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Several fundamental changes in technology indicate domain-specific hardware and software co-design is the only path left. In this context, architecture, system, data management, and machine learning communities pay greater attention to…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-11-26 Wanling Gao , Jianfeng Zhan , Lei Wang , Chunjie Luo , Daoyi Zheng , Xu Wen , Rui Ren , Chen Zheng , Xiwen He , Hainan Ye , Haoning Tang , Zheng Cao , Shujie Zhang , Jiahui Dai

Metamaterials, engineered materials with architected structures across multiple length scales, offer unprecedented and tunable mechanical properties that surpass those of conventional materials. However, leveraging advanced machine learning…

Intellectual Property (IP) is a highly specialized domain that integrates technical and legal knowledge, making it inherently complex and knowledge-intensive. Recent advancements in LLMs have demonstrated their potential to handle…

To mitigate the potential misuse of large language models (LLMs), recent research has developed watermarking algorithms, which restrict the generation process to leave an invisible trace for watermark detection. Due to the two-stage nature…

Computation and Language · Computer Science 2024-07-02 Shangqing Tu , Yuliang Sun , Yushi Bai , Jifan Yu , Lei Hou , Juanzi Li

There are a few challenges related to the task of biomedical named entity recognition, which are: the existing methods consider a fewer number of biomedical entities (e.g., disease, symptom, proteins, genes); and these methods do not…

Computation and Language · Computer Science 2022-07-05 Shaina Raza , Brian Schwartz

Benchmarks are a cornerstone of modern machine learning, enabling reproducibility, comparison, and scientific progress. However, AI benchmarks are increasingly complex, requiring dynamic, AI-focused workflows. Rapid evolution in model…

Molecular representation learning is pivotal for various molecular property prediction tasks related to drug discovery. Robust and accurate benchmarks are essential for refining and validating current methods. Existing molecular property…

Chemical Physics · Physics 2024-06-27 Shikun Feng , Jiaxin Zheng , Yinjun Jia , Yanwen Huang , Fengfeng Zhou , Wei-Ying Ma , Yanyan Lan

As machine learning systems are increasingly deployed in high-stakes domains such as criminal justice, finance, and healthcare, the demand for interpretable and trustworthy models has intensified. Despite the proliferation of local…

Machine Learning · Computer Science 2025-06-10 James Afful

Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

Functional peptides have the potential to treat a variety of diseases. Their good therapeutic efficacy and low toxicity make them ideal therapeutic agents. Artificial intelligence-based computational strategies can help quickly identify new…

Quantitative Methods · Quantitative Biology 2023-09-27 Zebin Ma , Yonglin Zou , Xiaobin Huang , Wenjin Yan , Hao Xu , Jiexin Yang , Ying Zhang , Jinqi Huang

Peptides are essential in biological processes and therapeutics. In this study, we introduce Multi-Peptide, an innovative approach that combines transformer-based language models with Graph Neural Networks (GNNs) to predict peptide…

Quantitative Methods · Quantitative Biology 2024-07-08 Srivathsan Badrinarayanan , Chakradhar Guntuboina , Parisa Mollaei , Amir Barati Farimani

Deepfake detection automatically recognizes the manipulated medias through the analysis of the difference between manipulated and non-altered videos. It is natural to ask which are the top performers among the existing deepfake detection…

Computer Vision and Pattern Recognition · Computer Science 2024-03-14 Chenhao Lin , Jingyi Deng , Pengbin Hu , Chao Shen , Qian Wang , Qi Li

Labeled data are critical to modern machine learning applications, but obtaining labels can be expensive. To mitigate this cost, machine learning methods, such as transfer learning, semi-supervised learning and active learning, aim to be…

As AI-driven document understanding and processing tools become increasingly prevalent in real-world applications, the need for rigorous evaluation standards has grown increasingly urgent. Existing benchmarks and evaluations often focus on…

Foundation models have established unified representations for natural language processing, yet this paradigm remains largely unexplored for tabular data. Existing methods face fundamental limitations: LLM-based approaches lack…

Computation and Language · Computer Science 2026-05-07 Minjie Qiang , Mingming Zhang , Xiaoyi Bao , Xing Fu , Yu Cheng , Weiqiang Wang , Zhongqing Wang , Ningtao Wang

Metaproteomics are becoming widely used in microbiome research for gaining insights into the functional state of the microbial community. Current metaproteomics studies are generally based on high-throughput tandem mass spectrometry (MS/MS)…

Quantitative Methods · Quantitative Biology 2020-09-24 Xuan Guo , Shichao Feng

Autoscaling has become a baseline expectation for cloud-native big data processing, and the design space has expanded beyond rule-based heuristics to include learned controllers and, most recently, large language model (LLM) agents. Yet…

Information Retrieval · Computer Science 2026-05-13 Venkata Krishna Prasanth Budigi , Siri Chandana Sirigiri

Current pharmaceutical formulation development still strongly relies on the traditional trial-and-error approach by individual experiences of pharmaceutical scientists, which is laborious, time-consuming and costly. Recently, deep learning…

Machine Learning · Computer Science 2018-12-05 Yilong Yang , Zhuyifan Ye , Yan Su , Qianqian Zhao , Xiaoshan Li , Defang Ouyang

The development of scalable, representative, and widely adopted benchmarks for graph data systems have been a question for which answers has been sought for decades. We conduct an in-depth study of the existing literature on benchmarks for…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-09-23 Miyuru Dayarathna , Toyotaro Suzumura

We introduce cp3-bench, a tool for comparing symbolic regression algorithms which we make publicly available at https://github.com/CP3-Origins/cp3-bench. Currently, cp3-bench includes 12 symbolic regression algorithms which can be…

Instrumentation and Methods for Astrophysics · Physics 2025-01-23 Mattias E. Thing , Sofie M. Koksbang