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Large language models (LLMs) have demonstrated an unprecedented ability to perform complex tasks in multiple domains, including mathematical and scientific reasoning. We demonstrate that with carefully designed prompts, LLMs can accurately…

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

The simulation of various properties of quantum field theories is rapidly becoming a testing ground for demonstrating the prowess of quantum algorithms. Some examples include the preparation of ground states, as well as the investigation of…

High Energy Physics - Lattice · Physics 2025-07-31 Sandip Maiti , Debasish Banerjee , Bipasha Chakraborty , Emilie Huffman

Recent work shows overwhelming evidence that LLMs, even those trained to scale their reasoning trace, perform unsatisfactorily when solving planning problems too complex. Whether the same conclusion holds for LLM formalizers that generate…

Computation and Language · Computer Science 2026-03-26 Owen Jiang , Cassie Huang , Ashish Sabharwal , Li Zhang

The integration of Formal Verification tools with Large Language Models (LLMs) offers a path to scale software verification beyond manual workflows. However, current methods remain unreliable: without a solid theoretical footing, the…

Artificial Intelligence · Computer Science 2025-12-18 PIerre Dantas , Lucas Cordeiro , Youcheng Sun , Waldir Junior

Quantum data loading plays a central role in quantum algorithms and quantum information processing. Many quantum algorithms hinge on the ability to prepare arbitrary superposition states as a subroutine, with claims of exponential speedups…

Quantum Physics · Physics 2025-09-25 Chun-Tse Li , Hao-Chung Cheng

Quantum link models (QLMs) are generalizations of Wilson's lattice gauge theory formulated with finite-dimensional link Hilbert spaces. In certain cases, the non-Abelian Gauss Law constraint can be exactly solved, and the gauge invariant…

High Energy Physics - Lattice · Physics 2024-12-16 Graham Van Goffrier , Debasish Banerjee , Bipasha Chakraborty , Emilie Huffman , Sandip Maiti

Nonlinear spectroscopy is a cornerstone of quantum science, providing unique access to multi-point correlations, quantum coherence, and couplings that are invisible to linear methods. However, classical simulation of these phenomena is…

Quantum Physics · Physics 2026-04-20 Long Xiong , Xiaoyang Wang , Xiaoxia Cai , Xiao Yuan

Configuring variational quantum algorithms for combinatorial optimization remains a difficult, expert-driven process requiring coordinated choices over solver family, ansatz, objective, and optimizer. We present AutoQResearch, an LLM-guided…

Quantum Physics · Physics 2026-04-28 Monit Sharma , Hoong Chuin Lau

Motivated by far-reaching applications ranging from quantum simulations of complex processes in physics and chemistry to quantum information processing, a broad effort is currently underway to build large-scale programmable quantum systems.…

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

Machine Learning · Computer Science 2025-05-23 Ziqing Wang , Kexin Zhang , Zihan Zhao , Yibo Wen , Abhishek Pandey , Han Liu , Kaize Ding

Understanding the high-level conceptual structure of quantum algorithms from their low-level circuit representations is a critical task for verification, debugging, and education. While traditional numerical simulators can calculate output…

Quantum Physics · Physics 2026-03-31 Min Chen , Jinglei Cheng , Pingzhi Li , Haoran Wang , Tianlong Chen , Junyu Liu

Large Audio Language Models (LALM) combine the audio perception models and the Large Language Models (LLM) and show a remarkable ability to reason about the input audio, infer the meaning, and understand the intent. However, these systems…

Audio and Speech Processing · Electrical Eng. & Systems 2024-11-26 Saurabhchand Bhati , Yuan Gong , Leonid Karlinsky , Hilde Kuehne , Rogerio Feris , James Glass

Despite the growing prevalence of large language model (LLM) architectures, a crucial concern persists regarding their energy and power consumption, which still lags far behind the remarkable energy efficiency of the human brain. Recent…

Neural and Evolutionary Computing · Computer Science 2024-07-02 Malyaban Bal , Yi Jiang , Abhronil Sengupta

Large language models (LLMs) achieve strong performance across diverse tasks, largely driven by high-quality web data used in pre-training. However, recent studies indicate this data source is rapidly depleting. Synthetic data emerges as a…

We implement and characterize a numerical algorithm inspired by the $s$-source framework [Phys. Rev.~B 93, 045127 (2016)] for building a quantum many-body ground state wavefunction on a lattice of size $2L$ by applying adiabatic evolution…

Strongly Correlated Electrons · Physics 2020-05-06 Christopher T. Olund , Maxwell Block , Snir Gazit , John McGreevy , Norman Y. Yao

Several post-training quantization methods have been applied to large language models (LLMs), and have been shown to perform well down to 8-bits. We find that these methods break down at lower bit precision, and investigate quantization…

Computation and Language · Computer Science 2023-05-30 Zechun Liu , Barlas Oguz , Changsheng Zhao , Ernie Chang , Pierre Stock , Yashar Mehdad , Yangyang Shi , Raghuraman Krishnamoorthi , Vikas Chandra

Large Language Models (LLMs) possess substantial reasoning capabilities and are increasingly applied to optimization tasks, particularly in synergy with evolutionary computation. However, while recent surveys have explored specific aspects…

Neural and Evolutionary Computing · Computer Science 2026-01-08 Yisong Zhang , Ran Cheng , Guoxing Yi , Kay Chen Tan

Combinatorial optimization (CO) problems, central to decision-making scenarios like logistics and manufacturing, are traditionally solved using problem-specific algorithms requiring significant domain expertise. While large language models…

Artificial Intelligence · Computer Science 2025-09-24 Xia Jiang , Yaoxin Wu , Minshuo Li , Zhiguang Cao , Yingqian Zhang

Despite significant progress in transformer interpretability, an understanding of the computational mechanisms of large language models (LLMs) remains a fundamental challenge. Many approaches interpret a network's hidden representations but…

Machine Learning · Computer Science 2025-10-14 James R. Golden