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Journal

APL Machine Learning

Scopus

ISSN 2770-9019 · AIP Publishing LLC · 279 articles in the index

  1. Journal Article Full text

    Osprey: Production-ready agentic AI for safety-critical control systems

    Thorsten Hellert; João Montenegro; Antonin Sulc

    APL Machine Learning, Vol. 4 No. 1 · 2026 · English · DOAJ Scopus

    Operating large-scale scientific facilities requires coordinating diverse subsystems, translating operator intent into precise hardware actions, and maintaining strict safety oversight. Language model-driven agents offer a natural interface for these tasks, but most existing approaches are not yet…

  2. Journal Article Full text

    Efficient knowledge distillation via salient feature masking

    Assel Kembay; Skye Gunasekaran; Rui-Jie Zhu et al.

    APL Machine Learning, Vol. 4 No. 1 · 2026 · English · DOAJ Scopus

    Traditional Knowledge Distillation (KD) transfers all outputs from a teacher model to a student model, often introducing knowledge redundancy. This redundancy dilutes critical information, leading to degraded student model performance. To address this, we propose Salient Feature Masking for…

  3. Journal Article Full text

    Bringing ML to the real world: Rewards are all we need

    Sergei V. Kalinin; Boris N. Slautin; Yu Liu et al.

    APL Machine Learning, Vol. 4 No. 1 · 2026 · English · DOAJ Scopus

    Realizing the promise of artificial intelligence (AI) to accelerate scientific progress and deliver technological impact depends on how effectively AI can be integrated into real-world decision-making processes. As Peter Norvig states, “Somewhat remarkably, almost all AI research until very…

  4. Journal Article Full text

    A systematic analysis on the relationship between reservoir-computing capacities and physical properties of spin waves

    Y. Miyasaka; A. Hirose; R. Nakane

    APL Machine Learning, Vol. 4 No. 1 · 2026 · English · DOAJ Scopus

    We experimentally demonstrate spin-wave-based reservoir computing (RC) using a device with one-input and nine-output antennas on a yttrium iron garnet film, and we study the relationship between nonlinear phenomena and computational capacities to clarify the mechanism of computing. First, a single…

  5. Journal Article Full text

    INR-TEM: Robust cavity detection in multifocus TEM images via implicit neural representations

    Chan-Min Hsu; Siyuan Xu; Matthew J. Lynch et al.

    APL Machine Learning, Vol. 4 No. 1 · 2026 · English · DOAJ Scopus

    When characterizing materials using transmission electron microscopy (TEM) images, detecting and quantifying small features in microstructures, such as cavities, pose significant challenges. Off-the-shelf object detection models, including YOLOv8, show considerable performance degradation…

  6. Journal Article Full text

    FE-PINNs: Finite-element-based physics-informed neural networks for surrogate modeling

    Pranav Sunil; Ryan B. Sills

    APL Machine Learning, Vol. 4 No. 1 · 2026 · English · DOAJ Scopus

    We present a method whereby the finite element (FE) method is used to train physics-informed neural networks that are suitable for surrogate modeling. The method is based on a new class of mesh-based neural network operators called stenciled operators, which leverage the inverse isoparametric map…

  7. Journal Article Full text

    Robust learning from literature data: Model generalizability and uncertainty for predicting conjugated polymer solution conformation

    Sina Dehghan-Toranposhti; Mohannad Alghamdi; Avery Smith et al.

    APL Machine Learning, Vol. 4 No. 1 · 2026 · English · DOAJ Scopus

    Predicting solution conformation and aggregation of conjugated polymers remains a bottleneck for translating solution processing into controlled film microstructures and for closing the loop in self-driving laboratories. We construct a cleaned, machine-readable dataset of 256 entries that links…

  8. Journal Article Full text

    Structural benchmarks overlook density-of-states errors in machine-learned interatomic potentials

    Shao-Yu Tseng; Guangshuai Han; Tianhao Li et al.

    APL Machine Learning, Vol. 4 No. 3 · 2026 · English · DOAJ Scopus

    Universal machine-learned interatomic potentials are widely used as fast surrogates for density functional theory in structural modeling. Standard benchmarks emphasize energies, forces, and relaxed geometries. Whether the resulting structures also preserve the density of states remains largely…

  9. Journal Article Full text

    Graph neural network force fields for adiabatic dynamics of lattice Hamiltonians

    Yunhao Fan; Gia-Wei Chern

    APL Machine Learning, Vol. 4 No. 3 · 2026 · English · DOAJ Scopus

    Scalable and symmetry-consistent force-field models are essential for extending quantum-accurate simulations to large spatiotemporal scales. While descriptor-based neural networks can incorporate lattice symmetries through carefully engineered features, we show that graph neural networks (GNNs)…

  10. Journal Article Full text

    Modeling sessile drop interfaces using physics-informed neural networks

    Hogan Choi; Leyun Feng; Wonjae Choi et al.

    APL Machine Learning, Vol. 4 No. 4 · 2026 · English · DOAJ Scopus

    We investigate the application of physics-informed neural networks (PINNs) to simulate sessile drops interacting with surfaces exhibiting heterogeneous wettability and contact angle hysteresis. Unlike traditional mesh-based numerical methods, the PINN models the drop shape by minimizing a set of…

  11. Journal Article Full text

    Explainable distributional structure of MXene compositions revealed by Shapley analysis

    Tommy Liu; Amanda S. Barnard

    APL Machine Learning, Vol. 4 No. 2 · 2026 · English · DOAJ Scopus

    Explainable artificial intelligence methods are increasingly essential for extracting physical insight from high-throughput computational materials data. We apply the Shapley behavioral transformation framework to two MXene datasets to characterize how individual compositions contribute to dataset…

  12. Journal Article Full text

    Persistent homology as efficient phase descriptor for 2D skyrmion lattices

    Michiki Taniwaki; Thomas Brian Winkler; Jan Rothörl et al.

    APL Machine Learning, Vol. 4 No. 2 · 2026 · English · DOAJ Scopus

    Two-dimensional (2D) particle systems, such as magnetic skyrmions, exhibit topological phase transitions between unique 2D phases. However, a simple and computationally efficient methodology to capture lattice configurational properties and construct an appropriate, easily calculable indicator for…

  13. Journal Article Full text

    A case study on the performance metrics of integrated photonic computing

    Frank Brückerhoff-Plückelmann; Jelle Dijkstra; Julian Büchel et al.

    APL Machine Learning, Vol. 4 No. 2 · 2026 · English · DOAJ Scopus

    Photonic processors use optical signals for computation, leveraging the high bandwidth and low loss of optical links. While many approaches have been proposed, including in-memory photonic circuits, most efforts have focused on the physical design of photonic components rather than full…

  14. Journal Article Full text

    Collocation geometry creates structural blind spots in physics-informed neural networks

    Eliezer Keinan; Elishai Ezra Tsur

    APL Machine Learning, Vol. 4 No. 3 · 2026 · English · DOAJ Scopus

    Physics-informed neural networks (PINNs) minimize empirical residuals of governing equations, but a small sampled residual need not certify the structural properties of the underlying partial differential equation (PDE). We examine this issue from a discrete least-squares viewpoint using…

  15. Journal Article Full text

    Demonstration of machine-learning-based control for femtosecond-level pulse-shaping applications

    J. H. Nicolau; S. M. Buczek; G. W. Collins, IV et al.

    APL Machine Learning, Vol. 4 No. 3 · 2026 · English · DOAJ Scopus

    Advancements in laser-based secondary radiation sources are being made by controlling the pulse shape of ultrafast, high-power laser systems away from its best-compressed level (shortest duration). Pulse shaping at the femtosecond level relies on control over a combination of both the laser…

  16. Journal Article Full text

    Magnetic field reconstruction from proton radiography via physics-guided out-of-distribution filtering

    Chun-Sung Jao; Chiung-Yin Chang; Kun-Han Lee et al.

    APL Machine Learning, Vol. 4 No. 3 · 2026 · English · DOAJ Scopus

    Reconstructing multidimensional vector fields from path-integrated projection data is a fundamental challenge in high-energy-density physics, particularly when experimental sources exhibit spectral broadening and shot-to-shot jitter. We present a physics-guided deep-learning framework that…

  17. Journal Article Full text

    Physics-informed neural networks for the point defect model: Solving and inverting passive-film growth kinetics

    Mohid Farooqi; Ingmar Bösing; Conrard Giresse Tetsassi Feugmo

    APL Machine Learning, Vol. 4 No. 3 · 2026 · English · DOAJ Scopus

    Predicting how passive oxide films grow and break down is central to corrosion science and the long-term integrity of structural alloys, and the point defect model (PDM) is the standard kinetic description: a stiff, coupled system of Nernst–Planck, Poisson, and Butler–Volmer equations on a moving…

  18. Journal Article Full text

    Multimodal and cross-modal learning techniques

    Anand Babu; N. M. Anoop Krishnan

    APL Machine Learning, Vol. 4 No. 3 · 2026 · English · DOAJ Scopus

    Scientific machine learning is becoming a powerful approach for accelerating discovery across materials science, chemistry, biology, and autonomous experimentation. However, scientific phenomena are rarely defined by a single observation. In materials science, a material or experiment may be…

  19. Journal Article Full text

    Automated multiphase identification and refinement in powder diffraction using mismatch-tolerant machine learning

    Lalit Yadav; Yongqiang Cheng; Mathieu Doucet

    APL Machine Learning, Vol. 4 No. 3 · 2026 · English · DOAJ Scopus

    Powder diffraction is a primary structural characterization tool in materials science, yet automated phase identification remains a major bottleneck for autonomous discovery. Existing workflows rely heavily on search–match heuristics and manual Rietveld refinement, and broadly usable end-to-end…

  20. Journal Article Full text

    A scanner-informed synthetic overlay benchmark dataset for EUV lithography calibration

    Aris Magklaras; George Tsirogiannis; Christos Gogos et al.

    APL Machine Learning, Vol. 4 No. 3 · 2026 · English · DOAJ Scopus

    We present EUV-OVL-SYN, an open and fully reproducible synthetic benchmark dataset for EUV lithography. Overlay error, the misalignment between consecutive patterning layers, is a primary yield-limiting factor at advanced nodes, yet the absence of publicly available, physically realistic datasets…