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LLMs have demonstrated strong mathematical reasoning abilities by leveraging reinforcement learning with long chain-of-thought, yet they continue to struggle with theorem proving due to the lack of clear supervision signals when solely…

Microfluidic devices have emerged as powerful tools in various laboratory applications, but the complexity of their design limits accessibility for many practitioners. While progress has been made in microfluidic design automation (MFDA), a…

Artificial Intelligence · Computer Science 2026-02-25 Jasper Davidson , Skylar Stockham , Allen Boston , Ashton Snelgrove , Valerio Tenace , Pierre-Emmanuel Gaillardon

Classical force fields (FF) based on machine learning (ML) methods show great potential for large scale simulations of materials. MLFFs have hitherto largely been designed and fitted for specific systems and are not usually transferable to…

Materials Science · Physics 2023-03-06 Kamal Choudhary , Brian DeCost , Lily Major , Keith Butler , Jeyan Thiyagalingam , Francesca Tavazza

Autoformalization, the process of transforming informal mathematical language into formal specifications and proofs remains a difficult task for state-of-the-art (large) language models. Existing works point to competing explanations for…

Artificial Intelligence · Computer Science 2025-02-25 Willy Chan , Michael Souliman , Jakob Nordhagen , Brando Miranda , Elyas Obbad , Kai Fronsdal Sanmi Koyejo

This paper tackles the problem of formulating and proving the completeness of focused-like proof systems in an automated fashion. Focusing is a discipline on proofs which structures them into phases in order to reduce proof search…

Logic in Computer Science · Computer Science 2015-11-16 Vivek Nigam , Giselle Reis , Leonardo Lima

Large language models (LLMs) are increasingly applied to materials science questions, including literature comprehension, property prediction, materials discovery and alloy design. At the same time, a wide range of physics-based…

Materials Science · Physics 2025-12-17 Siyu Liu , Bo Hu , Beilin Ye , Jiamin Xu , David J. Srolovitz , Tongqi Wen

Search-optimization problems are plentiful in scientific and engineering domains. Artificial intelligence has long contributed to the development of search algorithms and declarative programming languages geared towards solving and modeling…

Artificial Intelligence · Computer Science 2022-06-17 Yuliya Lierler

This paper deals with improving querying large language models (LLMs). It is well-known that without relevant contextual information, LLMs can provide poor quality responses or tend to hallucinate. Several initiatives have proposed…

Computation and Language · Computer Science 2025-07-14 Nripesh Niketan , Hadj Batatia

The advent of Federated Learning (FL) has ignited a new paradigm for parallel and confidential decentralized Machine Learning (ML) with the potential of utilizing the computational power of a vast number of IoT, mobile and edge devices…

Machine Learning · Computer Science 2022-12-06 Leon Witt , Mathis Heyer , Kentaroh Toyoda , Wojciech Samek , Dan Li

Machine learning force fields (MLFFs) are gradually evolving towards enabling molecular dynamics simulations of molecules and materials with ab initio accuracy but at a small fraction of the computational cost. However, several challenges…

We introduce DafnyBench, the largest benchmark of its kind for training and evaluating machine learning systems for formal software verification. We test the ability of LLMs such as GPT-4 and Claude 3 to auto-generate enough hints for the…

Large language models (LLMs) have demonstrated remarkable capabilities, yet they also introduce novel security challenges. For instance, prompt jailbreaking attacks involve adversaries crafting sophisticated prompts to elicit responses from…

Artificial Intelligence · Computer Science 2025-09-30 Zhaoqi Wang , Daqing He , Zijian Zhang , Xin Li , Liehuang Zhu , Meng Li , Jiamou Liu

In the digital era, the exponential growth of scientific publications has made it increasingly difficult for researchers to efficiently identify and access relevant work. This paper presents an automated framework for research article…

Information Retrieval · Computer Science 2025-10-08 Shadikur Rahman , Hasibul Karim Shanto , Umme Ayman Koana , Syed Muhammad Danish

We introduce ProofNet, a benchmark for autoformalization and formal proving of undergraduate-level mathematics. The ProofNet benchmarks consists of 371 examples, each consisting of a formal theorem statement in Lean 3, a natural language…

Computation and Language · Computer Science 2023-02-27 Zhangir Azerbayev , Bartosz Piotrowski , Hailey Schoelkopf , Edward W. Ayers , Dragomir Radev , Jeremy Avigad

Mathematicians and computer scientists are increasingly using proof assistants to formalize and check correctness of complex proofs. This is a non-trivial task in itself, however, with high demands on human expertise. Can we lower the bar…

Artificial Intelligence · Computer Science 2026-01-13 Yousef Alhessi , Sólrún Halla Einarsdóttir , George Granberry , Emily First , Moa Johansson , Sorin Lerner , Nicholas Smallbone

This paper presents an AI-driven approach to enhance math learning in a modern Learning Management System (LMS) by recommending similar math questions. Deep embeddings for math questions are generated using Meta's…

Machine Learning · Computer Science 2025-04-22 Justus Råmunddal

Large language models (LLMs) have shown remarkable promise but remain challenging to continually improve through traditional finetuning, particularly when integrating capabilities from other specialized LLMs. Popular methods like ensemble…

Computation and Language · Computer Science 2025-06-02 Zhenglun Kong , Zheng Zhan , Shiyue Hou , Yifan Gong , Xin Meng , Pengwei Sui , Peiyan Dong , Xuan Shen , Zifeng Wang , Pu Zhao , Hao Tang , Stratis Ioannidis , Yanzhi Wang

Large language models (LLMs) increasingly excel at mathematical reasoning, but their unreliability limits their utility in mathematics research. A mitigation is using LLMs to generate formal proofs in languages like Lean. We perform the…

Growing renewable penetration introduces substantial uncertainty into power system operations, necessitating frequent adaptation of dispatch objectives and constraints and challenging expertise-intensive, near-real-time modeling workflows.…

Systems and Control · Electrical Eng. & Systems 2026-05-25 Chao Shen , Zihan Guo , Xu Wan , Zhenghao Yang , Yifan Zhang , Wengi Huang , Jie Song , Zongyan Zhang , Mingyang Sun

Emerging multimodal large language models (MLLMs) exhibit great potential for chart question answering (CQA). Recent efforts primarily focus on scaling up training datasets (i.e., charts, data tables, and question-answer (QA) pairs) through…

Computer Vision and Pattern Recognition · Computer Science 2024-08-13 Xingchen Zeng , Haichuan Lin , Yilin Ye , Wei Zeng