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Transformers are the cornerstone of modern large language models, but their quadratic computational complexity limits efficiency in long-sequence processing. Recent advancements in Mamba, a state space model (SSM) with linear complexity,…

Machine Learning · Computer Science 2026-01-08 Yixing Li , Ruobing Xie , Zhen Yang , Xingwu Sun , Shuaipeng Li , Weidong Han , Zhanhui Kang , Yu Cheng , Chengzhong Xu , Di Wang , Jie Jiang

Traditional drug discovery programs are being transformed by the advent of machine learning methods. Among these, Generative AI methods (GM) have gained attention due to their ability to design new molecules and enhance specific properties…

Advances in neuroscience uncover the mechanisms employed by the brain to efficiently solve complex learning tasks with very limited resources. However, the efficiency is often lost when one tries to port these findings to a silicon…

Multi-modal learning that combines pathological images with genomic data has significantly enhanced the accuracy of survival prediction. Nevertheless, existing methods have not fully utilized the inherent hierarchical structure within both…

Computer Vision and Pattern Recognition · Computer Science 2024-12-05 Ying Chen , Jiajing Xie , Yuxiang Lin , Yuhang Song , Wenxian Yang , Rongshan Yu

The advent of single-cell multi-omics technologies has enabled the simultaneous profiling of diverse omics layers within individual cells. Integrating such multimodal data provides unprecedented insights into cellular identity, regulatory…

Cell Behavior · Quantitative Biology 2025-06-27 Zhen Yuan , Shaoqing Jiao , Yihang Xiao , Jiajie Peng

Materials discovery is decisive for tackling urgent challenges related to energy, the environment, health care and many others. In chemistry, conventional methodologies for innovation usually rely on expensive and incremental strategies to…

Machine Learning · Computer Science 2020-06-09 Daniel Schwalbe-Koda , Rafael Gómez-Bombarelli

Models that perform well on a training domain often fail to generalize to out-of-domain (OOD) examples. Data augmentation is a common method used to prevent overfitting and improve OOD generalization. However, in natural language, it is…

Computation and Language · Computer Science 2020-10-06 Nathan Ng , Kyunghyun Cho , Marzyeh Ghassemi

Standard language models generate text by selecting tokens from a fixed, finite, and standalone vocabulary. We introduce a novel method that selects context-aware phrases from a collection of supporting documents. One of the most…

Computation and Language · Computer Science 2024-03-19 Bowen Cao , Deng Cai , Leyang Cui , Xuxin Cheng , Wei Bi , Yuexian Zou , Shuming Shi

Mamba, a selective state-space model (SSM), has emerged as an efficient alternative to Transformers for speech modeling, enabling long-sequence processing with linear complexity. While effective in speech separation, existing approaches,…

Sound · Computer Science 2026-01-26 Ke Xue , Chang Sun , Rongfei Fan , Jing Wang , Han Hu

Transformers are the current architecture of choice for NLP, but their attention layers do not scale well to long contexts. Recent works propose to replace attention with linear recurrent layers -- this is the case for state space models,…

Computation and Language · Computer Science 2024-07-09 Hugo Pitorro , Pavlo Vasylenko , Marcos Treviso , André F. T. Martins

We propose Factorization Memory, an efficient recurrent neural network (RNN) architecture that achieves performance comparable to Transformer models on short-context language modeling tasks while also demonstrating superior generalization…

Computation and Language · Computer Science 2025-11-04 Lee Xiong , Maksim Tkachenko , Johanes Effendi , Ting Cai

Generative models show great promise for the inverse design of molecules and inorganic crystals, but remain largely ineffective within more complex structures such as amorphous materials. Here, we present a diffusion model that reliably…

Disordered Systems and Neural Networks · Physics 2026-01-21 Kai Yang , Daniel Schwalbe-Koda

Molecule optimization is a fundamental task for accelerating drug discovery, with the goal of generating new valid molecules that maximize multiple drug properties while maintaining similarity to the input molecule. Existing generative…

Machine Learning · Computer Science 2024-07-02 Tianfan Fu , Cao Xiao , Xinhao Li , Lucas M. Glass , Jimeng Sun

Machine learning methods can automate the in silico design of biological sequences, aiming to reduce costs and accelerate medical research. Given the limited access to wet labs, in silico design methods commonly use an oracle model to…

Machine Learning · Computer Science 2025-02-25 Shikha Surana , Nathan Grinsztajn , Timothy Atkinson , Paul Duckworth , Thomas D. Barrett

Regression testing is crucial in ensuring that pure code refactoring does not adversely affect existing software functionality, but it can be expensive, accounting for half the cost of software maintenance. Automated test case generation…

Software Engineering · Computer Science 2024-01-05 Alejandra Duque-Torres , Claus Klammer , Dietmar Pfahl , Stefan Fischer , Rudolf Ramler

State-of-the-art video object detection methods maintain a memory structure, either a sliding window or a memory queue, to enhance the current frame using attention mechanisms. However, we argue that these memory structures are not…

Computer Vision and Pattern Recognition · Computer Science 2024-02-02 Guanxiong Sun , Yang Hua , Guosheng Hu , Neil Robertson

Retrieval-Augmented Generation (RAG) is widely employed to mitigate risks such as hallucinations and knowledge obsolescence in medical question answering, yet its predominantly single-round, static retrieval paradigm misaligns with the…

Computation and Language · Computer Science 2026-05-19 Yongfeng Huang , Ruiying Chen , James Cheng

Exhaustive virtual screening is highly informative but often intractable against the expensive objective functions involved in modern drug discovery. This problem is exacerbated in combinatorial contexts such as multi-vector expansion,…

Machine Learning · Computer Science 2025-05-20 Tom George Grigg , Mason Burlage , Oliver Brook Scott , Adam Taouil , Dominique Sydow , Liam Wilbraham

Multilingual automatic speech recognition (ASR) remains a challenging task, especially when balancing performance across high- and low-resource languages. Recent advances in sequence modeling suggest that architectures beyond Transformers…

Computation and Language · Computer Science 2025-10-24 Mohamed Nabih Ali , Daniele Falavigna , Alessio Brutti

The Hardware Lottery posits that research directions are dictated by available silicon compute platforms. We identify a derivative phenomenon, the Hyperscale Lottery, where model architectures are optimized for cloud throughput at the…

Hardware Architecture · Computer Science 2026-04-10 Robin Geens , Jonas De Schouwer , Marian Verhelst , Thierry Tambe