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From extracting features to generating text, the outputs of large language models (LLMs) typically rely on the final layers, following the conventional wisdom that earlier layers capture only low-level cues. However, our analysis shows that…

Machine Learning · Computer Science 2025-06-17 Oscar Skean , Md Rifat Arefin , Dan Zhao , Niket Patel , Jalal Naghiyev , Yann LeCun , Ravid Shwartz-Ziv

Due to the large number of parameters, the inference phase of Large Language Models (LLMs) is resource-intensive. Unlike traditional model compression, which needs retraining, recent dynamic computation methods show that not all components…

Computation and Language · Computer Science 2025-11-27 Siqi Fan , Xuezhi Fang , Xingrun Xing , Peng Han , Shuo Shang , Yequan Wang

Improving Large Language Model (LLM) agents for sequential decision-making tasks typically requires extensive task-specific knowledge engineering--custom prompts, curated examples, and specialized observation/action spaces. We investigate a…

Machine Learning · Computer Science 2025-05-20 Vishnu Sarukkai , Zhiqiang Xie , Kayvon Fatahalian

This paper introduces CodeQUEST, a novel framework leveraging Large Language Models (LLMs) to iteratively evaluate and enhance code quality across multiple dimensions, including readability, maintainability, efficiency, and security. The…

Software Engineering · Computer Science 2025-02-12 Rundong Liu , Andre Frade , Amal Vaidya , Maxime Labonne , Marcus Kaiser , Bismayan Chakrabarti , Jonathan Budd , Sean Moran

The synthesis of complex natural products remains one of the grand challenges of organic chemistry. We present DeepRetro, a major advancement in computational retrosynthesis that enables the discovery of viable synthetic routes for complex…

Large language models (LLMs) have become the cornerstone of modern AI. However, the existing paradigm of next-token prediction fundamentally limits their ability to form coherent, high-level concepts, making it a critical barrier to…

Machine Learning · Computer Science 2025-06-16 Michael K. Chen , Xikun Zhang , Jiaxing Huang , Dacheng Tao

Automated code generation with large language models has gained significant traction, but there remains no guarantee on the correctness of generated code. We aim to use formal verification to provide mathematical guarantees that the…

Machine Learning · Computer Science 2024-12-10 Pranjal Aggarwal , Bryan Parno , Sean Welleck

This paper introduces a novel research direction for model-to-text/code transformations by leveraging Large Language Models (LLMs) that can be enhanced with Retrieval-Augmented Generation (RAG) pipelines. The focus is on quantum and hybrid…

Software Engineering · Computer Science 2025-12-03 Nazanin Siavash , Armin Moin

The rise of Artificial Intelligence (AI)-and particularly Large Language Models (LLMs) for code-has reshaped Software Engineering (SE) by enabling the automation of tasks such as code generation, bug detection, and repair. However, these…

Software Engineering · Computer Science 2025-08-18 Saima Afrin , Md Zahidul Haque , Antonio Mastropaolo

Current Large Language Model (LLM) agents show strong performance in tool use, but lack the crucial capability to systematically learn from their own experiences. While existing frameworks mainly focus on mitigating external knowledge gaps,…

Computation and Language · Computer Science 2026-05-19 Rong Wu , Xiaoman Wang , Jianbiao Mei , Pinlong Cai , Daocheng Fu , Cheng Yang , Licheng Wen , Xuemeng Yang , Yufan Shen , Yuxin Wang , Botian Shi

Using large language models (LLMs) to generate source code from natural language prompts is a popular and promising idea with a wide range of applications. One of its limitations is that the generated code can be faulty at times, often in a…

Software Engineering · Computer Science 2025-01-14 Yue Chen Li , Stefan Zetzsche , Siva Somayyajula

Fine-tuning pre-trained foundational language models (FLM) for specific tasks is often impractical, especially for resource-constrained devices. This necessitates the development of a Lifelong Learning (L3) framework that continuously…

Computation and Language · Computer Science 2023-11-14 Aidin Shiri , Kaushik Roy , Amit Sheth , Manas Gaur

Recent large language models (LLMs) achieve impressive performance in source-conditioned text generation but often fail to correctly provide fine-grained attributions for their outputs, undermining verifiability and trust. Moreover,…

Computation and Language · Computer Science 2025-06-18 David Wan , Eran Hirsch , Elias Stengel-Eskin , Ido Dagan , Mohit Bansal

Integration of artificial intelligence (AI) into life cycle assessment (LCA) has accelerated in recent years, with numerous studies successfully adapting machine learning algorithms to support various stages of LCA. Despite this rapid…

Artificial Intelligence · Computer Science 2026-02-27 Anastasija Mensikova , Donna M. Rizzo , Kathryn Hinkelman

Currently, many large language models (LLMs) are utilized for software engineering tasks such as code generation. The emergence of more advanced models known as large reasoning models (LRMs), such as OpenAI's o3, DeepSeek R1, and Qwen3.…

Software Engineering · Computer Science 2025-09-18 Kevin Halim , Sin G. Teo , Ruitao Feng , Zhenpeng Chen , Yang Gu , Chong Wang , Yang Liu

Automated detection of software vulnerabilities is critical for enhancing security, yet existing methods often struggle with the complexity and diversity of modern codebases. In this paper, we introduce EnStack, a novel ensemble stacking…

Software Engineering · Computer Science 2024-11-26 Shahriyar Zaman Ridoy , Md. Shazzad Hossain Shaon , Alfredo Cuzzocrea , Mst Shapna Akter

The quality of Supervised Fine-Tuning (SFT) data plays a critical role in enhancing the conversational capabilities of Large Language Models (LLMs). However, as LLMs become more advanced, the availability of high-quality human-annotated SFT…

Computation and Language · Computer Science 2025-01-22 Maosong Cao , Taolin Zhang , Mo Li , Chuyu Zhang , Yunxin Liu , Haodong Duan , Songyang Zhang , Kai Chen

Large Language Models (LLMs) are becoming integral to daily life, showcasing their vast potential across various Natural Language Processing (NLP) tasks. Beyond NLP, LLMs are increasingly used in software development tasks, such as code…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-24 Shashikant Ilager , Lukas Florian Briem , Ivona Brandic

Recent advances in large language models (LLMs) have enabled a new class of AI agents that automate multiple stages of the data science workflow by integrating planning, tool use, and multimodal reasoning across text, code, tables, and…

As large language models (LLMs) continue to advance in programming tasks, LLM-driven coding systems have evolved from one-shot code generation into complex systems capable of iterative improvement during inference. However, existing code…

Software Engineering · Computer Science 2026-02-12 Wentao Zhang , Jianfeng Wang , Liheng Liang , Yilei Zhao , HaiBin Wen , Zhe Zhao