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Goal-directed molecular generation requires satisfying heterogeneous constraints such as protein--ligand compatibility and multi-objective drug-like properties, yet existing methods often optimize these constraints in isolation, failing to…

机器学习 · 计算机科学 2026-04-14 Yanting Li , Zhuoyang Jiang , Enyan Dai , Lei Wang , Wen-Cai Ye , Li Liu

Token-based masked generative models are gaining popularity for their fast inference time with parallel decoding. While recent token-based approaches achieve competitive performance to diffusion-based models, their generation performance is…

机器学习 · 计算机科学 2023-04-05 Jaewoong Lee , Sangwon Jang , Jaehyeong Jo , Jaehong Yoon , Yunji Kim , Jin-Hwa Kim , Jung-Woo Ha , Sung Ju Hwang

Retrieval-Augmented Generation (RAG) systems enhance Large Language Models (LLMs) by retrieving relevant documents from external corpora before generating responses. This approach significantly expands LLM capabilities by leveraging vast,…

密码学与安全 · 计算机科学 2025-11-13 Haowei Wang , Rupeng Zhang , Junjie Wang , Mingyang Li , Yuekai Huang , Dandan Wang , Qing Wang

Identification of anomalous events within system logs constitutes a pivotal element within the frame- work of cybersecurity defense strategies. However, this process faces numerous challenges, including the management of substantial data…

密码学与安全 · 计算机科学 2025-10-21 Zeng Zhang , Wenjie Yin , Xiaoqi Li

Liquid Chromatography coupled to Mass Spectrometry (LC-MS) based methods are commonly used for high-throughput, quantitative measurements of the proteome (i.e. the set of all proteins in a sample at a given time). Targeted LC-MS produces…

计算机视觉与模式识别 · 计算机科学 2020-10-28 Leon L. Xu , Hannes L. Röst

Determining conditional independence (CI) relationships between random variables is a fundamental yet challenging task in machine learning and statistics, especially in high-dimensional settings. Existing generative model-based CI testing…

机器学习 · 计算机科学 2025-05-30 Yixin Ren , Chenghou Jin , Yewei Xia , Li Ke , Longtao Huang , Hui Xue , Hao Zhang , Jihong Guan , Shuigeng Zhou

As AI-generated images become increasingly photorealistic, distinguishing them from natural images poses a growing challenge. This paper presents a robust detection framework that leverages multiple uncertainty measures to decide whether to…

计算机视觉与模式识别 · 计算机科学 2025-12-23 Rahul Yumlembam , Biju Issac , Nauman Aslam , Eaby Kollonoor Babu , Josh Collyer , Fraser Kennedy

Category text generation receives considerable attentions since it is beneficial for various natural language processing tasks. Recently, the generative adversarial network (GAN) has attained promising performance in text generation,…

计算与语言 · 计算机科学 2023-08-03 Xinze Li , Kezhi Mao , Fanfan Lin , Zijian Feng

Deep clustering as an important branch of unsupervised representation learning focuses on embedding semantically similar samples into the identical feature space. This core demand inspires the exploration of contrastive learning and…

计算机视觉与模式识别 · 计算机科学 2024-04-16 Haifeng Xia , Hai Huang , Zhengming Ding

Anomaly detection is critical in industrial manufacturing for ensuring product quality and improving efficiency in automated processes. The scarcity of anomalous samples limits traditional detection methods, making anomaly generation…

计算机视觉与模式识别 · 计算机科学 2025-02-18 Xuan Tong , Yang Chang , Qing Zhao , Jiawen Yu , Boyang Wang , Junxiong Lin , Yuxuan Lin , Xinji Mai , Haoran Wang , Zeng Tao , Yan Wang , Wenqiang Zhang

Gas Chromatography coupled with Ion Mobility Spectrometry (GC-IMS) is a dual-separation analytical technique widely used for identifying components in gaseous samples by separating and analysing the arrival times of their constituent…

图像与视频处理 · 电气工程与系统科学 2025-09-12 Darius Couchard , Oscar Olarte , Rob Haelterman

The rapid advancement of generative AI has revolutionized image creation, enabling high-quality synthesis from text prompts while raising critical challenges for media authenticity. We present Ai-GenBench, a novel benchmark designed to…

计算机视觉与模式识别 · 计算机科学 2025-12-17 Lorenzo Pellegrini , Davide Cozzolino , Serafino Pandolfini , Davide Maltoni , Matteo Ferrara , Luisa Verdoliva , Marco Prati , Marco Ramilli

In this paper, we propose a general framework for testing the conditional distribution equality in a two-sample problem, which is most relevant to covariate shift and causal discovery. Our framework is built on neural network-based…

机器学习 · 计算机科学 2025-11-27 Siming Zheng , Tong Wang , Meifang Lan , Yuanyuan Lin

Molecular property prediction is a crucial task that guides the design of new compounds, including drugs and materials. While explainable artificial intelligence methods aim to scrutinize model predictions by identifying influential…

机器学习 · 计算机科学 2025-08-27 Łukasz Janisiów , Marek Kochańczyk , Bartosz Zieliński , Tomasz Danel

AI systems have been shown to produce unfair results for certain subgroups of population, highlighting the need to understand bias on certain sensitive attributes. Current research often falls short, primarily focusing on the subgroups…

机器学习 · 计算机科学 2024-06-10 Gezheng Xu , Qi Chen , Charles Ling , Boyu Wang , Changjian Shui

With the rise of social media, the spread of fake news has become a significant concern, potentially misleading public perceptions and impacting social stability. Although deep learning methods like CNNs, RNNs, and Transformer-based models…

社会与信息网络 · 计算机科学 2023-12-12 Shu Yin , Chao Gao , Zhen Wang

Intelligent anomaly detection in dynamic visual environments requires reconciling real-time performance with semantic interpretability. Conventional approaches address only fragments of this challenge. Reconstruction-based models capture…

计算机视觉与模式识别 · 计算机科学 2026-01-19 Tayyab Rehman , Giovanni De Gasperis , Aly Shmahell

Generative chemical language models (CLMs) have demonstrated strong capabilities in molecular design, yet their impact in drug discovery remains limited by the absence of reliable reward signals and the lack of interpretability in their…

机器学习 · 计算机科学 2025-07-15 Lu Zhu , Emmanuel Noutahi

To improve the identification of potential anomaly patterns in complex user behavior, this paper proposes an anomaly detection method based on a deep mixture density network. The method constructs a Gaussian mixture model parameterized by a…

机器学习 · 计算机科学 2025-05-20 Lu Dai , Wenxuan Zhu , Xuehui Quan , Renzi Meng , Sheng Chai , Yichen Wang

We present a novel deep generative semi-supervised framework for credit card fraud detection, formulated as time series classification task. As financial transaction data streams grow in scale and complexity, traditional methods often…

机器学习 · 统计学 2026-05-13 David Hirnschall