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Generative AI is reshaping how computing systems are designed, optimized, and built, yet research remains fragmented across software, architecture, and chip design communities. This paper takes a cross-stack perspective, examining how…

Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are…

机器学习 · 计算机科学 2025-06-27 Minh-Hao Van , Prateek Verma , Chen Zhao , Xintao Wu

Artificial intelligence (AI) research today is largely driven by ever-larger neural network models trained on graphics processing units (GPUs). This paradigm has yielded remarkable progress, but it also risks entrenching a hardware lottery…

人工智能 · 计算机科学 2025-11-17 Bipin Rajendran , Osvaldo Simeone , Bashir M. Al-Hashimi

Artificial intelligence (AI) in the form of deep learning bears promise for drug discovery and chemical biology, $\textit{e.g.}$, to predict protein structure and molecular bioactivity, plan organic synthesis, and design molecules…

生物大分子 · 定量生物学 2022-12-29 Rıza Özçelik , Derek van Tilborg , José Jiménez-Luna , Francesca Grisoni

Artificial intelligence (AI) is intrinsically data-driven. It calls for the application of statistical concepts through human-machine collaboration during generation of data, development of algorithms, and evaluation of results. This paper…

机器学习 · 统计学 2017-12-12 Bin Yu , Karl Kumbier

The rapid expansion of scientific data has widened the gap between analytical capability and research intent. Existing AI-based analysis tools, ranging from AutoML frameworks to agentic research assistants, either favor automation over…

人工智能 · 计算机科学 2025-10-14 Chuke Chen , Biao Luo , Nan Li , Boxiang Wang , Hang Yang , Jing Guo , Ming Xu

Designing plausible network models typically requires scholars to form a priori intuitions on the key drivers of network formation. Oftentimes, these intuitions are supported by the statistical estimation of a selection of network evolution…

社会与信息网络 · 计算机科学 2019-07-01 Telmo Menezes , Camille Roth

This study presents, for the first time, a conceptual and formal model of postsingular science (PSS), which analyses and interprets changes in scientific knowledge driven by accelerating technological progress, singularity, and the…

物理与社会 · 物理学 2025-01-10 Eldar Knar

Artificial Intelligence (AI) is beginning to transform the research process by automating the discovery of new solutions. This shift depends on the availability of reliable verifiers, which AI-driven approaches require to validate candidate…

A recurring pattern in "reasoning without training" is that base LLMs already assign non-trivial probability mass to correct multi-step solutions; the bottleneck is locating these modes efficiently at inference time. Power sampling provides…

人工智能 · 计算机科学 2026-05-13 Tu Nguyen , Matthieu Zimmer , Rasul Tutunov , Xiaotong Ji , Haitham Bou Ammar

Advances in AI agent capabilities have outpaced users' ability to meaningfully oversee their execution. AI agents can perform sophisticated, multi-step knowledge work autonomously from start to finish, yet this process remains effectively…

Agentic AI represents a transformative shift in artificial intelligence, but its rapid advancement has led to a fragmented understanding, often conflating modern neural systems with outdated symbolic models -- a practice known as conceptual…

人工智能 · 计算机科学 2025-10-30 Mohamad Abou Ali , Fadi Dornaika

The role of Artificial Intelligence (AI) is growing in every stage of drug development. Nevertheless, a major challenge in drug discovery AI remains: Drug pharmacokinetic (PK) and Drug-Target Interaction (DTI) datasets collected in…

定量方法 · 定量生物学 2025-10-27 Bing Hu , Jong-Hoon Park , Helen Chen , Young-Rae Cho , Anita Layton

Current AI agent frameworks commit early to a single interaction protocol, a fixed tool integration strategy, and static user models, limiting their deployment across diverse interaction paradigms. To address these constraints, we introduce…

人工智能 · 计算机科学 2026-03-25 Alfred Shen , Aaron Shen

Autonomous multi-agent AI systems are poised to transform various industries, particularly software development and knowledge work. Understanding current perceptions among professionals is crucial for anticipating adoption challenges,…

计算机与社会 · 计算机科学 2025-06-04 Nikola Balic

Discovering scaling laws for predicting model performance at scale is a fundamental and open-ended challenge, mostly reliant on slow, case specific human experimentation. To investigate the potential for LLMs to automate this process, we…

The design of novel protein sequences with targeted functionalities underpins a central theme in protein engineering, impacting diverse fields such as drug discovery and enzymatic engineering. However, navigating this vast combinatorial…

生物大分子 · 定量生物学 2024-02-19 Yiheng Zhu , Zitai Kong , Jialu Wu , Weize Liu , Yuqiang Han , Mingze Yin , Hongxia Xu , Chang-Yu Hsieh , Tingjun Hou

Traditionally, cognitive and computer scientists have viewed intelligence solipsistically, as a property of unitary agents devoid of social context. Given the success of contemporary learning algorithms, we argue that the bottleneck in…

人工智能 · 计算机科学 2024-05-28 Edgar A. Duéñez-Guzmán , Suzanne Sadedin , Jane X. Wang , Kevin R. McKee , Joel Z. Leibo

Society's capacity for algorithmic problem-solving has never been greater. Artificial Intelligence is now applied across more domains than ever, a consequence of powerful abstractions, abundant data, and accessible software. As capabilities…

机器学习 · 统计学 2024-08-20 Kris Sankaran