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Protein structure prediction often hinges on multiple sequence alignments (MSAs), which underperform on low-homology and orphan proteins. We introduce PLAME, a lightweight MSA design framework that leverages evolutionary embeddings from…

Machine Learning · Computer Science 2025-09-29 Hanqun Cao , Xinyi Zhou , Zijun Gao , Chenyu Wang , Xin Gao , Zhi Zhang , Cesar de la Fuente-Nunez , Chunbin Gu , Ge Liu , Pheng-Ann Heng

A plethora of protein language models have been released in recent years. Yet comparatively little work has addressed how to best sample from them to optimize desired biological properties. We fill this gap by proposing a flexible,…

Machine Learning · Computer Science 2026-05-08 Calvin McCarter , Nick Bhattacharya , Sebastian W. Ober , Hunter Elliott

Generative models have shown robust performance on speech enhancement and restoration tasks, but most prior approaches operate offline with high latency, making them unsuitable for streaming applications. In this work, we investigate the…

Audio and Speech Processing · Electrical Eng. & Systems 2025-10-21 Tsun-An Hsieh , Sebastian Braun

Reward modeling, crucial for aligning large language models (LLMs) with human preferences, is often bottlenecked by the high cost of preference data. Existing textual data synthesis methods are computationally expensive. We propose a novel…

Computation and Language · Computer Science 2025-10-15 Leitian Tao , Xuefeng Du , Sharon Li

The biological functions of proteins often depend on dynamic structural ensembles. In this work, we develop a flow-based generative modeling approach for learning and sampling the conformational landscapes of proteins. We repurpose highly…

Biomolecules · Quantitative Biology 2024-09-04 Bowen Jing , Bonnie Berger , Tommi Jaakkola

Deep generative models provide state-of-the-art performance across a wide array of applications, with recent studies showing increasing applicability for science and engineering. Despite a growing corpus of literature focused on the…

Machine Learning · Computer Science 2026-05-14 Jacob K. Christopher , James E. Warner , Ferdinando Fioretto

While language models have shown remarkable performance across diverse tasks, they still encounter challenges in complex reasoning scenarios. Recent research suggests that language models trained on linearized search traces toward…

Artificial Intelligence · Computer Science 2025-10-28 Seungyong Moon , Bumsoo Park , Hyun Oh Song

Model pruning is an effective approach for compressing large language models (LLMs). However, this process often leads to significant degradation of model capabilities. While post-training techniques such as instruction tuning are commonly…

Computation and Language · Computer Science 2026-02-13 Bowei He , Lihao Yin , Hui-Ling Zhen , Xiaokun Zhang , Mingxuan Yuan , Chen Ma

Accurately predicting protein fitness with minimal experimental data is a persistent challenge in protein engineering. We introduce PRIMO (PRotein In-context Mutation Oracle), a transformer-based framework that leverages in-context learning…

Biomolecules · Quantitative Biology 2025-12-03 Felix Teufel , Aaron W. Kollasch , Yining Huang , Ole Winther , Kevin K. Yang , Pascal Notin , Debora S. Marks

To find the best lattice model representation of a given full atom protein structure is a hard computational problem. Several greedy methods have been suggested where results are usually biased and leave room for improvement. In this paper…

Computational Engineering, Finance, and Science · Computer Science 2010-05-12 Martin Mann , Alessandro Dal Palù

Speech enhancement(SE) aims to recover clean speech from noisy recordings. Although generative approaches such as score matching and Schrodinger bridge have shown strong effectiveness, they are often computationally expensive. Flow matching…

Sound · Computer Science 2025-12-12 Liusha Yang , Ziru Ge , Gui Zhang , Junan Zhang , Zhizheng Wu

Protein language models (pLMs) have demonstrated success at generating functional proteins across vast sequence spaces but lack the ability to design high-fitness variants on demand. Here, we iteratively guide pLMs toward user-defined…

Biomolecules · Quantitative Biology 2025-12-01 Filippo Stocco , Maria Artigues-Lleixa , Andrea Hunklinger , Talal Widatalla , Marc Guell , Noelia Ferruz

Parameter-efficient fine-tuning (PEFT) has shown its effectiveness in adapting the pre-trained language models to downstream tasks while only updating a small number of parameters. Despite the success, most existing methods independently…

Computation and Language · Computer Science 2023-11-14 Hao Zhao , Jie Fu , Zhaofeng He

Proteins are traditionally optimized through the costly construction and measurement of many mutants. Active Learning-assisted Directed Evolution (ALDE) alleviates that cost by predicting the best improvements and iteratively testing…

Proteins are essential for almost all biological processes and derive their diverse functions from complex 3D structures, which are in turn determined by their amino acid sequences. In this paper, we exploit the rich biological inductive…

Rectified Flow offers a simple and effective approach to high-quality generative modeling by learning a velocity field. However, we identify a limitation in directly modeling the velocity with an unconstrained neural network: the learned…

Machine Learning · Computer Science 2025-10-21 Xixi Hu , Runlong Liao , Keyang Xu , Bo Liu , Yeqing Li , Eugene Ie , Hongliang Fei , Qiang Liu

Machine Learning-guided solutions for protein learning tasks have made significant headway in recent years. However, success in scientific discovery tasks is limited by the accessibility of well-defined and labeled in-domain data. To tackle…

Machine Learning · Computer Science 2023-01-06 Ria Vinod , Pin-Yu Chen , Payel Das

We revisit continual pre-training for large language models and argue that progress now depends more on scaling the right structure than on scaling parameters alone. We introduce SCALE, a width upscaling architecture that inserts…

Computation and Language · Computer Science 2025-12-12 Jin-woo Lee , Junhwa Choi , Bongkyu Hwang , Jinho Choo , Bogun Kim , JeongSeon Yi , Joonseok Lee , DongYoung Jung , Jaeseon Park , Kyoungwon Park , Suk-hoon Jung

Learning probabilistic surrogates for partial differential equations remains challenging in data-scarce regimes: neural operators require large amounts of high-fidelity data, while generative approaches typically sacrifice resolution…

Computation · Statistics 2025-12-18 Sahil Bhola , Karthik Duraisamy

Sparse neural networks are becoming increasingly important as the field seeks to improve the performance of existing models by scaling them up, while simultaneously trying to reduce power consumption and computational footprint.…

Machine Learning · Computer Science 2021-06-08 Siddhant M. Jayakumar , Razvan Pascanu , Jack W. Rae , Simon Osindero , Erich Elsen