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Prompt engineering has demonstrated remarkable success in enhancing the performance of large language models (LLMs) across diverse tasks. However, most existing prompt optimization methods only focus on the task-level performance,…

Artificial Intelligence · Computer Science 2025-06-02 Yilun Kong , Hangyu Mao , Qi Zhao , Bin Zhang , Jingqing Ruan , Li Shen , Yongzhe Chang , Xueqian Wang , Rui Zhao , Dacheng Tao

Machine learning based methods have shown potential for optimizing existing molecules with more desirable properties, a critical step towards accelerating new chemical discovery. Here we propose QMO, a generic query-based molecule…

Machine Learning · Computer Science 2022-04-21 Samuel Hoffman , Vijil Chenthamarakshan , Kahini Wadhawan , Pin-Yu Chen , Payel Das

Representation learning of knowledge graphs encodes entities and relation types into a continuous low-dimensional vector space, learns embeddings of entities and relation types. Most existing methods only concentrate on knowledge triples,…

Artificial Intelligence · Computer Science 2017-04-20 Mengya Wang , Hankui Zhuo , Huiling Zhu

In this paper we present a novel strategy to solve optimization problems within a hybrid quantum-classical scheme based on quantum annealing, with a particular focus on QUBO problems. The proposed algorithm is based on an iterative…

Quantum Physics · Physics 2020-04-07 Enrico Blanzieri , Davide Pastorello

The search for quantum algorithms to tackle classical combinatorial optimization problems has long been one of the most attractive yet challenging research topics in quantum computing. In this context, variational quantum algorithms (VQA)…

Quantum Physics · Physics 2025-04-15 Andoni Agirre , Evert Van Nieuwenburg , Matteo M. Wauters

Database theory is exciting because it studies highly general and practically useful abstractions. Conjunctive query (CQ) evaluation is a prime example: it simultaneously generalizes graph pattern matching, constraint satisfaction, and…

Databases · Computer Science 2026-04-07 Mahmoud Abo Khamis , Hung Q. Ngo , Dan Suciu

Large Language Models (LLMs) face challenges in knowledge-intensive reasoning tasks like classic multi-hop question and answering, which involves reasoning across multiple facts. This difficulty arises because the chain of thoughts (CoTs)…

Computation and Language · Computer Science 2025-08-25 Nan Wang , Yongqi Fan , yansha zhu , ZongYu Wang , Xuezhi Cao , Xinyan He , Haiyun Jiang , Tong Ruan , Jingping Liu

This paper presents a novel learning-based trajectory planning framework for quadrotors that combines model-based optimization techniques with deep learning. Specifically, we formulate the trajectory optimization problem as a quadratic…

Robotics · Computer Science 2023-12-05 Yuwei Wu , Xiatao Sun , Igor Spasojevic , Vijay Kumar

Multi-task optimization (MTO) studies how to simultaneously solve multiple optimization problems for the purpose of obtaining better performance on each problem. Over the past few years, evolutionary MTO (EMTO) was proposed to handle MTO…

Neural and Evolutionary Computing · Computer Science 2021-10-12 Xiaolong Zheng , Deyun Zhou , Na Li , Yu Lei , Tao Wu , Maoguo Gong

Information extraction methods proved to be effective at triple extraction from structured or unstructured data. The organization of such triples in the form of (head entity, relation, tail entity) is called the construction of Knowledge…

Artificial Intelligence · Computer Science 2022-08-25 Mohamad Zamini , Hassan Reza , Minou Rabiei

Query optimization remains one of the most challenging problems in data management systems. Recent efforts to apply machine learning techniques to query optimization challenges have been promising, but have shown few practical gains due to…

Databases · Computer Science 2023-03-28 Ryan Marcus , Parimarjan Negi , Hongzi Mao , Nesime Tatbul , Mohammad Alizadeh , Tim Kraska

Compact and I/O-efficient data representations play an important role in efficient algorithm design, as memory bandwidth and latency can present a significant performance bottleneck, slowing the computation by orders of magnitude. While…

Data Structures and Algorithms · Computer Science 2018-11-19 Tomáš Gavenčiak , Jakub Tětek

The constrained path optimization (CPO) problem takes the following input: (a) a road network represented as a directed graph, where each edge is associated with a "cost" and a "score" value; (b) a source-destination pair and; (c) a budget…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-05 Kousik Kumar Dutta , Ankita Dewan , Venkata M. V. Gunturi

Combinatorial Optimization (CO) has been a long-standing challenging research topic featured by its NP-hard nature. Traditionally such problems are approximately solved with heuristic algorithms which are usually fast but may sacrifice the…

Machine Learning · Computer Science 2021-10-26 Runzhong Wang , Zhigang Hua , Gan Liu , Jiayi Zhang , Junchi Yan , Feng Qi , Shuang Yang , Jun Zhou , Xiaokang Yang

A range of quantum algorithms, especially those leveraging variational parameterization and circuit-based optimization, are being studied as alternatives for solving classically intractable combinatorial optimization problems (COPs).…

Quantum Physics · Physics 2025-06-18 Monit Sharma , Hoong Chuin Lau

Answering complex questions often requires reasoning over knowledge graphs (KGs). State-of-the-art methods often utilize entities in questions to retrieve local subgraphs, which are then fed into KG encoder, e.g. graph neural networks…

Computation and Language · Computer Science 2023-05-31 Shiyang Li , Yifan Gao , Haoming Jiang , Qingyu Yin , Zheng Li , Xifeng Yan , Chao Zhang , Bing Yin

We witness an unprecedented proliferation of knowledge graphs that record millions of entities and their relationships. While knowledge graphs are structure-flexible and content rich, they are difficult to use. The challenge lies in the gap…

Databases · Computer Science 2013-11-12 Nandish Jayaram , Arijit Khan , Chengkai Li , Xifeng Yan , Ramez Elmasri

The peptide-protein docking problem is an important problem in structural biology that facilitates rational and efficient drug design. In this work, we explore modeling and solving this problem with the quantum-amenable quadratic…

Training Large Language Models (LLMs) for chain-of-thought reasoning presents a significant challenge: supervised fine-tuning on a single "golden" rationale hurts generalization as it penalizes equally valid alternatives, whereas…

Computation and Language · Computer Science 2025-11-14 Mingye Zhu , Yi Liu , Zheren Fu , Quan Wang , Yongdong Zhang

We view molecular optimization as a graph-to-graph translation problem. The goal is to learn to map from one molecular graph to another with better properties based on an available corpus of paired molecules. Since molecules can be…

Machine Learning · Computer Science 2019-01-30 Wengong Jin , Kevin Yang , Regina Barzilay , Tommi Jaakkola