Search arXiv⌕ Search

arXiv subjects

Matteo Dal Peraro

Publications and source records attributed to Matteo Dal Peraro.

3 recordsLinked to original sources

Experimental evidence of generalization in quantum machine learning in small-data regime

Quantum machine learning is a promising paradigm for learning from limited data, a central bottleneck in domains such as medical imaging, clinical trials, and rare diseases. Quantum convolutional neural networks (QCNNs) are particularly attractive in this setting, combining a hierarchical architecture with strong inductive bias and a parameter count that grows only logarithmically with system size. Their appeal rests on the generalization bounds of Caro et al. (2022), which show that the generalization error of a quantum model scales with the number of trainable parameters rather than with the Hilbert-space dimension, placing QCNNs in a potentially sample-efficient regime. We develop a hardware-compatible QCNN with mid-circuit measurement and classical feed-forward, and show on a binary handwritten-digit task that strong test performance is achievable from as few as 10 training samples, with the generalization error decreasing as the training set grows. At a matched 45-parameter budget the QCNN learns where an equally small classical convolutional network stays at chance, although an unconstrained classical baseline with roughly 25,000 parameters remains strongest when data are plentiful. Transpiling amplitude and angle encoded circuits across image resolutions from 2x2 to 512x512 pixels then exposes the dominant scaling bottleneck: amplitude encoding stays qubit-efficient but grows extremely deep, whereas angle encoding stays shallow but becomes qubit-prohibitive. On the medically motivated BreastMNIST benchmark the QCNN does not surpass the unconstrained classical network, yet it learns consistently above chance using orders of magnitude fewer parameters. Our results indicate that for QCNNs, learning from few samples is attainable in practice, whereas scaling to realistic image data is constrained less by optimization than by data encoding and hardware execution.

quant-ph↗

The need to implement FAIR principles in biomolecular simulations

This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necessity of a collaborative effort to create, establish, and sustain a database that allows findability, accessibility, interoperability, and reusability of molecular dynamics simulation data. Such a development would democratize the field and significantly improve the impact of MD simulations on life science research. This will transform our working paradigm, pushing the field to a new frontier. We invite you to support our initiative at the MDDB community (https://mddbr.eu/community/) Now published as: Amaro, R.E., et al. The need to implement FAIR principles in biomolecular simulations. Nat Methods (2025) https://doi.org/10.1038/s41592-025-02635-0

q-bio.BM↗

MolecularWebXR: Multiuser discussions about chemistry and biology in immersive and inclusive VR

MolecularWebXR is our new website for education, science communication and scientific peer discussion in chemistry and biology built on WebXR. It democratizes multi-user, inclusive virtual reality (VR) experiences that are deeply immersive for users wearing high-end headsets, yet allow participation by users with consumer devices such as smartphones, possibly inserted into cardboard goggles for immersivity, or even computers or tablets. With no installs as it is all web-served, MolecularWebXR enables multiple users to simultaneously explore, communicate and discuss chemistry and biology concepts in immersive 3D environments, manipulating objects with their bare hands, either present in the same real space or scattered throughout the globe thanks to built-in audio features. A series of preset rooms cover educational material on chemistry and structural biology, and an empty room can be populated with material prepared ad hoc using moleculARweb's VMD-based PDB2AR tool. We verified ease of use and versatility by users aged 12-80 in entirely virtual sessions or mixed real-virtual sessions at science outreach events, student instruction, scientific collaborations, and conference lectures. MolecularWebXR is available for free use without registration at https://molecularwebxr.org, and a blog post version of this preprint with embedded videos is available at https://go.epfl.ch/molecularwebxr-blog-post.

cs.HC↗