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Antibodies are versatile proteins that bind to pathogens like viruses and stimulate the adaptive immune system. The specificity of antibody binding is determined by complementarity-determining regions (CDRs) at the tips of these Y-shaped…

Biomolecules · Quantitative Biology 2022-01-31 Wengong Jin , Jeremy Wohlwend , Regina Barzilay , Tommi Jaakkola

Generative deep learning techniques have demonstrated an impressive capacity for tackling biomolecular design problems in recent years. Despite their high performance, however, they still suffer from a lack of interpretability and rigorous…

Machine Learning · Computer Science 2026-04-06 Jyler Menard , R. A. Mansbach

Compilation errors pose pervasive and critical challenges in software development, significantly hindering productivity. Therefore, Automated Compilation Error Repair (ACER) techniques are proposed to mitigate these issues. Despite recent…

Software Engineering · Computer Science 2026-03-31 Jia Li , Zeyang Zhuang , Zhuangbin Chen , Yuxin Su , Wei Meng , Michael R. Lyu

The selection, development, or comparison of machine learning methods in data mining can be a difficult task based on the target problem and goals of a particular study. Numerous publicly available real-world and simulated benchmark…

Machine Learning · Computer Science 2017-03-03 Randal S. Olson , William La Cava , Patryk Orzechowski , Ryan J. Urbanowicz , Jason H. Moore

Although large language models (LLMs) have demonstrated their strong intelligence ability, the high demand for computation and storage hinders their practical application. To this end, many model compression techniques are proposed to…

Computation and Language · Computer Science 2024-11-01 Ge Yang , Changyi He , Jinyang Guo , Jianyu Wu , Yifu Ding , Aishan Liu , Haotong Qin , Pengliang Ji , Xianglong Liu

Deep generative models have emerged as a popular machine learning-based approach for inverse design problems in the life sciences. However, these problems often require sampling new designs that satisfy multiple properties of interest in…

Designing protein-binding proteins with high affinity is critical in biomedical research and biotechnology. Despite recent advancements targeting specific proteins, the ability to create high-affinity binders for arbitrary protein targets…

Machine Learning · Computer Science 2025-11-03 Zhenqiao Song , Tiaoxiao Li , Lei Li , Martin Renqiang Min

Inverse design of materials has significantly advanced target-driven formulation optimization, yet existing materials machine learning benchmarks remain limited to forward property prediction, failing to systematically evaluate inverse…

Materials Science · Physics 2026-05-27 Linhan Wu , Chenxi Wang , Chuhan Yang , Zhengwei Yang , Yuyang Liu

Recent years have seen rapid advances in AI-driven image generation. Early diffusion models emphasized perceptual quality, while newer multimodal models like GPT-4o-image integrate high-level reasoning, improving semantic understanding and…

Computer Vision and Pattern Recognition · Computer Science 2025-05-29 Yifan Chang , Yukang Feng , Jianwen Sun , Jiaxin Ai , Chuanhao Li , S. Kevin Zhou , Kaipeng Zhang

We introduce CheXGenBench, a rigorous and multifaceted evaluation framework for synthetic chest radiograph generation that simultaneously assesses fidelity, privacy risks, and clinical utility across state-of-the-art text-to-image…

Computer Vision and Pattern Recognition · Computer Science 2026-03-30 Raman Dutt , Pedro Sanchez , Yongchen Yao , Steven McDonagh , Sotirios A. Tsaftaris , Timothy Hospedales

Speculative Decoding (SD) has emerged as a critical technique for accelerating Large Language Model (LLM) inference. Unlike deterministic system optimizations, SD performance is inherently data-dependent, meaning that diverse and…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-29 Talor Abramovich , Maor Ashkenazi , Izzy Putterman , Benjamin Chislett , Tiyasa Mitra , Bita Darvish Rouhani , Ran Zilberstein , Yonatan Geifman

Designing messenger RNA (mRNA) sequences for a fixed target protein requires searching an exponentially large synonymous space while optimizing properties that affect stability and downstream performance. This is challenging because…

Biomolecules · Quantitative Biology 2026-03-09 Feipeng Yue , Ning Dai , Wei Yu Tang , Tianshuo Zhou , David H. Mathews , Liang Huang

We present Bencher, a modular benchmarking framework for black-box optimization that fundamentally decouples benchmark execution from optimization logic. Unlike prior suites that focus on combining many benchmarks in a single project,…

Machine Learning · Computer Science 2025-05-28 Leonard Papenmeier , Luigi Nardi

Antibodies, a prominent class of approved biologics, play a crucial role in detecting foreign antigens. The effectiveness of antigen neutralisation and elimination hinges upon the strength, sensitivity, and specificity of the…

Quantitative Methods · Quantitative Biology 2023-09-06 Bruna Moreira da Silva , David B. Ascher , Nicholas Geard , Douglas E. V. Pires

Effective imputation is a crucial preprocessing step for time series analysis. Despite the development of numerous deep learning algorithms for time series imputation, the community lacks standardized and comprehensive benchmark platforms…

Large language models (LLMs) have demonstrated significant potential in advancing various fields of research and society. However, the current community of LLMs overly focuses on benchmarks for analyzing specific foundational skills (e.g.…

Designing compounds with desired properties is a key element of the drug discovery process. However, measuring progress in the field has been challenging due to the lack of realistic retrospective benchmarks, and the large cost of…

Biomolecules · Quantitative Biology 2023-06-16 Tobiasz Cieplinski , Tomasz Danel , Sabina Podlewska , Stanislaw Jastrzebski

Automated red teaming holds substantial promise for uncovering and mitigating the risks associated with the malicious use of large language models (LLMs), yet the field lacks a standardized evaluation framework to rigorously assess new…

Layout-guided text-to-image models offer greater control over the generation process by explicitly conditioning image synthesis on the spatial arrangement of elements. As a result, their adoption has increased in many computer vision…

Computer Vision and Pattern Recognition · Computer Science 2025-08-19 Elena Izzo , Luca Parolari , Davide Vezzaro , Lamberto Ballan

To cope with the intractability of answering Conjunctive Queries (CQs) and solving Constraint Satisfaction Problems (CSPs), several notions of hypergraph decompositions have been proposed -- giving rise to different notions of width,…

Databases · Computer Science 2018-11-21 Wolfgang Fischl , Georg Gottlob , Davide M. Longo , Reinhard Pichler
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