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The advent of deep learning has introduced efficient approaches for de novo protein sequence design, significantly improving success rates and reducing development costs compared to computational or experimental methods. However, existing…

Artificial Intelligence · Computer Science 2024-07-11 Yutong Hu , Yang Tan , Andi Han , Lirong Zheng , Liang Hong , Bingxin Zhou

Large-scale Protein Language Models (PLMs) have improved performance in protein prediction tasks, ranging from 3D structure prediction to various function predictions. In particular, AlphaFold, a ground-breaking AI system, could potentially…

Quantitative Methods · Quantitative Biology 2022-10-18 Mingyang Hu , Fajie Yuan , Kevin K. Yang , Fusong Ju , Jin Su , Hui Wang , Fei Yang , Qiuyang Ding

Determining the ideal architecture for deep learning models, such as the number of layers and neurons, is a difficult and resource-intensive process that frequently relies on human tuning or computationally costly optimization approaches.…

Artificial Intelligence · Computer Science 2025-04-22 Saad Hameed , Basheer Qolomany , Samir Brahim Belhaouari , Mohamed Abdallah , Junaid Qadir , Ala Al-Fuqaha

Spoken Language Models (SLMs) are increasingly central to modern speech-driven applications, but performance degrades under acoustic shift - real-world noise, reverberation, and microphone variation. Prior solutions rely on offline domain…

Score Distillation Sampling (SDS) enables high-quality text-to-3D generation by supervising 3D models through the denoising of multi-view 2D renderings, using a pretrained text-to-image diffusion model to align with the input prompt and…

Computer Vision and Pattern Recognition · Computer Science 2025-09-22 Weimin Bai , Yubo Li , Weijian Luo , Wenzheng Chen , He Sun

Computational models starting from large ensembles of evolutionarily related protein sequences capture a representation of protein families and learn constraints associated to protein structure and function. They thus open the possibility…

Biomolecules · Quantitative Biology 2024-12-30 Damiano Sgarbossa , Umberto Lupo , Anne-Florence Bitbol

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

Formal languages are an integral part of modeling and simulation. They allow the distillation of knowledge into concise simulation models amenable to automatic execution, interpretation, and analysis. However, the arguably most humanly…

Machine Learning · Computer Science 2025-10-23 Justin N. Kreikemeyer , Miłosz Jankowski , Pia Wilsdorf , Adelinde M. Uhrmacher

Self-supervised neural language models have recently achieved unprecedented success, from natural language processing to learning the languages of biological sequences and organic molecules. These models have demonstrated superior…

Understanding the latent space geometry of large language models (LLMs) is key to interpreting their behavior and improving alignment. Yet it remains unclear to what extent LLMs linearly organize representations related to semantic…

Computation and Language · Computer Science 2026-01-22 Baturay Saglam , Paul Kassianik , Blaine Nelson , Sajana Weerawardhena , Yaron Singer , Amin Karbasi

Procedural generation techniques in 3D rendering engines have revolutionized the creation of complex environments, reducing reliance on manual design. Recent approaches using Large Language Models (LLMs) for 3D scene generation show promise…

Computer Vision and Pattern Recognition · Computer Science 2026-02-13 Arafa Yoncalik , Wouter Jansen , Nico Huebel , Mohammad Hasan Rahmani , Jan Steckel

Investigating conformational landscapes of proteins is a crucial way to understand their biological functions and properties. AlphaFlow stands out as a sequence-conditioned generative model that introduces flexibility into structure…

Machine Learning · Computer Science 2024-07-18 Shaoning Li , Mingyu Li , Yusong Wang , Xinheng He , Nanning Zheng , Jian Zhang , Pheng-Ann Heng

Large Language Models (LLMs) have significantly advanced molecular discovery, but existing multimodal molecular architectures fundamentally rely on autoregressive (AR) backbones. This strict left-to-right inductive bias is sub-optimal for…

Artificial Intelligence · Computer Science 2026-04-08 Seohyeon Shin , HanJun Choi , Jun-Hyung Park , Hong Kook Kim , Mansu Kim

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…

We propose a method to fuse frozen text-only large language models (LLMs) with pre-trained image encoder and decoder models, by mapping between their embedding spaces. Our model demonstrates a wide suite of multimodal capabilities: image…

Computation and Language · Computer Science 2023-10-16 Jing Yu Koh , Daniel Fried , Ruslan Salakhutdinov

Generating structured textual content requires mechanisms that enforce coherence, stability, and adherence to predefined constraints while maintaining semantic fidelity. Conventional approaches often rely on rule-based heuristics or…

Computation and Language · Computer Science 2025-08-11 Derek Yotheringhay , Beatrix Nightingale , Maximilian Featherstone , Edmund Worthington , Hugo Ashdown

Designing novel functional proteins crucially depends on accurately modeling their fitness landscape. Given the limited availability of functional annotations from wet-lab experiments, previous methods have primarily relied on…

Machine Learning · Computer Science 2024-12-03 Zuobai Zhang , Pascal Notin , Yining Huang , Aurélie Lozano , Vijil Chenthamarakshan , Debora Marks , Payel Das , Jian Tang

Language models such as RNN, LSTM or other variants have been widely used as generative models in natural language processing. In last few years, taking source code as natural languages, parsing source code into a token sequence and using a…

Software Engineering · Computer Science 2019-10-28 Yixiao Yang

Recent advances show that large language models (LLMs) generalize strong performance across different natural language benchmarks. However, the large size of LLMs makes training and inference expensive and impractical to run in…

Computation and Language · Computer Science 2024-10-22 Laurence Liang

Generative chemical language models (CLMs) have demonstrated strong capabilities in molecular design, yet their impact in drug discovery remains limited by the absence of reliable reward signals and the lack of interpretability in their…

Machine Learning · Computer Science 2025-07-15 Lu Zhu , Emmanuel Noutahi
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