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Agentic discovery has shown that LLM-driven search can find novel algorithms, designs, and code under benchmark conditions. Translating the paradigm to multi-system data backends surfaces a harder problem: the search space is heterogeneous,…

Artificial Intelligence · Computer Science 2026-05-27 Shanshan Ye , Duo Lu

The promise of AI-driven scientific discovery hinges on whether AI agents can autonomously design and execute the computational workflows that underpin modern science. Molecular dynamics (MD) simulation presents a natural test bed to…

Artificial Intelligence · Computer Science 2026-05-12 Vinay Kumar , Satyendra Rajput , Mausam , N. M. Anoop Krishnan

AI coding agents spend a substantial fraction of their tool calls on undirected codebase exploration. We investigate whether providing agents with formal architecture descriptors can reduce this navigational overhead. We present three…

Software Engineering · Computer Science 2026-04-16 Ruoqi Jin

Theory of computing (ToC) courses are a staple in many undergraduate CS curricula as they lay the foundation of why CS is important to students. Although not a stated goal, an inevitable outcome of the course is enhancing the students'…

Computers and Society · Computer Science 2023-10-04 Ryan E. Dougherty

As AI systems gain increasing autonomy and execution capability, the number of discovered security vulnerabilities continues to rise. However, many of these vulnerabilities are not fundamentally novel, but instead reflect recurring classes…

Cryptography and Security · Computer Science 2026-05-27 Kevin Eykholt , Dhilung Kirat , Xiaokui Shu , Jiyong Jang , Frederico Araujo , Ian Molloy

Alignment research focuses on making individual AI systems reliable. Human institutions achieve reliable collective behaviour differently: they mitigate the risk posed by misaligned individuals through organisational structure. Multi-agent…

Artificial Intelligence · Computer Science 2026-02-17 William Waites

As Large Language Models (LLMs) gain agentic abilities, they will have to navigate complex multi-agent scenarios, interacting with human users and other agents in cooperative and competitive settings. This will require new reasoning skills,…

Artificial Intelligence · Computer Science 2025-06-26 Andrei Lupu , Timon Willi , Jakob Foerster

Originating in psychology, $\textit{Theory of Mind}$ (ToM) has attracted significant attention across multiple research communities, especially logic, economics, and robotics. Most psychological work does not aim at formalizing those…

Artificial Intelligence · Computer Science 2025-12-01 Fengming Zhu , Yuxin Pan , Xiaomeng Zhu , Fangzhen Lin

Most coding-agent benchmarks ask whether generated code behaves correctly. That remains essential, but repository-level engineering is increasingly agent-managed: one agent writes a repository, and later agents inspect, audit, or extend it…

Software Engineering · Computer Science 2026-05-08 Jhen-Ke Lin

Software engineering increasingly involves making high-stakes decisions under uncertainty, using signals from code, field data, and socio-technical processes. Recent AI-driven support (e.g., anomaly detection, predictive analytics, AIOps,…

Software Engineering · Computer Science 2026-05-05 Roberto Pietrantuono , Luca Giamattei , Stefano Russo , Julien Siebert , Neil Walkinshaw

Computer-Aided Design (CAD) models are defined by their construction history: a parametric recipe that encodes design intent. However, existing large-scale 3D datasets predominantly consist of boundary representations (B-Reps) or meshes,…

Computer Vision and Pattern Recognition · Computer Science 2026-04-28 Mohammadmehdi Ataei , Farzaneh Askari , Kamal Rahimi Malekshan , Pradeep Kumar Jayaraman

Inductive program synthesis, or programming by example, requires synthesizing functions from input-output examples that generalize to unseen inputs. While large language model agents have shown promise in programming tasks guided by natural…

Programming Languages · Computer Science 2025-08-11 Anjiang Wei , Tarun Suresh , Jiannan Cao , Naveen Kannan , Yuheng Wu , Kai Yan , Thiago S. F. X. Teixeira , Ke Wang , Alex Aiken

Software development support tools have been studied for a long time, with recent approaches using Large Language Models (LLMs) for code generation. These models can generate Python code for data science and machine learning applications.…

Computation and Language · Computer Science 2024-12-16 Piotr Gramacki , Bruno Martins , Piotr Szymański

Latent Chain-of-Thought (Latent CoT) models promise efficient reasoning via continuous representations, yet exhibit puzzling performance inconsistencies: excelling at exploration (ProsQA: 97.0%) but failing at computation (GSM8K: 34.1%). We…

Artificial Intelligence · Computer Science 2026-02-03 Jiaxuan Zou , Yaozhong Xiong , Yong Liu

Computer architecture design space is vast and complex. Tools are needed to explore new ideas and gain insights quickly, with low efforts and at a desired accuracy. We propose Calipers, a criticality-based framework to model key…

Performance · Computer Science 2022-01-19 Hossein Golestani , Rathijit Sen , Vinson Young , Gagan Gupta

Linear probes and sparse autoencoders consistently recover meaningful structure from transformer representations -- yet why should such simple methods succeed in deep, nonlinear systems? We show this is not merely an empirical regularity…

Machine Learning · Computer Science 2026-02-11 Andres Saurez , Yousung Lee , Dongsoo Har

At the current pace of technological advancements, Generative AI models, including both Large Language Models and Large Multi-modal Models, are becoming integral to the developer workspace. However, challenges emerge due to the 'black box'…

Software Engineering · Computer Science 2024-05-06 Gregorio Robles , Christoph Treude , Jesus M. Gonzalez-Barahona , Raula Gaikovina Kula

Language models have shown promising performance on the task of translating natural language questions into SQL queries (Text-to-SQL). However, most of the state-of-the-art (SOTA) approaches rely on powerful yet closed-source large language…

Computation and Language · Computer Science 2024-02-27 Haoyang Li , Jing Zhang , Hanbing Liu , Ju Fan , Xiaokang Zhang , Jun Zhu , Renjie Wei , Hongyan Pan , Cuiping Li , Hong Chen

A software architecture describes the structure of a computing system by specifying software components and their interactions. Mapping a software architecture to an implementation is a well known challenge. A key element of this mapping is…

Programming Languages · Computer Science 2011-09-14 Damien Cassou , Emilie Balland , Charles Consel , Julia Lawall

Existing datasets for coding agents evaluate performance on isolated, single pull request (PR) tasks in a stateless manner, failing to capture the reality of real-world software development where code changes accumulate, technical debt…

Software Engineering · Computer Science 2026-04-06 KN Ajay Shastry , Ganesh Senrayan , Shrey Satapara , Pranoy Panda , Chaitanya Devaguptapu
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