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Identifying reaction conditions that are broadly applicable across diverse substrates is a longstanding challenge in chemical and pharmaceutical research. While many methods are available to generate conditions with acceptable performance,…

人工智能 · 计算机科学 2025-09-26 Yu Zhang , Ruijie Yu , Kaipeng Zeng , Ding Li , Feng Zhu , Xiaokang Yang , Yaohui Jin , Yanyan Xu

Although large language models (LLMs) have significant potential to advance chemical discovery, current LLMs lack core chemical knowledge, produce unreliable reasoning trajectories, and exhibit suboptimal performance across diverse chemical…

Despite their impressive performance, large language models (LLMs) such as ChatGPT are known to pose important risks. One such set of risks arises from misplaced confidence, whether over-confidence or under-confidence, that the models have…

计算与语言 · 计算机科学 2024-08-06 Ke Shen , Mayank Kejriwal

The instruction hierarchy, which establishes a priority order from system messages to user messages, conversation history, and tool outputs, is essential for ensuring consistent and safe behavior in language models (LMs). Despite its…

Ensuring content safety in large language models (LLMs) is essential for their deployment in real-world applications. However, existing safety guardrails are predominantly tailored for high-resource languages, leaving a significant portion…

计算与语言 · 计算机科学 2026-03-31 Lavish Bansal , Naman Mishra

As the performance of large language models (LLMs) continues to advance, their adoption in the medical domain is increasing. However, most existing risk evaluations largely focused on general safety benchmarks. In the medical applications,…

The increasing rate of road accidents worldwide results not only in significant loss of life but also imposes billions financial burdens on societies. Current research in traffic crash frequency modeling and analysis has predominantly…

计算机视觉与模式识别 · 计算机科学 2024-06-18 Zhiwen Fan , Pu Wang , Yang Zhao , Yibo Zhao , Boris Ivanovic , Zhangyang Wang , Marco Pavone , Hao Frank Yang

Large Language Models (LLMs) achieve competitive results compared to human experts in medical examinations. However, it remains a challenge to apply LLMs to complex clinical decision-making, which requires a deep understanding of medical…

Prompt design is a primary control interface for large language models (LLMs), yet standard evaluations largely reduce performance to answer correctness, obscuring why a prompt succeeds or fails and providing little actionable guidance. We…

计算与语言 · 计算机科学 2026-04-09 Minki Hong , Eunsoo Lee , Sohyun Park , Jihie Kim

$\textbf{Objectives}$: Large Language Models (LLMs) such as ChatGPT and Med-PaLM have excelled in various medical question-answering tasks. However, these English-centric models encounter challenges in non-English clinical settings,…

计算与语言 · 计算机科学 2024-01-31 Jiageng Wu , Xian Wu , Zhaopeng Qiu , Minghui Li , Yingying Zhang , Yefeng Zheng , Changzheng Yuan , Jie Yang

Large Language Models (LLMs) have become increasingly capable as tool-using agents, with benchmarks spanning diverse general agentic tasks. Yet rigorous evaluation of scientific tool use remains limited. In chemistry, recent agents can plan…

The rapid identification of medical emergencies through digital communication channels remains a critical challenge in modern healthcare delivery, particularly with the increasing prevalence of telemedicine. This paper presents a novel…

机器学习 · 计算机科学 2024-12-24 Ferit Akaybicen , Aaron Cummings , Lota Iwuagwu , Xinyue Zhang , Modupe Adewuyi

New models for natural language understanding have recently made an unparalleled amount of progress, which has led some researchers to suggest that the models induce universal text representations. However, current benchmarks are…

计算与语言 · 计算机科学 2022-04-05 Damien Sileo , Tim Van-de-Cruys , Camille Pradel , Philippe Muller

There is an unmet need to evaluate the language difficulty of short, conversational passages of text, particularly for training and filtering Large Language Models (LLMs). We introduce Ace-CEFR, a dataset of English conversational text…

计算与语言 · 计算机科学 2025-06-18 David Kogan , Max Schumacher , Sam Nguyen , Masanori Suzuki , Melissa Smith , Chloe Sophia Bellows , Jared Bernstein

We present COMET, a neural framework for training multilingual machine translation evaluation models which obtains new state-of-the-art levels of correlation with human judgements. Our framework leverages recent breakthroughs in…

计算与语言 · 计算机科学 2020-10-20 Ricardo Rei , Craig Stewart , Ana C Farinha , Alon Lavie

Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction…

人工智能 · 计算机科学 2025-08-08 Kartar Kumar Lohana Tharwani , Rajesh Kumar , Sumita , Numan Ahmed , Yong Tang

Emergencies and critical incidents often unfold rapidly, necessitating a swift and effective response. In this research, we introduce a novel approach to identify and classify emergency situations from social media posts and direct…

计算与语言 · 计算机科学 2024-08-02 Hakan T. Otal , M. Abdullah Canbaz

The paper introduces a framework for the evaluation of the encoding of factual scientific knowledge, designed to streamline the manual evaluation process typically conducted by domain experts. Inferring over and extracting information from…

计算与语言 · 计算机科学 2024-10-21 Magdalena Wysocka , Oskar Wysocki , Maxime Delmas , Vincent Mutel , Andre Freitas

Large Language Models (LLMs) have demonstrated impressive capabilities across various specialist domains and have been integrated into high-stakes areas such as medicine. However, as existing medical-related benchmarks rarely stress-test…

计算与语言 · 计算机科学 2026-03-26 Lin Yang , Yuancheng Yang , Xu Wang , Changkun Liu , Haihua Yang

Large language models (LLMs) are possessed of numerous beneficial capabilities, yet their potential inclination harbors unpredictable risks that may materialize in the future. We hence propose CRiskEval, a Chinese dataset meticulously…

计算与语言 · 计算机科学 2024-06-10 Ling Shi , Deyi Xiong