federation for information processing.

关键词： Classification (of information)

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Weighted ROC curve in cost space: extending AUC to cost-sensitive learning 23

Weighted ROC curve in cost space: extending AUC to cost-sens...

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Proceedings of the 37th International Conference on Neural information processing Systems

作者： Huiyang Shao Qianqian Xu Zhiyong Yang Peisong Wen Peifeng Gao Qingming Huang Key Lab. of Intelligent Information Processing Institute of Computing Tech. CAS and School of Computer Science and Tech. University of Chinese Academy of Sciences Key Lab. of Intelligent Information Processing Institute of Computing Tech. CAS School of Computer Science and Tech. University of Chinese Academy of Sciences School of Computer Science and Tech. University of Chinese Academy of Sciences and Key Lab. of Intelligent Information Processing Institute of Computing Tech. CAS and BDKM University of Chinese Academy of Sciences

In this paper, we aim to tackle flexible cost requirements for long-tail datasets, where we need to construct a (1) cost-sensitive and (2) class-distribution robust learning framework. The misclassification cost and the area under the ROC curve (AUC) are popular metrics for (1) and (2), respectively. However, limited by their formulations, models trained with AUC are not well-suited for cost-sensitive decision problems, and models trained with fixed costs are sensitive to the class distribution shift. To address this issue, we present a new setting where costs are treated like a dataset to deal with arbitrarily unknown cost distributions. Moreover, we propose a novel weighted version of AUC where the cost distribution can be integrated into its calculation through decision thresholds. To formulate this setting, we propose a novel bilevel paradigm to bridge weighted AUC (WAUC) and cost. The inner-level problem approximates the optimal threshold from sampling costs, and the outer-level problem minimizes the WAUC loss over the optimal threshold distribution. To optimize this bilevel paradigm, we employ a stochastic optimization algorithm (SACCL) which enjoys the same convergence rate (O(ε-4)) with the SGD. Finally, experiment results show that our algorithm performs better than existing cost-sensitive learning methods and two-stage AUC decisions approach.

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Suppress Content Shift: Better Diffusion Features via Off-the-Shelf Generation Techniques 38

Suppress Content Shift: Better Diffusion Features via Off-th...

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38th Conference on Neural information processing Systems, NeurIPS 2024

作者： Meng, Benyuan Xu, Qianqian Wang, Zitai Yang, Zhiyong Cao, Xiaochun Huang, Qingming Institute of Information Engineering CAS China School of Cyber Security University of Chinese Academy of Sciences China Key Lab. of Intelligent Information Processing Institute of Computing Technology CAS China Peng Cheng Laboratory China School of Computer Science and Tech. University of Chinese Academy of Sciences China School of Cyber Science and Tech. Shenzhen Campus of Sun Yat-sen University China Key Laboratory of Big Data Mining and Knowledge Management CAS China

Diffusion models are powerful generative models, and this capability can also be applied to discrimination. The inner activations of a pre-trained diffusion model can serve as features for discriminative tasks, namely, diffusion feature. We discover that diffusion feature has been hindered by a hidden yet universal phenomenon that we call content shift. To be specific, there are content differences between features and the input image, such as the exact shape of a certain object. We locate the cause of content shift as one inherent characteristic of diffusion models, which suggests the broad existence of this phenomenon in diffusion feature. Further empirical study also indicates that its negative impact is not negligible even when content shift is not visually perceivable. Hence, we propose to suppress content shift to enhance the overall quality of diffusion features. Specifically, content shift is related to the information drift during the process of recovering an image from the noisy input, pointing out the possibility of turning off-the-shelf generation techniques into tools for content shift suppression. We further propose a practical guideline named GATE to efficiently evaluate the potential benefit of a technique and provide an implementation of our methodology. Despite the simplicity, the proposed approach has achieved superior results on various tasks and datasets, validating its potential as a generic booster for diffusion features. Our code is availab.e at this url. © 2024 Neural information processing systems foundation. All rights reserved.

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Not All Diffusion Model Activations Have Been Evaluated as Discriminative Features 38

Not All Diffusion Model Activations Have Been Evaluated as D...

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38th Conference on Neural information processing Systems, NeurIPS 2024

作者： Meng, Benyuan Xu, Qianqian Wang, Zitai Cao, Xiaochun Huang, Qingming Institute of Information Engineering CAS China School of Cyber Security University of Chinese Academy of Sciences China Key Lab. of Intelligent Information Processing Institute of Computing Technology CAS China Peng Cheng Laboratory China School of Cyber Science and Tech. Shenzhen Campus of Sun Yat-sen University China School of Computer Science and Tech. University of Chinese Academy of Sciences China Key Laboratory of Big Data Mining and Knowledge Management CAS China

Diffusion models are initially designed for image generation. Recent research shows that the internal signals within their backbones, named activations, can also serve as dense features for various discriminative tasks such as semantic segmentation. Given numerous activations, selecting a small yet effective subset poses a fundamental problem. To this end, the early study of this field performs a large-scale quantitative comparison of the discriminative ability of the activations. However, we find that many potential activations have not been evaluated, such as the queries and keys used to compute attention scores. Moreover, recent advancements in diffusion architectures bring many new activations, such as those within embedded ViT modules. Both combined, activation selection remains unresolved but overlooked. To tackle this issue, this paper takes a further step with a much broader range of activations evaluated. Considering the significant increase in activations, a full-scale quantitative comparison is no longer operational. Instead, we seek to understand the properties of these activations, such that the activations that are clearly inferior can be filtered out in advance via simple qualitative evaluation. After careful analysis, we discover three properties universal among diffusion models, enabling this study to go beyond specific models. On top of this, we present effective feature selection solutions for several popular diffusion models. Finally, the experiments across multiple discriminative tasks validate the superiority of our method over the SOTA competitors. Our code is availab.e at this url. © 2024 Neural information processing systems foundation. All rights reserved.

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Harnessing Hierarchical lab.l Distribution Variations in Test Agnostic Long-tail Recognition 41

Harnessing Hierarchical Label Distribution Variations in Tes...

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41st International Conference on Machine Learning, ICML 2024

作者： Yang, Zhiyong Xu, Qianqian Wang, Zitai Li, Sicong Han, Boyu Bao, Shilong Cao, Xiaochun Huang, Qingming School of Computer Science and Tech. University of Chinese Academy of Sciences China Key Lab. of Intelligent Information Processing Institute of Computing Tech. CAS China Institute of Information Engineering CAS China School of Cyber Security University of Chinese Academy of Sciences China School of Cyber Science and Tech. Shenzhen Campus of Sun Yat-sen University China BDKM University of Chinese Academy of Sciences China

This paper explores test-agnostic long-tail recognition, a challenging long-tail task where the test lab.l distributions are unknown and arbitrarily imbalanced. We argue that the variation in these distributions can be broken down hierarchically into global and local levels. The global ones reflect a broad range of diversity, while the local ones typically arise from milder changes, often focused on a particular neighbor. Traditional methods predominantly use a Mixture-of-Expert (MoE) approach, targeting a few fixed test lab.l distributions that exhibit substantial global variations. However, the local variations are left unconsidered. To address this issue, we propose a new MoE strategy, DirMixE, which assigns experts to different Dirichlet meta-distributions of the lab.l distribution, each targeting a specific aspect of local variations. Additionally, the diversity among these Dirichlet meta-distributions inherently captures global variations. This dual-level approach also leads to a more stable objective function, allowing us to sample different test distributions better to quantify the mean and variance of performance outcomes. Theoretically, we show that our proposed objective benefits from enhanced generalization by virtue of the variance-based regularization. Comprehensive experiments across multiple benchmarks confirm the effectiveness of DirMixE. The code is availab.e at https://***/scongl/DirMixE. Copyright 2024 by the author(s)

关键词： Benchmarking

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