arXiv:2606. 02048v1 Announce Type: new Abstract: We propose a novel computational toolbox that integrates Topological Data Analysis (TDA), Differential Box Counting (DBC), Multifractal Partition (MFP), and Local Binary Patterns (LBP), applied to time-lapse super-resolution STED microscopy images of sodium caseinate gelation induced by glucono-delta-lactone (GDL) at 30 {\deg}C and 40 {\deg}C and two GDL concentrations (1.
arXiv:2606. 14737v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulations generate trajectories in a high-dimensional configuration space whose analysis critically depends on molecular descriptors, typically handcrafted observables or learned kinetic embeddings.
arXiv:2505. 04346v2 Announce Type: replace Abstract: Clustering aims at partitioning data points into groups of similar objects without knowing about the class labels.
arXiv:2602. 06989v2 Announce Type: replace-cross Abstract: Carbonate reservoirs offer significant capacity for subsurface carbon storage, oil production, and underground hydrogen storage.
arXiv:2607. 17412v1 Announce Type: new Abstract: A hallmark of neurodegenerative diseases such as Alzheimer's and Parkinson's is the aberrant aggregation of proteins into amyloid fibrils, and small molecules that selectively bind to these fibrils hold promise as diagnostics, imaging probes, and therapeutics.
arXiv:2505. 12650v2 Announce Type: replace-cross Abstract: Reconstructing atomistic crystal structures from a single noisy STEM projection is an ill-posed inverse problem: multiple lattices can explain similar contrast, and purely feed-forward models cannot verify physical validity.
arXiv:2608. 09099v1 Announce Type: new Abstract: Quantitative estimation of protein-ligand binding affinity from three-dimensional complex structures is a fundamental task in structure-based computational chemistry and molecular modeling.
arXiv:2605. 26833v2 Announce Type: replace-cross Abstract: Polymers underpin applications across energy, healthcare, and materials science, yet their vast chemical space makes systematic discovery challenging.
arXiv:2607. 04680v1 Announce Type: new Abstract: Grain growth is governed by the reduction in grain boundary energy and exhibits well-established statistical scaling laws.
arXiv:2607. 16087v1 Announce Type: new Abstract: AlphaFold2's 93 million parameters, shaped by the evolutionary record of protein structure encoded in the Protein Data Bank and in sequence alignments, are conventionally treated only as machinery for converting sequence to structure.
arXiv:2607. 20657v1 Announce Type: cross Abstract: Unique and rapid classification of knots and links is an open mathematical problem that is relevant to a range of (bio)physical systems, including polymer melts, DNA, and proteins.
Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and periodic organization. Mechanistically explaining these relationships requires interpreting structural evidence through scientific principles and physical constraints, from stereochemistry and bonding to symmetry, energetics and periodic order.
arXiv:2606. 28268v1 Announce Type: cross Abstract: Test-time adaptation (TTA) has emerged as a promising paradigm for mitigating distribution shifts in deep models.