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Structure-based drug design is drawing growing attentions in computer-aided drug discovery. Compared with the virtual screening approach where a pre-defined library of compounds are computationally screened, de novo drug design based on the…

Biomolecules · Quantitative Biology 2022-09-14 Kehan Wu , Yingce Xia , Yang Fan , Pan Deng , Haiguang Liu , Lijun Wu , Shufang Xie , Tong Wang , Tao Qin , Tie-Yan Liu

In recent years, language models (LMs), such as GPT-4, have been widely used in multiple domains, including natural language processing, visualization, and so on. However, applying them for analyzing and optimizing high-performance…

Machine Learning · Computer Science 2023-11-28 Le Chen , Pei-Hung Lin , Tristan Vanderbruggen , Chunhua Liao , Murali Emani , Bronis de Supinski

Ensuring the quality of software systems through testing is essential, yet maintaining test cases poses significant challenges and costs. The need for frequent updates to align with the evolving system under test often entails high…

Software Engineering · Computer Science 2025-02-17 Ahmadreza Saboor Yaraghi , Darren Holden , Nafiseh Kahani , Lionel Briand

To achieve peak predictive performance, hyperparameter optimization (HPO) is a crucial component of machine learning and its applications. Over the last years, the number of efficient algorithms and tools for HPO grew substantially. At the…

This paper describes our experiences creating Tornado: a practical and efficient heterogeneous programming framework for managed languages. The novel aspect of Tornado is that it turns the programming of heterogeneous systems from an…

Programming Languages · Computer Science 2018-03-02 James Clarkson , Christos Kotselidis

Mastering terminal environments requires language agents capable of multi-step planning, feedback-grounded execution, and dynamic state adaptation. However, training such agents is currently bottlenecked by a reliance on scraped external…

Computation and Language · Computer Science 2026-05-29 Xiaoxuan Peng , Kaiqi Zhang , Xinyu Lu , Boxi Cao , Yaojie Lu , Hongyu Lin , Xianpei Han , Le Sun

Penetration testing is essential for identifying vulnerabilities in web applications before real adversaries can exploit them. Recent work has explored automating this process with Large Language Model (LLM)-powered agents, but existing…

Software Engineering · Computer Science 2026-01-13 Huihui Huang , Jieke Shi , Junkai Chen , Ting Zhang , Yikun Li , Chengran Yang , Eng Lieh Ouh , Lwin Khin Shar , David Lo

The large transformer-based language models demonstrate excellent performance in natural language processing. By considering the transferability of the knowledge gained by these models in one domain to other related domains, and the…

Cryptography and Security · Computer Science 2022-09-07 Chandra Thapa , Seung Ick Jang , Muhammad Ejaz Ahmed , Seyit Camtepe , Josef Pieprzyk , Surya Nepal

In this study, we introduce Orion-14B, a collection of multilingual large language models with 14 billion parameters. We utilize a data scheduling approach to train a foundational model on a diverse corpus of 2.5 trillion tokens, sourced…

Computation and Language · Computer Science 2024-01-24 Du Chen , Yi Huang , Xiaopu Li , Yongqiang Li , Yongqiang Liu , Haihui Pan , Leichao Xu , Dacheng Zhang , Zhipeng Zhang , Kun Han

Scaling semantic parsing models for task-oriented dialog systems to new languages is often expensive and time-consuming due to the lack of available datasets. Available datasets suffer from several shortcomings: a) they contain few…

Computation and Language · Computer Science 2021-01-28 Haoran Li , Abhinav Arora , Shuohui Chen , Anchit Gupta , Sonal Gupta , Yashar Mehdad

Uncontrollable autonomous replication of language model agents poses a critical safety risk. To better understand this risk, we introduce RepliBench, a suite of evaluations designed to measure autonomous replication capabilities. RepliBench…

We present the Multilingual Reasoning Gym, an extension of Reasoning Gym (Stojanovski et al., 2025), that procedurally generates verifiable reasoning problems across 14 languages. We translate templates for 94 tasks with native-speaker…

Computation and Language · Computer Science 2026-03-12 Konstantin Dobler , Simon Lehnerer , Federico Scozzafava , Jonathan Janke , Mohamed Ali

Metamorphic testing is a well known approach to tackle the oracle problem in software testing. This technique requires the use of source test cases that serve as seeds for the generation of follow-up test cases. Systematic design of test…

Software Engineering · Computer Science 2018-02-22 Prashanta Saha , Upulee Kanewala

Software testing is a critical aspect of software development, yet generating test cases remains a routine task for engineers. This paper presents a benchmark, CLOVER, to evaluate models' capabilities in generating and completing test cases…

Software Engineering · Computer Science 2025-02-14 Jiacheng Xu , Bo Pang , Jin Qu , Hiroaki Hayashi , Caiming Xiong , Yingbo Zhou

Transfer learning with a unified Transformer framework (T5) that converts all language problems into a text-to-text format was recently proposed as a simple and effective transfer learning approach. Although a multilingual version of the T5…

Computation and Language · Computer Science 2022-03-16 El Moatez Billah Nagoudi , AbdelRahim Elmadany , Muhammad Abdul-Mageed

In vulnerability detection, machine learning has been used as an effective static analysis technique, although it suffers from a significant rate of false positives. Contextually, in vulnerability discovery, fuzzing has been used as an…

Cryptography and Security · Computer Science 2025-05-05 Gianpietro Castiglione , Marcello Maugeri , Giampaolo Bella

Large language models have demonstrated impressive capabilities in generating code, yet they often produce programs with flaws or deviations from intended behavior, limiting their suitability for safety-critical applications. To address…

Software Engineering · Computer Science 2025-04-08 Merlijn Sevenhuijsen , Khashayar Etemadi , Mattias Nyberg

We introduce Stanza, an open-source Python natural language processing toolkit supporting 66 human languages. Compared to existing widely used toolkits, Stanza features a language-agnostic fully neural pipeline for text analysis, including…

Computation and Language · Computer Science 2020-04-24 Peng Qi , Yuhao Zhang , Yuhui Zhang , Jason Bolton , Christopher D. Manning

We introduce Procgen Benchmark, a suite of 16 procedurally generated game-like environments designed to benchmark both sample efficiency and generalization in reinforcement learning. We believe that the community will benefit from increased…

Machine Learning · Computer Science 2020-07-28 Karl Cobbe , Christopher Hesse , Jacob Hilton , John Schulman

Automated unit test generation is a well-known methodology aiming to reduce the developers' effort of writing tests manually. Prior research focused mainly on statically typed programming languages like Java. In practice, however,…

Software Engineering · Computer Science 2022-02-11 Stephan Lukasczyk , Gordon Fraser
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