{"total":7,"items":[{"citing_arxiv_id":"2606.21114","ref_index":35,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"An Efficient Laguerre Minimum Action Method for Computing Quasi-Potentials","primary_cat":"math.NA","submitted_at":"2026-06-19T05:33:20+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"Develops a Laguerre spectral minimum action method with time rescaling and improved quadrature for efficient quasi-potential computation in infinite-horizon problems.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.13788","ref_index":137,"ref_count":2,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Force-Aware Neural Tangent Kernels for Scalable and Robust Active Learning of MLIPs","primary_cat":"cs.LG","submitted_at":"2026-05-13T17:08:37+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":6.0,"formal_verification":"none","one_line_summary":"Force-aware Neural Tangent Kernels combined with chunked acquisition provide scalable and distribution-robust active learning for MLIPs, outperforming baselines on OC20 and remaining competitive on other benchmarks.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2605.03964","ref_index":131,"ref_count":2,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Pretrained Model Representations as Acquisition Signals for Active Learning of MLIPs","primary_cat":"cs.LG","submitted_at":"2026-05-05T16:48:23+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":7.0,"formal_verification":"none","one_line_summary":"Kernels from pretrained MLIP latent spaces outperform standard acquisition methods in active learning for reactive chemistry, reducing required labels by 38% for energy error and 28% for force error.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2604.26372","ref_index":20,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Polaron Conductivity in $\\alpha$-Fe2O3 Quenched by Adsorbed NO2","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-04-29T07:32:08+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":4.0,"formal_verification":"none","one_line_summary":"NO2 adsorption on alpha-Fe2O3 transfers 0.72 electrons and quenches surface small polarons, suppressing polaronic conductivity and explaining sensor resistance increase.","context_count":1,"top_context_role":"method","top_context_polarity":"use_method","context_text":"were equivalent and symmetric with respect to the center of inversion located at the center of the slab. The symmetry prevented unphysical dipolar interaction between periodic images of the slab. A polaron was formed by adding an excess electron in a 2×2×1 super-cell, Fe48O72, with 2×2×2 k-point sampling. The excess negative charge was compensated by a uniform positive background. The nudged elastic band (NEB) method [19,20] with the climbing image extension [21] was used to find the activation energy for polaron migration. 3. Results The calculated bulk atomic structure and the orientation of the magnetic moments of the Fe atoms is shown in Figure 1a. In order to find the optimal lattice parameter, the lowest energy cell shape was identified. Calculated lattice parameters (Figure 1b) are tabulated in Table I"},{"citing_arxiv_id":"2604.19491","ref_index":157,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Causality in Liquid Water as a Hallmark of Emergent Glassy Dynamics","primary_cat":"physics.chem-ph","submitted_at":"2026-04-21T14:11:43+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":7.0,"formal_verification":"none","one_line_summary":"Causal analysis of water MD simulations shows translational motions drive orientational dynamics in supercooled HDL but remain decoupled at ambient conditions, revealing an emergent arrow of time in fluctuation couplings.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2603.14737","ref_index":1,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Reproducible Orchestration of Best Practices for Reaction Path Optimization with the Nudged Elastic Band","primary_cat":"physics.chem-ph","submitted_at":"2026-03-16T02:22:17+00:00","verdict":"ACCEPT","verdict_confidence":"MODERATE","novelty_score":6.0,"formal_verification":"none","one_line_summary":"An open-source Snakemake workflow fully automates NEB reaction path calculations with ML potentials and recovers the known HCN-HNC energy profile without manual steps.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null},{"citing_arxiv_id":"2603.10992","ref_index":47,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"A Tutorial Review of Bayesian Optimization with Gaussian Processes to Accelerate Stationary Point Searches","primary_cat":"stat.ML","submitted_at":"2026-03-11T17:20:28+00:00","verdict":"UNVERDICTED","verdict_confidence":"LOW","novelty_score":3.0,"formal_verification":"none","one_line_summary":"Bayesian optimization with Gaussian processes unifies minimization, single-point saddle searches, and double-ended path searches on potential energy surfaces through a shared six-step surrogate loop using derivative observations and inverse-distance kernels.","context_count":0,"top_context_role":null,"top_context_polarity":null,"context_text":null}],"limit":50,"offset":0}