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Optimizing scientific software is a difficult task because codebases are often large and complex, and performance can depend upon several factors including the algorithm, its implementation, and hardware among others. Causes of poor…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-30 Daniel Nichols , Pranav Polasam , Harshitha Menon , Aniruddha Marathe , Todd Gamblin , Abhinav Bhatele

Designing novel protein sequences for a desired 3D topological fold is a fundamental yet non-trivial task in protein engineering. Challenges exist due to the complex sequence--fold relationship, as well as the difficulties to capture the…

Machine Learning · Computer Science 2021-06-25 Yue Cao , Payel Das , Vijil Chenthamarakshan , Pin-Yu Chen , Igor Melnyk , Yang Shen

Designing resource-efficient Deep Neural Networks (DNNs) is critical to deploy deep learning solutions over edge platforms due to diverse performance, power, and memory budgets. Unfortunately, it is often the case a well-trained ML model…

Machine Learning · Computer Science 2020-06-09 Sheng-Chun Kao , Arun Ramamurthy , Reed Williams , Tushar Krishna

Recent advances in large language models (LLMs) have made reasoning a central benchmark for evaluating intelligence. While prior surveys focus on efficiency by examining how to shorten reasoning chains or reduce computation, this view…

Artificial Intelligence · Computer Science 2026-04-01 Chao Wu , Baoheng Li , Mingchen Gao , Yu Tian , Zhenyi Wang

Diffusion Language Models (DLMs) are rapidly emerging as a powerful and promising alternative to the dominant autoregressive (AR) paradigm. By generating tokens in parallel through an iterative denoising process, DLMs possess inherent…

Computation and Language · Computer Science 2025-12-08 Tianyi Li , Mingda Chen , Bowei Guo , Zhiqiang Shen

Recurrent neural networks (RNNs) serve as a fundamental building block for many sequence tasks across natural language processing. Recent research has focused on recurrent dropout techniques or custom RNN cells in order to improve…

Computation and Language · Computer Science 2017-08-04 Stephen Merity , Bryan McCann , Richard Socher

Although large language models (LLMs) have been touted for their ability to generate natural-sounding text, there are growing concerns around possible negative effects of LLMs such as data memorization, bias, and inappropriate language.…

Machine Learning · Computer Science 2023-05-10 Michael Kuchnik , Virginia Smith , George Amvrosiadis

Morphological declension, which aims to inflect nouns to indicate number, case and gender, is an important task in natural language processing (NLP). This research proposal seeks to address the degree to which Recurrent Neural Networks…

Computation and Language · Computer Science 2018-10-10 Sina Ahmadi

Linear attention offers a linear-time alternative to self-attention but often struggles to capture long-range patterns. We revisit linear attention through a prediction-correction lens and show that prevalent variants can be written as a…

Machine Learning · Computer Science 2025-10-01 Xunhao Lai , Jialiang Kang , Jianqiao Lu , Tong Lin , Pengyu Zhao

Molecular design involves an enormous and irregular search space, where traditional optimizers such as Bayesian optimization, genetic algorithms, and generative models struggle to leverage expert knowledge or handle complex feedback.…

Machine Learning · Computer Science 2025-12-09 Nian Ran , Yue Wang , Xiaoyuan Zhang , Zhongzheng Li , Qingsong Ran , Wenhao Li , Richard Allmendinger

Recently, the number of off-the-shelf Large Language Models (LLMs) has exploded with many open-source options. This creates a diverse landscape regarding both serving options (e.g., inference on local hardware vs remote LLM APIs) and model…

Machine Learning · Computer Science 2024-12-18 Dimitrios Sikeridis , Dennis Ramdass , Pranay Pareek

Effective code generation with language models hinges on two critical factors: accurately understanding the intent of the prompt and generating code that applies algorithmic reasoning to produce correct solutions capable of passing diverse…

Artificial Intelligence · Computer Science 2025-10-21 Amir Jalilifard , Anderson de Rezende Rocha , Marcos Medeiros Raimundo

The rise of large language models (LLMs) has introduced transformative potential in automated code generation, addressing a wide range of software engineering challenges. However, empirical evaluation of LLM-based code generation lacks…

Software Engineering · Computer Science 2025-10-07 Nathalia Nascimento , Everton Guimaraes , Paulo Alencar

Large language models (LLMs) solve reasoning problems by first generating a rationale and then answering. We formalize reasoning as a latent variable model and derive a reward-based filtered expectation-maximization (FEM) objective for…

Machine Learning · Computer Science 2026-02-03 Junghyun Lee , Branislav Kveton , Anup Rao , Subhojyoti Mukherjee , Ryan A. Rossi , Sunav Choudhary , Alexa Siu

Large language models (LLMs) tackle complex tasks by generating long chains of thought or "reasoning traces" that act as latent variables in the generation of an output given a query. A model's ability to generate such traces can be…

Computation and Language · Computer Science 2025-12-03 Alexander Gurung , Nikolay Malkin , Mirella Lapata

Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the…

Biomolecules · Quantitative Biology 2024-05-14 Xianggen Liu , Yan Guo , Haoran Li , Jin Liu , Shudong Huang , Bowen Ke , Jiancheng Lv

A fundamental property of DNA is that the reverse complement (RC) of a sequence often carries identical biological meaning. However, state-of-the-art DNA language models frequently fail to capture this symmetry, producing inconsistent…

Machine Learning · Computer Science 2025-09-24 Mingqian Ma

Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation. Key challenges in explainability and sample efficiency present…

Biomolecules · Quantitative Biology 2024-03-05 Jeff Guo , Philippe Schwaller

Conventional research on large language models (LLMs) has primarily focused on refining output distributions, while paying less attention to the decoding process that transforms these distributions into final responses. Recent advances,…

Computation and Language · Computer Science 2025-10-28 Chenheng Zhang , Tianqi Du , Jizhe Zhang , Mingqing Xiao , Yifei Wang , Yisen Wang , Zhouchen Lin

In recent years, the growing interest in Large Language Models (LLMs) has significantly advanced prompt engineering, transitioning from manual design to model-based optimization. Prompts for LLMs generally comprise two components: the…

Computation and Language · Computer Science 2025-10-09 Qinhao Zhou , Xiang Xiang , Kun He , John E. Hopcroft
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