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A physical neural network (PNN) has both the strong potential to solve machine learning tasks and intrinsic physical properties, such as high-speed computation and energy efficiency. Reservoir computing (RC) is an excellent framework for…

Chaotic Dynamics · Physics 2024-12-18 Tomoyuki Kubota , Yusuke Imai , Sumito Tsunegi , Kohei Nakajima

Designing ligand-binding proteins, such as enzymes and biosensors, is essential in bioengineering and protein biology. One critical step in this process involves designing protein pockets, the protein interface binding with the ligand.…

Biomolecules · Quantitative Biology 2024-10-01 Zaixi Zhang , Marinka Zitnik , Qi Liu

Neural Architecture Search (NAS) has gained widespread attention for its transformative potential in deep learning model design. However, the vast and complex search space of NAS leads to significant computational and time costs. Neural…

Neural and Evolutionary Computing · Computer Science 2025-09-30 Bingye Zhou , Caiyang Yu , Chenwei Tang

Living organisms must respond to environmental changes. Generally, accurate and rapid responses are provided by simple, unidirectional networks that connect inputs with outputs. Besides accuracy and speed, biological responses should also…

Molecular Networks · Quantitative Biology 2021-09-01 Masayo Inoue , Kunihiko Kaneko

Natural language generation (NLG) plays a critical role in spoken dialogue systems. This paper presents a new approach to NLG by using recurrent neural networks (RNN), in which a gating mechanism is applied before RNN computation. This…

Computation and Language · Computer Science 2017-07-12 Van-Khanh Tran , Le-Minh Nguyen

Flow-based models have proven successful for time-series generation, particularly when defined in lower-dimensional latent spaces that enable efficient sampling. However, how to design latent representations with desirable equivariance…

Machine Learning · Computer Science 2026-02-02 Camilo Carvajal Reyes , Felipe Tobar

Recent advances in Large Language Models (LLMs) have significantly improved complex reasoning capabilities. Retrieval-Augmented Generation (RAG) has further extended these capabilities by grounding generation in dynamically retrieved…

Computation and Language · Computer Science 2026-02-23 Jash Rajesh Parekh , Pengcheng Jiang , Jiawei Han

Retrieval-Augmented Generation (RAG) is increasingly employed in generative AI-driven scientific workflows to integrate rapidly evolving scientific knowledge bases, yet its reliability is frequently compromised by non-determinism in their…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-24 Baiqiang Wang , Dongfang Zhao , Nathan R Tallent , Luanzheng Guo

We propose generative neural network methods to generate DNA sequences and tune them to have desired properties. We present three approaches: creating synthetic DNA sequences using a generative adversarial network; a DNA-based variant of…

Machine Learning · Computer Science 2017-12-19 Nathan Killoran , Leo J. Lee , Andrew Delong , David Duvenaud , Brendan J. Frey

Neural network based approaches to data-to-text natural language generation (NLG) have gained popularity in recent years, with the goal of generating a natural language prompt that accurately realizes an input meaning representation. To…

Computation and Language · Computer Science 2020-11-06 Yuheng Du , Shereen Oraby , Vittorio Perera , Minmin Shen , Anjali Narayan-Chen , Tagyoung Chung , Anu Venkatesh , Dilek Hakkani-Tur

Next-generation sequencing (NGS) is a pivotal technique in genome sequencing due to its high throughput, rapid results, cost-effectiveness, and enhanced accuracy. Its significance extends across various domains, playing a crucial role in…

Genomics · Quantitative Biology 2025-04-28 Fathima Nuzla Ismail , Shanika Amarasoma

Retrieval-augmented generation (RAG) has become a cornerstone for knowledge-intensive tasks. However, the efficacy of RAG is often bottlenecked by the ``one-size-fits-all'' retrieval paradigm, as different queries exhibit distinct…

Information Retrieval · Computer Science 2026-04-28 Tong Zhao , Yutao Zhu , Yucheng Tian , Zhicheng Dou

RNA design consists of discovering a nucleotide sequence that folds into a target secondary structure. It is useful for synthetic biology, medicine, and nanotechnology. We propose Montparnasse, a Multi Objective Generalized Nested Rollout…

Artificial Intelligence · Computer Science 2025-05-06 Tristan Cazenave

A critical step of genome sequence analysis is the mapping of sequenced DNA fragments (i.e., reads) collected from an individual to a known linear reference genome sequence (i.e., sequence-to-sequence mapping). Recent works replace the…

RNA inverse folding, designing sequences to form specific 3D structures, is critical for therapeutics, gene regulation, and synthetic biology. Current methods, focused on sequence recovery, struggle to address structural objectives like…

Machine Learning · Computer Science 2026-01-28 Qi Si , Xuyang Liu , Penglei Wang , Xin Guo , Yuan Qi , Yuan Cheng

Many problems in database systems, such as cardinality estimation, database testing and optimizer tuning, require a large query load as data. However, it is often difficult to obtain a large number of real queries from users due to user…

Databases · Computer Science 2023-03-28 Weihua Sun , Run-An Wang , Zhaonian Zou

Generating molecular graphs is crucial in drug design and discovery but remains challenging due to the complex interdependencies between nodes and edges. While diffusion models have demonstrated their potentiality in molecular graph design,…

Machine Learning · Computer Science 2024-11-11 Xiaoyang Hou , Tian Zhu , Milong Ren , Dongbo Bu , Xin Gao , Chunming Zhang , Shiwei Sun

Neural random fields (NRFs), referring to a class of generative models that use neural networks to implement potential functions in random fields (a.k.a. energy-based models), are not new but receive less attention with slow progress.…

Machine Learning · Statistics 2020-07-23 Yunfu Song , Zhijian Ou

The tasks of designing RNAs are discrete optimization problems, and several versions of these problems are NP-hard. As an alternative to commonly used local search methods, we formulate these problems as continuous optimization and develop…

Biomolecules · Quantitative Biology 2024-03-04 Ning Dai , Wei Yu Tang , Tianshuo Zhou , David H. Mathews , Liang Huang

Diffusion models have demonstrated remarkable success in various domains, including molecular generation. However, conditional molecular generation remains a fundamental challenge due to an intrinsic trade-off between targeting specific…

Machine Learning · Computer Science 2024-11-04 Hojung Jung , Youngrok Park , Laura Schmid , Jaehyeong Jo , Dongkyu Lee , Bongsang Kim , Se-Young Yun , Jinwoo Shin