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Accurate prediction of resource consumption and runtime for cloud workflow jobs is critical for scheduling efficiency, yet remains challenging due to the semi-structured nature of job configurations -- comprising shell commands,…

Machine Learning · Computer Science 2026-05-18 Yuxuan Yin , Shengke Zhou , Yunjie Zhang , Ajay Mohindra , Boxun Xu , Peng Li

Mechanism design has long been a cornerstone of economic theory, with traditional approaches relying on mathematical derivations. Recently, automated approaches, including differentiable economics with neural networks, have emerged for…

Machine Learning · Computer Science 2025-02-19 Jiayuan Liu , Mingyu Guo , Vincent Conitzer

Despite recent advances, goal-directed generation of structured discrete data remains challenging. For problems such as program synthesis (generating source code) and materials design (generating molecules), finding examples which satisfy…

Machine Learning · Computer Science 2020-10-26 Amina Mollaysa , Brooks Paige , Alexandros Kalousis

Reinforcement learning (RL) has been widely used in training large language models (LLMs) for preventing unexpected outputs, eg reducing harmfulness and errors. However, existing RL methods mostly adopt the instance-level reward, which is…

Computation and Language · Computer Science 2024-06-18 Zhipeng Chen , Kun Zhou , Wayne Xin Zhao , Junchen Wan , Fuzheng Zhang , Di Zhang , Ji-Rong Wen

Many applications today use large language models for code generation; however, production systems have strict latency requirements that can be difficult to meet with large models. Small language models with a few billion parameters are…

Machine Learning · Computer Science 2026-04-14 Renjini R. Nair , Damian K. Kowalczyk , Marco Gaudesi , Chhaya Methani

How should future neural reasoning systems implement extended computation? Recursive Reasoning Models (RRMs) offer a promising alternative to autoregressive sequence extension by performing iterative latent-state refinement with shared…

Artificial Intelligence · Computer Science 2026-05-21 Junyeob Baek , Mingyu Jo , Minsu Kim , Mengye Ren , Yoshua Bengio , Sungjin Ahn

Cis-regulatory elements (CREs), such as promoters and enhancers, are relatively short DNA sequences that directly regulate gene expression. The fitness of CREs, measured by their ability to modulate gene expression, highly depends on the…

Machine Learning · Computer Science 2025-03-12 Zhao Yang , Bing Su , Chuan Cao , Ji-Rong Wen

Reinforcement learning (RL) has emerged as a promising strategy for improving the reasoning capabilities of language models (LMs) in domains such as mathematics and coding. However, most modern RL algorithms were designed to target robotics…

Artificial Intelligence · Computer Science 2025-05-26 Lianghuan Huang , Shuo Li , Sagnik Anupam , Insup Lee , Osbert Bastani

Reinforcement learning (RL) has emerged as a promising strategy for finetuning small language models (SLMs) to solve targeted tasks such as math and coding. However, RL algorithms tend to be resource-intensive, taking a significant amount…

Machine Learning · Computer Science 2025-10-07 Lianghuan Huang , Sagnik Anupam , Insup Lee , Shuo Li , Osbert Bastani

The RNA inverse folding problem, a key challenge in RNA design, involves identifying nucleotide sequences that can fold into desired secondary structures, which are critical for ensuring molecular stability and function. The inherent…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Guang Yang , Lei Fan

Code-generating Large Language Models (LLMs) have become essential tools in modern software development, enhancing productivity and accelerating development. This paper aims to investigate the fine-tuning of code-generating LLMs using…

Software Engineering · Computer Science 2025-05-06 Marina Sakharova , Abhinav Anand , Mira Mezini

Reinforcement learning (RL) has increasingly become a pivotal technique in the post-training of large language models (LLMs). The effective exploration of the output space is essential for the success of RL. We observe that for complex…

Machine Learning · Computer Science 2025-07-08 Shihan Dou , Muling Wu , Jingwen Xu , Rui Zheng , Tao Gui , Qi Zhang , Xuanjing Huang

Recursive Neural Networks (RvNNs), which compose sequences according to their underlying hierarchical syntactic structure, have performed well in several natural language processing tasks compared to similar models without structural…

Computation and Language · Computer Science 2021-06-14 Jishnu Ray Chowdhury , Cornelia Caragea

Artificial neural network (NN) architecture design is a nontrivial and time-consuming task that often requires a high level of human expertise. Neural architecture search (NAS) serves to automate the design of NN architectures and has…

Neural and Evolutionary Computing · Computer Science 2024-09-10 Reinhard Booysen , Anna Sergeevna Bosman

Structure-based drug design (SBDD) is crucial for developing specific and effective therapeutics against protein targets but remains challenging due to complex protein-ligand interactions and vast chemical space. Although language models…

Biomolecules · Quantitative Biology 2024-08-20 Cong Fu , Xiner Li , Blake Olson , Heng Ji , Shuiwang Ji

Design Structure Matrix (DSM) modularization, the task of partitioning system elements into cohesive modules, is a fundamental combinatorial challenge in engineering design. Traditional methods treat modularization as a pure graph…

Computational Engineering, Finance, and Science · Computer Science 2026-05-01 Shuo Jiang , Jianxi Luo

Protein language models (pLMs) pre-trained on vast protein sequence databases excel at various downstream tasks but often lack the structural knowledge essential for some biological applications. To address this, we introduce a method to…

Natural language (NL) to code suggestion systems assist developers in Integrated Development Environments (IDEs) by translating NL utterances into compilable code snippet. The current approaches mainly involve hard-coded, rule-based systems…

Software Engineering · Computer Science 2024-02-13 Mitodru Niyogi

Recent developments in synthetic biology, next-generation sequencing, and machine learning provide an unprecedented opportunity to rationally design new disease treatments based on measured responses to gene perturbations and drugs to…

Molecular Networks · Quantitative Biology 2024-03-12 Thomas P. Wytock , Adilson E. Motter

Computational RNA design tasks are often posed as inverse problems, where sequences are designed based on adopting a single desired secondary structure without considering 3D conformational diversity. We introduce gRNAde, a geometric RNA…