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Drug discovery is crucial for identifying candidate drugs for various diseases.However, its low success rate often results in a scarcity of annotations, posing a few-shot learning problem. Existing methods primarily focus on single-scale…

Machine Learning · Computer Science 2025-02-19 Ruifeng Li , Mingqian Li , Wei Liu , Yuhua Zhou , Xiangxin Zhou , Yuan Yao , Qiang Zhang , Hongyang Chen

Leaderboards are crucial in the machine learning (ML) domain for benchmarking and tracking progress. However, creating leaderboards traditionally demands significant manual effort. In recent years, efforts have been made to automate…

Machine Learning · Computer Science 2026-02-02 Roelien C. Timmer , Necva Bölücü , Stephen Wan

Machine learning (ML) can facilitate efficient thermoelectric (TE) material discovery essential to address the environmental crisis. However, ML models often suffer from poor experimental generalizability despite high metrics. This study…

Materials Science · Physics 2026-02-03 Shoeb Athar , Adrien Mecibah , Philippe Jund

Evaluating the performance of Multi-modal Large Language Models (MLLMs), integrating both point cloud and language, presents significant challenges. The lack of a comprehensive assessment hampers determining whether these models truly…

Computer Vision and Pattern Recognition · Computer Science 2024-04-24 Junjie Zhang , Tianci Hu , Xiaoshui Huang , Yongshun Gong , Dan Zeng

High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…

Enterprise meeting environments require AI assistants that handle diverse operational tasks, from rapid fact checking during live discussions to cross meeting analysis for strategic planning, under strict latency, cost, and privacy…

Artificial Intelligence · Computer Science 2026-02-04 Yuelin Hu , Jun Xu , Bingcong Lu , Zhengxue Cheng , Hongwei Hu , Ronghua Wu , Li Song

Accelerated discovery with machine learning (ML) has begun to provide the advances in efficiency needed to overcome the combinatorial challenge of computational materials design. Nevertheless, ML-accelerated discovery both inherits the…

Materials Science · Physics 2022-05-09 Chenru Duan , Fang Liu , Aditya Nandy , Heather J. Kulik

As machine learning (ML) systems increasingly permeate high-stakes settings such as healthcare, transportation, military, and national security, concerns regarding their reliability have emerged. Despite notable progress, the performance of…

Machine Learning · Computer Science 2023-08-01 Anthony Corso , David Karamadian , Romeo Valentin , Mary Cooper , Mykel J. Kochenderfer

Mechanical metamaterials enable precise control over structural properties, but their design method remains challenging due to their complex structure. Although additive manufacturing has expanded geometric freedom, navigating this vast and…

Soft Condensed Matter · Physics 2025-09-18 Kijung Kim , Seungwook Hong , Wonjun Jung , Wooseok Kim , Namjung Kim , Howon Lee

Deep learning (DL) frameworks are essential to DL-based software systems, and framework bugs may lead to substantial disasters, thus requiring effective testing. Researchers adopt DL models or single interfaces as test inputs and analyze…

Software Engineering · Computer Science 2025-07-08 Yanzhou Mu , Juan Zhai , Chunrong Fang , Xiang Chen , Zhixiang Cao , Peiran Yang , Kexin Zhao , An Guo , Zhenyu Chen

Universal multimodal embedding models have achieved great success in capturing semantic relevance between queries and candidates. However, current methods either condense queries and candidates into a single vector, potentially limiting the…

Information Retrieval · Computer Science 2026-04-08 Zilin Xiao , Qi Ma , Mengting Gu , Chun-cheng Jason Chen , Xintao Chen , Vicente Ordonez , Vijai Mohan

Model merging has attracted significant attention as a powerful paradigm for model reuse, facilitating the integration of task-specific models into a singular, versatile framework endowed with multifarious capabilities. Previous studies,…

Machine Learning · Computer Science 2025-01-03 Zhengqi Xu , Han Zheng , Jie Song , Li Sun , Mingli Song

Neural Networks have become one of the most successful universal machine learning algorithms. They play a key role in enabling machine vision and speech recognition for example. Their computational complexity is enormous and comes along…

Hardware Architecture · Computer Science 2019-11-19 Michaela Blott , Lisa Halder , Miriam Leeser , Linda Doyle

Even though machine learning algorithms already play a significant role in data science, many current methods pose unrealistic assumptions on input data. The application of such methods is difficult due to incompatible data formats, or…

Machine Learning · Computer Science 2022-06-09 Simon Mandlik , Tomas Pevny

Machine learning (ML) has become a vital part in many aspects of our daily life. However, building well performing machine learning applications requires highly specialized data scientists and domain experts. Automated machine learning…

Machine Learning · Computer Science 2021-01-27 Marc-André Zöller , Marco F. Huber

Machine Learning (ML) methods have seen widespread adoption in seismology in recent years. The ability of these techniques to efficiently infer the statistical properties of large datasets often provides significant improvements over…

Information seeking is a fundamental requirement for humans. However, existing LLM agents rely heavily on open-web search, which exposes two fundamental weaknesses: online content is noisy and unreliable, and many real-world tasks require…

Computation and Language · Computer Science 2025-10-07 Yaxin Du , Yuanshuo Zhang , Xiyuan Yang , Yifan Zhou , Cheng Wang , Gongyi Zou , Xianghe Pang , Wenhao Wang , Menglan Chen , Shuo Tang , Zhiyu Li , Feiyu Xiong , Siheng Chen

The development of high-quality text embeddings is increasingly drifting toward an exclusionary future, defined by three critical barriers: prohibitive computational costs, a narrow linguistic focus that neglects most of the world's…

Computation and Language · Computer Science 2026-05-15 Ziyin Zhang , Zihan Liao , Hang Yu , Peng Di , Rui Wang

Designing functional materials requires a deep search through multidimensional spaces for system parameters that yield desirable material properties. For cases where conventional parameter sweeps or trial-and-error sampling are impractical,…

Materials Science · Physics 2022-03-22 Sanket Kadulkar , Zachary M. Sherman , Venkat Ganesan , Thomas M. Truskett

The development of autonomous machine learning (ML) agents capable of end-to-end data science workflows represents a significant frontier in artificial intelligence. These agents must orchestrate complex sequences of data analysis, feature…

Machine Learning · Computer Science 2026-02-24 Yaswanth Chittepu , Raghavendra Addanki , Tung Mai , Anup Rao , Branislav Kveton
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