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We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By combining LLM reasoning with domain-specific tools, the…

Recent large language models (LLMs) employ billions of parameters to enable broad problem-solving capabilities. Such language models also tend to be memory-bound because of the dominance of matrix-vector and matrix-matrix multiplications…

Machine Learning · Computer Science 2024-10-24 Chakshu Moar , Faraz Tahmasebi , Michael Pellauer , Hyoukjun Kwon

Efficient quantum state preparation remains a central challenge in first-principles quantum simulations of dynamics in quantum field theories, where the Hilbert space is intrinsically infinite-dimensional. Here, we introduce a large…

Deploying large language models (LLMs) encounters challenges due to intensive computational and memory requirements. Our research examines vocabulary trimming (VT) inspired by restricting embedding entries to the language of interest to…

Computation and Language · Computer Science 2024-04-30 Nikolay Bogoychev , Pinzhen Chen , Barry Haddow , Alexandra Birch

We present a framework in which a large language model (LLM) acts as an online adaptive controller for SIMP topology optimization, replacing conventional fixed-schedule continuation with real-time, state-conditioned parameter decisions. At…

Computational Engineering, Finance, and Science · Computer Science 2026-05-18 Shaoliang Yang , Jun Wang , Yunsheng Wang

Large language models (LLMs) are computationally intensive. The computation workload and the memory footprint grow quadratically with the dimension (layer width). Most of LLMs' parameters come from the linear layers of the transformer…

Machine Learning · Computer Science 2024-02-22 Xiao-Yang Liu , Jie Zhang , Guoxuan Wang , Weiqing Tong , Anwar Walid

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

Network slicing, a cornerstone technology for future networks, enables the creation of customized virtual networks on a shared physical infrastructure. This fosters innovation and agility by providing dedicated resources tailored to…

Networking and Internet Architecture · Computer Science 2024-03-21 Abdulhalim Dandoush , Viswanath Kumarskandpriya , Mueen Uddin , Usman Khalil

Many efforts have been made to facilitate natural language processing tasks with pre-trained language models (LMs), and brought significant improvements to various applications. To fully leverage the nearly unlimited corpora and capture…

Computation and Language · Computer Science 2018-09-11 Liyuan Liu , Xiang Ren , Jingbo Shang , Jian Peng , Jiawei Han

Large Language Models (LLMs) excel in various natural language tasks but often struggle with long-horizon planning problems requiring structured reasoning. This limitation has drawn interest in integrating neuro-symbolic approaches within…

Artificial Intelligence · Computer Science 2025-10-28 Marcus Tantakoun , Xiaodan Zhu , Christian Muise

A burgeoning area within reinforcement learning (RL) is the design of sequential decision-making agents centered around large language models (LLMs). While autonomous decision-making agents powered by modern LLMs could facilitate numerous…

Machine Learning · Computer Science 2026-02-10 Dilip Arumugam , Thomas L. Griffiths

Transformers have a quadratic scaling of computational complexity with input size, which limits the input context window size of large language models (LLMs) in both training and inference. Meanwhile, retrieval-augmented generation (RAG)…

Computation and Language · Computer Science 2024-10-18 Yimin Tang , Yurong Xu , Ning Yan , Masood Mortazavi

Decision conferences are structured, collaborative meetings that bring together experts from various fields to address complex issues and reach a consensus on recommendations for future actions or policies. These conferences often rely on…

Computation and Language · Computer Science 2025-07-14 Selina Heller , Mohamed Ibrahim , David Antony Selby , Sebastian Vollmer

Large language models (LLMs) demonstrate extraordinary abilities in a wide range of natural language processing (NLP) tasks. In this paper, we show that, beyond text understanding capability, LLMs are capable of processing text layouts that…

Computation and Language · Computer Science 2024-08-29 Weiming Li , Manni Duan , Dong An , Yan Shao

This study presents the LLM-Agent-Controller, a multi-agent large language model (LLM) system developed to address a wide range of problems in control engineering (Control Theory). The system integrates a central controller agent with…

Artificial Intelligence · Computer Science 2025-05-27 Rasoul Zahedifar , Sayyed Ali Mirghasemi , Mahdieh Soleymani Baghshah , Alireza Taheri

Recent advances in Large Language Models (LLMs) have opened new perspectives for automation in optimization. While several studies have explored how LLMs can generate or solve optimization models, far less is understood about what these…

Artificial Intelligence · Computer Science 2025-12-16 Francesca Da Ros , Luca Di Gaspero , Kevin Roitero

Choosing a Large Language Model (LLM) for a given task requires comparing many strong candidates, yet standard evaluation relies on costly annotations over fixed evaluation sets. To address this challenge, we develop SELECT-LLM, the first…

Computation and Language · Computer Science 2026-05-26 Yavuz Durmazkeser , Patrik Okanovic , Andreas Kirsch , Torsten Hoefler , Nezihe Merve Gürel

This paper studies retrieval-augmented approaches for personalizing large language models (LLMs), which potentially have a substantial impact on various applications and domains. We propose the first attempt to optimize the retrieval models…

Computation and Language · Computer Science 2024-04-19 Alireza Salemi , Surya Kallumadi , Hamed Zamani

Deep learning drives a new wave in computing systems and triggers the automation of increasingly complex problems. In particular, Large Language Models (LLMs) have significantly advanced cognitive tasks, often matching or even surpassing…

Large Language Models (LLMs) demonstrate remarkable capabilities in replicating human tasks and boosting productivity. However, their direct application for data extraction presents limitations due to a prioritisation of fluency over…

Computation and Language · Computer Science 2024-06-13 Aman Ahluwalia , Suhrud Wani