Expander SAEs apply left-d-regular expander masks to TopK SAEs, learning only dn decoder parameters instead of mn and tracing a storage-fidelity frontier that reaches 293x compression with 84% retained performance on Qwen2.5-3B.
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The normalized orbit of a bounded normal operator can be a frame, providing a counterexample to Conjecture 3.
Introduces the largest freely available Italian clinical notes corpus with 4M notes and expert-annotated subset for a new CRF-filling benchmark.
Machine learning methods discover a new noncrossing-partition statistic interpreting q,t-Narayana polynomials and yield a combinatorial proof of their symmetry.
SLayerGen generates crystals invariant to any space or layer group via autoregressive lattice and Wyckoff sampling plus equivariant diffusion, achieving gains over bulk models on diperiodic materials after correcting a prior loss inconsistency for hexagonal groups.
Every proper minor-closed graph class admits an optimal (1+o(1)) log n bit adjacency labeling scheme.
A directed weighted two-graph model separates feasibility from movement in solution discovery and yields a detailed complexity classification for path and shortest-path discovery.
The method reformulates ALE mesh motion as independent multi-patch spline parameterizations per time step, using barrier functions, tangential-slip reparameterization, and constant-preserving quasi-interpolation to enable large-rotation FSI simulations.
Superconductivity in high-pressure MnB4 is induced by altermagnetic spin fluctuations, yielding extended-s pairing symmetry.
A new qubit-efficient HUBO encoding for graph partitioning problems like minimum coloring uses logarithmic bits and a lexicographic penalty to cut resources while providing provable optimality conditions.
A survey of 172 open educational datasets from 204 papers across LAK, EDM, and AIED conferences reveals trends, 143 previously uncatalogued datasets, field gaps, and an 8-item PRACTICE checklist for better data publication.
A microlocal lift of Navier-Stokes dynamics on manifolds yields an if-and-only-if geometric criterion for solution blow-up in terms of deformation integrability, directional entropy, and lifted energy.
A 9U CubeSat detector can identify a thermonuclear weapon on a satellite from 4 km away by observing spallation neutrons induced by GeV protons in roughly one week.
O(n log n) algorithm and matching Omega(n log n) lower bound for partitioning a simple polygon's boundary into the minimum number of contiguous visible segments.
Introduces a method to design structure-specific relational inductive biases for a base transformer architecture, enabling end-to-end transcription of documents with intrinsic structures, demonstrated on sheet music, shape drawings, and mechanical engineering drawings.
The paper introduces a probabilistic sign rule for quotients of positive series and integral transforms that reduces monotonicity, log-supermodularity, and log-convexity to kernel sign criteria via moment identities, and applies it to derive new inequalities for hypergeometric, Stieltjes, and Prabha
SPoILeR uses multimodal pre-training to enable accurate novel view synthesis of infrared, polarimetric, and multispectral data from RGB-supervised fine-tuning on new scenes.
NEvo performs evolutionary search guided by a dynamic voxel-level encoding model to synthesize videos that maximize predicted activity in target brain ROIs, recovering known selectivities and revealing temporal dynamics differences.
Every n-vertex H-minor-free graph admits a 3-coloring with monochromatic components of size O_H(n^{4/9}).
The Spin-MInt algorithm is proven symplectic for general K electronic states via explicit verification of the condition MJM^T = J on the coadjoint orbit of the su(K) Lie-Poisson algebra.
The authors synthesize a typology of fourteen OSS sub-genres from a review of 3,925 papers and present a research agenda on cross-sub-genre generalization.
Structural identifiability analysis shows point sources restore identifiability for inferring spatial stochastic dynamics parameters from static snapshots, unlike distributed sources, with limits depending on modeling choices.
Maximal quantum leakage upper-bounds quantum inference accuracy; optimal encodings are pure states, with tight frames and equiangular tight frames optimal when system dimension is small.
In multistage SI(k)R models, the relationship between prevalence peak and weighted stage functional maxima varies with scaling of progression rates, converging under Erlang scaling to a delay model that justifies the factor-two approximation with error bounds and corrections.
citing papers explorer
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SLayerGen: a Crystal Generative Model for all Space and Layer Groups
SLayerGen generates crystals invariant to any space or layer group via autoregressive lattice and Wyckoff sampling plus equivariant diffusion, achieving gains over bulk models on diperiodic materials after correcting a prior loss inconsistency for hexagonal groups.
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Endowing variational phase-field fracture models with custom strength criteria
A state-dependent dissipation potential is used to add arbitrary elastic domains to variational phase-field fracture models while keeping degradation and strength criteria separate.
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Gradient-Based Topology Optimization of Localized Defect Modes with Bandgap Preservation in Phononic Crystals
A two-stage topology optimization framework places localized defect modes at prescribed frequencies in phononic crystals while preserving the host bandgap using a mode-selection function.
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A Local Probe Mass Spectrometer for Localized and Sensitive Product Detection in Environmental Electron Microscopy
A micro-capillary local probe mass spectrometer is integrated with open-cell ETEM for localized product detection, demonstrated with Co3O4 nanoplates placed via a micro-shuttle transfer method.
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Epitaxial growth and magnetic phase transitions in non-centrosymmetric EuPdSi$_3$ thin films
First epitaxial EuPdSi3 thin films on MgO exhibit two zero-field magnetic transitions at 19 K and 15 K with distinct field-orientation-dependent phases.
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Causal Anomaly Detection for Lithium-Ion Battery Degradation
CausalHealth detects lithium-ion battery degradation with 100% sensitivity and up to 402-cycle lead time using causal anomaly scores from voltage, current, temperature, and resistance time series across seven cells.
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Bridging Atomistic Simulation and Experimental Processing Timescales with Goal-Directed Deep Reinforcement Learning
An E(3)-equivariant deep RL framework lets an O2 agent discover kinetically plausible diffusion and dissociation pathways in disordered Si/a-SiO2 without hand-crafted reaction coordinates or collective variables.
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Charge-Transfer Induced Reactivity in sp Carbon Atomic Wires: Towards 0-D sp-sp2 Nanostructures
Electrochemical reduction of hydrogen-capped polyynes yields stable amorphous sp-sp2 carbon nanoparticles with tunable diameters, >60% retained sp fraction, and ambient stability exceeding six months.
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Dynamic Mechanical Response of Spinodal Architectures Across Length and Time Scales
Macroscale spinodal structures exhibit inertia-driven tenfold strength increase at high strain rates unlike microscale counterparts governed by constituent material sensitivity, with regime maps showing length-scale dependence analogous to fluids.
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Microscopic contributions to the deviation from Amontons friction law
MD simulations with ML force fields reveal non-monotonic friction-load curves in MX2/metal heterostructures arising from coexistence of longitudinal, lateral-slip, and zig-zag sliding modes.
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Phonon-driven Floquet-Bloch states probed by quantum beat spectroscopy
Coherent phonons drive longer-lived Floquet-Bloch states observed through quantum beat signals in photoemission on graphene-covered Ir(111).
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Oblate Spheroid Excitation Theory: A Unified, Lattice-Free Foundation for Plastic Deformation from Which Dislocations Emerge as Collective Excitations
OSET treats shear-eigenstrained oblate spheroids as elementary carriers of plastic flow whose co-planar chains reproduce Peierls-Nabarro dislocations in the large-N limit, yielding parameter-free expressions for shear strength and related quantities.
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Iterative Thermodynamic Augmentation of Spatially Resolved Analytic Microscopy for Fast-Diffusing Solutes
An iterative optimization of interstitial chemical potential under partial equilibrium assumption produces thermodynamically consistent interstitial concentration maps from substitutional microscopy data and bulk measurements.
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Prototype-Guided Latent Alignment for Data-Efficient Fine-Tuning of Molecular Foundation Models
The paper introduces prototype-based latent alignment to enable data-efficient fine-tuning of ML interatomic potentials, achieving up to 18% lower energy MAE than standard fine-tuning on rMD17 and SPICE benchmarks in low-data settings.
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Finite Temperature Stacking Fault Stability in Random and Locally Ordered CoCrNi beyond the Harmonic Approximation
Anharmonic calculations show random CoCrNi ISFE decreases and stays negative with temperature while LCO ISFE stays positive from 0-1000 K, with MD confirming unbounded vs finite dislocation dissociation.
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Geometry-Dependent Crack Interaction and Toughening in Graphene
Simulations find that increasing crack width in graphene amplifies toughness gains from larger inter-crack spacing, yielding over twofold higher normalized toughness via delayed rupture rather than coalescence.
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Learning inelastic constitutive models from stress-strain data under hard thermodynamic constraints
A thermodynamics-constrained ML framework learns robust, consistent constitutive models for inelastic materials from macroscopic stress-strain data and generalizes to unseen paths.
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Quantum Limits of Electronic Transport in Nanostructured Macroscopic Conductors
Junction-level quantum interference governs magnetotransport in disordered low-dimensional networks, with positive MR tied to overlap length and negative MR to lattice-mismatched heterojunctions.
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Data-Driven Thermal and Mechanical Modeling of Defective Covalent Organic Frameworks
QCOF ML potentials tuned on COF data outperform general MACE models for defective systems and reveal higher thermal defect sensitivity in CTF-1 versus COF-LZU1 with nearly invariant low-strain mechanics.
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Predicting co-segregation in multicomponent alloys with solute-solute interactions
An extended dual-solute framework predicts co-segregation bounds in multicomponent alloys by machine-learning pairwise segregation energies that include solute-solute interactions and is validated on magnesium systems.
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Damage dose dependence of deuterium retention in high-temperature self-ion irradiated tungsten
Deuterium retention in 1350 K self-ion irradiated tungsten rises with damage dose to 1.7 at.% at 2.3 dpa without saturation, driven by nm-sized voids that trap D2 gas inside and D atoms on their surfaces.
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Optimal Experimental Design for Reliable Learning of History-Dependent Constitutive Laws
A Bayesian optimal experimental design framework with Gaussian approximation of expected information gain and surrogate Fisher information enables optimized uniaxial tests that significantly improve identifiability of history-dependent constitutive parameters over random designs.
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Room-temperature magnon-phonon transduction in high-damping Co/Pt structures
Co/Pt heterostructures show room-temperature magnon-phonon transduction through resonant standing shear waves, marked by extended FMR linewidths and reduced amplitudes.
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Machine learning metallic glass critical cooling rates through elemental and molecular simulation based featurization
ML model using ideal entropy plus simulation features (energy above hull, heat capacity change, icosahedral fraction) predicts metallic glass critical cooling rates with R²=0.78 in leave-one-chemical-system-out cross-validation on 34 alloys.
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Delineating the interplay effects of microstructure topology and residual stresses in ultrafast laser irradiated thin films
Hybrid TTM-MD simulations of gold thin films show microstructure configuration and topology dominate over grain size and orientation in controlling laser-induced melting and expansion, with tensile stresses increasing and compressive stresses decreasing deformation.
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Transferable 3D Convolutional Neural Networks for Elastic Constants Prediction in Nanoporous Metals
3D CNNs predict elastic moduli of nanoporous metals with R²=0.955, outperforming descriptor-based models, and transfer learning works on smaller denser datasets for large-scale Pareto optimization.
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Spatial statistics for screening molecular structures
Spatial statistics on voxelized structures using FFT correlations and PCA yield low-dimensional convex features that support accurate predictions with as few as 10 training samples.
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Gauge-Field-Mediated Symmetry Breaking of Matters Under Electromagnetic Fields and Its Impact on Spin Dynamics
Real-time TDDFT simulations demonstrate that the gauge-field term in the SOC Hamiltonian governs symmetry breaking and produces dynamical spin states in systems possessing mirror, glide, or screw-rotational symmetry under external fields.
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Influence of Heterogeneity on the Response of Architected Metamaterials
Stochastic material heterogeneity modeled with Gaussian random fields in a nonlocal framework fundamentally changes phase nucleation, localization, and macroscopic mechanical response in architected metamaterials.
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On stress-assisted boundary migration during recrystallization
Recrystallization boundary migration in high-purity Al is modulated by the anisotropy of local internal stress states, with no observed shear-coupled motion.
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A ReaxFF-based thermomechanical analysis of N-carbophenes: phase-change, thermal expansion, and high temperature synthesis pathway
ReaxFF simulations find N-carbophenes stable above 1000 K, exhibit negative area thermal expansion that functionalization can flip, and allow a heat-driven transition from graphenylene to gamma-graphyne.
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Higher-order topological corner states and edge states in grid-like frames
Analytical expressions and existence criteria for higher-order topological corner and edge states in two-dimensional kagome and square grid-like beam frames are presented.
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From Defects to Devices: Design Guidelines for High-Performance Diamond-Based Solar Cells and Single-Dopant Diodes
First-principles modeling shows BVB defects create intermediate bands for solar cells and PV defects enable high room-temperature conductivity via impurity bands in diamond diodes without harming mobility or thermal conductivity.
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Oxygen-Mediated Phase Evolution in Sputtered Cu-W-O: Insights into Surface Chemistry Variability
Varying oxygen partial pressure during sputtering of Cu-W-O films produces either pure CuWO4 or CuWO4 plus Cu3WO6 mixtures, with XPS revealing Cu surface segregation and initial-state electronic structure shifts rather than final-state screening changes.
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Design rules for industrial-scale sintering of UB4-UBC composites with high uranium density
UB4-UBC composites achieve higher uranium density than monolithic UB4 and exhibit oxidation resistance comparable to other candidate accident-tolerant fuels.
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Comparing fine-tuning strategies of MACE machine learning force field for modeling Li-ion diffusion in LiF for batteries
MACE-MPA-0 predicts Li diffusion Ea of 0.22 eV in LiF, fine-tuned version with 300 points gives 0.20 eV, close to DeePMD reference of 0.24 eV, using far less training data.
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High-temperature instability of artificial cuprorivaite: a study using thermal analysis, X-ray powder diffractometry and polarized light microscopy
Cuprorivaite decomposes irreversibly above ~1020°C into monoclinic tridymite and CuO-Cu2O-CaO-SiO2 glass with no re-synthesis on cooling.
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Machine Learning for Electrode Materials: Property Prediction via Composition
CrabNet outperforms MODNet and random forest models when predicting battery electrode properties from composition, with cross-validation and clustering confirming coherent groupings.
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Atomic-Scale Characterization of Oxide Interfaces and Superlattices Using Scanning Transmission Electron Microscopy
A review chapter summarizing STEM techniques and applications to oxide interfaces, including interfacial conductivity, charge screening, and emerging AI-guided methods.
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Plastic Deformation of B19' Martensite: Where it Matters in NiTi Technology
Kwinking deformation of B19' martensite rationalizes nine listed unusual plastic phenomena observed in NiTi over 50 years and informs constitutive modeling for the technology.