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Volume 6 Issue 1, January 2024

A detour for neural representations

Training a neural network, which involves optimizing its parameters to reduce a loss function, can be thought of as moving through a landscape with hills of high error and valleys of low error. In the cover image, the red line shows such a trajectory, moving along the gradient towards lower loss. In this issue, Ciceri et al. describe that in successfully learning classification tasks, this training trajectory does not follow a direct route. Instead, the path takes a detour, shown here in brighter red, in which the representation of the data separates in training before later rejoining.

See Ciceri et al.

Image: Marco Gherardi, Università degli Studi di Milano. Cover design: Amie Fernandez

Editorial

  • We reflect on five years of Nature Machine Intelligence and on providing a venue for discussions in AI.

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Correspondence

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Features

  • For our fifth anniversary, we reconnected with authors of recent Comments and Perspectives in Nature Machine Intelligence and asked them how the topic they wrote about developed. We also wanted to know what other topics in AI they found exciting, surprising or worrying, and what their hopes and expectations are for AI in 2024—and the next five years. A recurring theme is the ongoing developments in large language models and generative AI, their transformative effect on the scientific process and concerns about ethical implications.

    • Noelia Ferruz
    • Marinka Zitnik
    • Francesco Stella
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News & Views

  • The implementation of particle-tracking techniques with deep neural networks is a promising way to determine particle motion within complex flow structures. A graph neural network-enhanced method enables accurate particle tracking by significantly reducing the number of lost trajectories.

    • Séverine Atis
    • Lionel Agostini
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Reviews

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Research

  • Single-cell transcriptomics has provided a powerful approach to investigate cellular properties at unprecedented resolution. Sha et al. have developed an optimal transport-based algorithm called TIGON that can connect transcriptomic snapshots from different time points to obtain collective dynamical information, including cell population growth and the underlying gene regulatory network.

    • Yutong Sha
    • Yuchi Qiu
    • Qing Nie
    Article Open Access
  • Drug design has recently seen immense improvements in computational methods, but models can still struggle generalizing across binding pockets. Feng and colleagues combine a language model with geometric deep learning to provide efficient generation of potential new drugs.

    • Wei Feng
    • Lvwei Wang
    • Wenbiao Zhou
    Article Open Access
  • Designing antibodies and assessing their biophysical properties for potential therapeutic development is challenging with current computational methods. Ramon et al. have developed a deep learning approach called AbNatiV, based on a vector-quantized variational encoder that accurately assesses the nativeness of antibodies and nanobodies, which are small single-domain antibodies that have recently attracted considerable interest.

    • Aubin Ramon
    • Montader Ali
    • Pietro Sormanni
    Article Open Access
  • Magnetic microrobots are of considerable interest for non-invasive biomedical applications but it is challenging to develop a general strategy for controlling microrobot positions, for varying configurations and environments. Choi et al. develop a reinforcement learning control method, training the model in a simulation environment for initial exploration after which the learning process is transferred to a physical electromagnetic actuation system.

    • Sarmad Ahmad Abbasi
    • Awais Ahmed
    • Hongsoo Choi
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  • Accurate real-time tracking of dexterous hand movements and interactions has applications in human–computer interaction, the metaverse, robotics and tele-health. Capturing realistic hand movements is challenging due to the large number of articulations and degrees of freedom. Tashakori and colleagues report accurate and dynamic tracking of articulated hand and finger movements using machine-learning powered stretchable, washable smart gloves.

    • Arvin Tashakori
    • Zenan Jiang
    • Peyman Servati
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