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Electrochemical interfaces are of fundamental importance in electrocatalysis, batteries, and metal corrosion. Finite-field methods are one of most reliable approaches for modeling electrochemical interfaces in complete cells under realistic…

化学物理 · 物理学 2025-06-13 Chaoqiang Feng , Bin Jiang

In the past decade, deep neural networks have achieved significant progress in point cloud learning. However, collecting large-scale precisely-annotated training data is extremely laborious and expensive, which hinders the scalability of…

计算机视觉与模式识别 · 计算机科学 2024-06-18 Aoran Xiao , Xiaoqin Zhang , Ling Shao , Shijian Lu

AI models rely on annotated data to learn pattern and perform prediction. Annotation is usually a labor-intensive step that require associating labels ranging from a simple classification label to more complex tasks such as object…

计算机视觉与模式识别 · 计算机科学 2025-09-05 Safouane El Ghazouali , Umberto Michelucci

Many scientific fields, from medicine to seismology, rely on analyzing sequences of events over time to understand complex systems. Traditionally, machine learning models must be built and trained from scratch for each new dataset, which is…

机器学习 · 计算机科学 2026-01-21 David Berghaus , Patrick Seifner , Kostadin Cvejoski , Ramses J. Sanchez

Artificial intelligence and machine learning are reshaping how we approach scientific discovery, not by replacing established methods but by extending what researchers can probe, predict, and design. In this roadmap we provide a…

The "AI Scientist" paradigm is transforming scientific research by automating key stages of the research process, from idea generation to scholarly writing. This shift is expected to accelerate discovery and expand the scope of scientific…

人机交互 · 计算机科学 2026-02-05 Keyu Zhao , Fengli Xu , Yong Li , Tie-Yan Liu

Artificial intelligence research increasingly depends on prolonged cycles of reproduction, debugging, and iterative refinement to achieve State-Of-The-Art (SOTA) performance, creating a growing need for systems that can accelerate the full…

Sentiment analysis is often a crowdsourcing task prone to subjective labels given by many annotators. It is not yet fully understood how the annotation bias of each annotator can be modeled correctly with state-of-the-art methods. However,…

Crowdsourcing provides a practical way to obtain large amounts of labeled data at a low cost. However, the annotation quality of annotators varies considerably, which imposes new challenges in learning a high-quality model from the…

机器学习 · 计算机科学 2021-06-15 Zhendong Chu , Jing Ma , Hongning Wang

End-to-end learning has become a widely applicable and studied problem in training predictive ML models to be aware of their impact on downstream decision-making tasks. These end-to-end models often outperform traditional methods that…

机器学习 · 计算机科学 2025-05-19 Rares Cristian , Pavithra Harsha , Georgia Perakis , Brian Quanz

Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources, forcing researchers to act as manual workflow coordinators rather than scientists. Advances in AI leading to AI agents show…

Biomarker discovery is vital in advancing personalized medicine, offering insights into disease diagnosis, prognosis, and therapeutic efficacy. Traditionally, the identification and validation of biomarkers heavily depend on extensive…

机器学习 · 计算机科学 2024-09-25 Wangyang Ying , Dongjie Wang , Xuanming Hu , Ji Qiu , Jin Park , Yanjie Fu

Automated object detection has become increasingly valuable across diverse applications, yet efficient, high-quality annotation remains a persistent challenge. In this paper, we present the development and evaluation of a platform designed…

计算机视觉与模式识别 · 计算机科学 2025-03-28 Sönke Tenckhoff , Mario Koddenbrock , Erik Rodner

Artificial intelligence is undergoing a profound transition from a computational instrument to an autonomous originator of scientific knowledge. This emerging paradigm, the AI scientist, is architected to emulate the complete scientific…

人工智能 · 计算机科学 2026-01-21 Guiyao Tie , Pan Zhou , Lichao Sun

We address the problem of efficient phase diagram sampling by adopting active learning techniques from machine learning, and achieve an 80% reduction in the sample size (number of sampled statepoints) needed to establish the phase boundary…

计算物理 · 物理学 2018-03-12 Chengyu Dai , Isaac R. Bruss , Sharon C. Glotzer

A basic challenge in experimental physics is the extraction of information related to variables that are not directly measured. The challenge is particularly severe in quantum systems where one may be interested in correlations of operators…

量子气体 · 物理学 2026-04-13 Jackson Lee , Andrew J Millis

Artificial intelligence has demonstrated remarkable capability in predicting scientific properties, yet scientific discovery remains an inherently physical, long-horizon pursuit governed by experimental cycles. Most current computational…

The paper surveys automated scientific discovery, from equation discovery and symbolic regression to autonomous discovery systems and agents. It discusses the individual approaches from a "big picture" perspective and in context, but also…

人工智能 · 计算机科学 2026-05-01 Stefan Kramer , Mattia Cerrato , Jannis Brugger , Sašo Džeroski , Ross King

Phase-field methods offer a versatile computational framework for simulating large-scale morphological evolution. However, the applicability and predictability of phase-field models are inherently limited by their ad hoc nature, and there…

材料科学 · 物理学 2025-10-30 Jaehyeok Jin , David R. Reichman

In coherent optical orthogonal frequency-division multiplexing (CO-OFDM) fiber communications, a novel end-to-end learning framework to mitigate Laser Phase Noise (LPN) impairments is proposed in this paper. Inspired by Autoencoder (AE)…

信号处理 · 电气工程与系统科学 2025-06-24 Omar Alnaseri , Yassine Himeur