Trending in Physics
AceFF: A State-of-the-Art Machine Learning Potential for Small Molecules
We introduce AceFF, a pre-trained machine learning interatomic potential (MLIP) optimized for small molecule drug discovery. While MLIPs have emerged as efficient alternatives to Density Functional Theory (DFT), generalizability across diverse chemical spaces remains difficult. AceFF addresses this via a refined TensorNet2 architecture trained on a comprehensive dataset of drug-like compounds. This approach yields a force field that balances high-throughput inference speed with DFT-level accuracy. AceFF fully supports the essential medicinal chemistry elements (H, B, C, N, O, F, Si, P, S, Cl, Br, I) and is explicitly trained to handle charged states. Validation against rigorous benchmarks, including complex torsional energy scans, molecular dynamics trajectories, batched minimizations, and forces and anergy accuracy demonstrates that AceFF establishes a new state-of-the-art for organic molecules. The AceFF-2 model weights and inference code are available at https://huggingface.co/Acellera/AceFF-2.0.
2601.00581
Jan 2026Chemical Physics
Color symmetry breaking in a nonlinear optical microcavity
Spontaneous symmetry breaking leads to diverse phenomena across the natural sciences, from the Higgs mechanism in particle physics to superconductors and collective animal behavior. In photonic systems, the symmetry of light states can be broken when two optical fields interact through the Kerr nonlinearity, as shown in early demonstrations with counterpropagating and cross-polarized modes. Here, we report the first observation of color symmetry breaking in an integrated silicon nitride microring, where spontaneous power imbalance arises between optical mode at different wavelengths, mediated by the Kerr effect. The threshold power for this effect is as low as 19 mW. By examining the system's homogeneous states, we further demonstrate a Kerr-based nonlinear activation-function generator that produces sigmoid-, quadratic-, and leaky-ReLU-like responses. These findings reveal previously unexplored nonlinear dynamics in dual-pumped Kerr resonators and establish new pathways towards compact, all-optical neuromorphic circuits.
2601.00792
Jan 2026Optics
Stable spectral neural operator for learning stiff PDE systems from limited data
Accurate modeling of spatiotemporal dynamics is crucial to understanding complex phenomena across science and engineering. However, this task faces a fundamental challenge when the governing equations are unknown and observational data are sparse. System stiffness, the coupling of multiple time-scales, further exacerbates this problem and hinders long-term prediction. Existing methods fall short: purely data-driven methods demand massive datasets, whereas physics-aware approaches are constrained by their reliance on known equations and fine-grained time steps. To overcome these limitations, we introduce an equation-free learning framework, namely, the Stable Spectral Neural Operator (SSNO), for modeling stiff partial differential equation (PDE) systems based on limited data. Instead of encoding specific equation terms, SSNO embeds spectrally inspired structures in its architecture, yielding strong inductive biases for learning the underlying physics. It automatically learns local and global spatial interactions in the frequency domain, while handling system stiffness with a robust integrating factor time-stepping scheme. Demonstrated across multiple 2D and 3D benchmarks in Cartesian and spherical geometries, SSNO achieves prediction errors one to two orders of magnitude lower than leading models. Crucially, it shows remarkable data efficiency, requiring only very few (2--5) training trajectories for robust generalization to out-of-distribution conditions. This work offers a robust and generalizable approach to learning stiff spatiotemporal dynamics from limited data without explicit \textit{a priori} knowledge of PDE terms.
2512.11686
Dec 2025Computational Physics
Adiabatic and Deterministic Routes to Soliton Combs in Non-Hermitian Kerr Cavities
We present a cardinal solution for the long-standing and fundamental problem associated with the adiabatic, reversible, and controlled excitation of both dark and bright solitons in Kerr micro-resonators with normal group velocity dispersion. Our findings stem from the inclusion of a localised non-Hermitian potential, which we use to drastically reshape the characteristic collapsed snaking structure associated with such solitons. Consequently, we demonstrate a novel snaking-free bifurcation landscape where solitons of all possible widths are continuously connected via the dynamic change of the cavity detuning, and hence dissipative localised states of unprecedentedly high pump-to-comb conversion efficiencies can be excited in an adiabatic, deterministic, and reversible fashion. Our fundamental discovery has practical implications of paramount importance for frequency comb generation in all-normal dispersion cavities, which are key to comb generation in most spectral regions away from the telecom bands.
2512.11581
Dec 2025Optics
A low-cost ice melt monitoring system using wind-induced motion of mass-balance stakes
Surface ablation measurements of glaciers are critical for understanding mass change over time. Mass-balance stakes are commonly used for localized measurements, with the exposed length typically measured manually at infrequent intervals. This paper presents the design and validation of new instrumentation that automates mass-balance stake readings, thus enabling continuous measurements with high temporal resolution. The instrumentation comprises readout electronics that are mounted on mass-balance stakes to measure wind-induced vibrations. The stake vibrational frequency depends sensitively on the exposed length, and changes in the measured frequency therefore probe glacier surface melt and accumulation. Initial instrumentation field tests conducted at Color Lake on Umingmat Nunaat (Axel Heiberg Island), Nunavut, demonstrate centimeter-level precision on length measurements. The instrumentation can be attached to existing mass-balance stakes and is low-cost (~ $50 USD) in comparison to many other systems that perform automated surface ablation measurements. The accessibility of this instrumentation opens new possibilities for localized, high temporal resolution measurements of glacier surface activity at any locations where mass balance stakes are deployed.
2512.11768
Dec 2025Instrumentation and Detectors
Pólya urn model for analysis of football passes
This study analyzes pass networks in football (soccer) using a stochastic model known as the Pólya urn. By focusing on preferential selection, it theoretically demonstrates that the time evolution of networks can be characterized by a single parameter. Building on this result, a data analysis method is proposed and applied to a large-scale public dataset of professional football matches. The statistical properties of the preferential-selection parameter are examined, demonstrating its correlation with pass accuracy and with mean pass difficulty. This method is applicable to various evolving networks.
2511.04089
Nov 2025Physics and Society