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Quantum computers have the potential to outperform classical computers in important tasks such as optimization and number factoring. They are characterized by limited connectivity, which necessitates the routing of their computational bits,…

Quantum Physics · Physics 2024-10-08 Wei Tang , Yiheng Duan , Yaroslav Kharkov , Rasool Fakoor , Eric Kessler , Yunong Shi

Beam search is the go-to method for decoding auto-regressive machine translation models. While it yields consistent improvements in terms of BLEU, it is only concerned with finding outputs with high model likelihood, and is thus agnostic to…

Planning problems are among the most important and well-studied problems in artificial intelligence. They are most typically solved by tree search algorithms that simulate ahead into the future, evaluate future states, and back-up those…

Artificial Intelligence · Computer Science 2018-07-18 Arthur Guez , Théophane Weber , Ioannis Antonoglou , Karen Simonyan , Oriol Vinyals , Daan Wierstra , Rémi Munos , David Silver

Randomized linear algebra (RLA) algorithms are a modern class of numerical linear algebra techniques that play an essential role in scientific computing and machine learning, with broad and growing adoption. However, their discovery remains…

Machine Learning · Computer Science 2026-05-19 Jinglong Xiong , Xiaotian Liu , Ruoxin Wang , Zihang Liu , Yefan Zhou , Yujun Yan , Yaoqing Yang

Automated algorithm design is entering a new phase: Large Language Models can now generate full optimisation (meta)heuristics, explore vast design spaces and adapt through iterative feedback. Yet this rapid progress is largely…

Artificial Intelligence · Computer Science 2025-11-21 Niki van Stein , Anna V. Kononova , Thomas Bäck

Recent advancements in large language models (LLMs) have shown remarkable potential in automating machine learning tasks. However, existing LLM-based agents often struggle with low-diversity and suboptimal code generation. While recent work…

Computation and Language · Computer Science 2026-01-26 Zujie Liang , Feng Wei , Wujiang Xu , Lin Chen , Yuxi Qian , Xinhui Wu

Large language models (LLMs) demonstrate impressive language understanding and contextual learning abilities, making them suitable for natural language processing (NLP) tasks and complex mathematical reasoning. However, when applied to…

Artificial Intelligence · Computer Science 2023-09-13 Haotian Xu

Machine Learning (ML) has revamped every domain of life as it provides powerful tools to build complex systems that learn and improve from experience and data. Our key insight is that to solve a machine learning problem, data scientists do…

Software Engineering · Computer Science 2018-02-07 Muhammad Zubair Malik , Muhammad Nawaz , Nimrah Mustafa , Junaid Haroon Siddiqui

Large language Model (LLM)-assisted algorithm discovery is an iterative, black-box optimization process over programs to approximatively solve a target task, where an LLM proposes candidate programs and an external evaluator provides task…

Machine Learning · Computer Science 2026-02-04 Timothee Leleu , Sudeera Gunathilaka , Federico Ghimenti , Surya Ganguli

Complex multi-step reasoning tasks, such as solving mathematical problems or generating code, remain a significant hurdle for even the most advanced large language models (LLMs). Verifying LLM outputs with an Outcome Reward Model (ORM) is a…

Computation and Language · Computer Science 2024-12-13 Liangchen Luo , Yinxiao Liu , Rosanne Liu , Samrat Phatale , Meiqi Guo , Harsh Lara , Yunxuan Li , Lei Shu , Yun Zhu , Lei Meng , Jiao Sun , Abhinav Rastogi

Creating quantum algorithms is a difficult task, especially for computer scientist not used to quantum computing. But quantum algorithms often use similar elements. Thus, these elements provide proven solutions to recurring problems, i.e. a…

Quantum Physics · Physics 2019-06-10 Frank Leymann

Equation discovery is aimed at directly extracting physical laws from data and has emerged as a pivotal research domain. Previous methods based on symbolic mathematics have achieved substantial advancements, but often require the design of…

Machine Learning · Computer Science 2024-07-23 Mengge Du , Yuntian Chen , Zhongzheng Wang , Longfeng Nie , Dongxiao Zhang

Large language models demonstrate exceptional performance in simple code generation tasks but still face challenges in tackling complex problems. These challenges may stem from insufficient reasoning and problem decomposition capabilities.…

Computation and Language · Computer Science 2025-05-12 Bin Xu , Yiguan Lin , Yinghao Li , Yang Gao

Many traditional algorithms for solving combinatorial optimization problems involve using hand-crafted heuristics that sequentially construct a solution. Such heuristics are designed by domain experts and may often be suboptimal due to the…

Machine Learning · Computer Science 2020-12-25 Nina Mazyavkina , Sergey Sviridov , Sergei Ivanov , Evgeny Burnaev

Automatic design of organic materials requires black-box optimization in a vast chemical space. In conventional molecular design algorithms, a molecule is built as a combination of predetermined fragments. Recently, deep neural network…

Chemical Physics · Physics 2018-06-27 Xiufeng Yang , Jinzhe Zhang , Kazuki Yoshizoe , Kei Terayama , Koji Tsuda

Many robotic tasks, such as inverse kinematics, motion planning, and optimal control, can be formulated as optimization problems. Solving these problems involves addressing nonlinear kinematics, complex contact dynamics, long-horizon…

Robotics · Computer Science 2025-09-10 Teng Xue , Yan Zhang , Amirreza Razmjoo , Sylvain Calinon

Motivated by algorithmic information theory, the problem of program discovery can help find candidates of underlying generative mechanisms of natural and artificial phenomena. The uncomputability of such inverse problem, however,…

Information Theory · Computer Science 2021-12-29 Vladimir Lemusa , Eduardo Acuña , Víctor Zamora , Francisco Hernandez-Quiroz , Hector Zenil

Quantum algorithms based on variational approaches are one of the most promising methods to construct quantum solutions and have found a myriad of applications in the last few years. Despite the adaptability and simplicity, their…

Making changes to a program to optimize its performance is an unscalable task that relies entirely upon human intuition and experience. In addition, companies operating at large scale are at a stage where no single individual understands…

Machine Learning · Computer Science 2020-05-08 Don M. Dini

This study explores how to enhance the reasoning capabilities of large language models (LLMs) in knowledge base question answering (KBQA) by leveraging Monte Carlo Tree Search (MCTS). Semantic parsing-based KBQA methods are particularly…

Computation and Language · Computer Science 2025-02-20 Guanming Xiong , Haochen Li , Wen Zhao