Found 15281 results, showing the newest relevant preprints. Sort by relevancy only.Update me on new preprints

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

Good active spaces are correctly predicted with a considerably better success rate than random guess (larger than 80% precision for most systems studied). Expand abstract.
18279 days ago
7/10 relevant
chemRxiv

Accurate Multi-Objective Design in a Space of Millions of Transition Metal Complexes with Neural-Network-Driven Efficient Global Optimization

Analysis of lookahead errors confirms rapid ANN model improvement during the EGO process, achieving suitable accuracy for predictive design in the space of transition metal complexes. Expand abstract.
18279 days ago
8/10 relevant
chemRxiv

Combining Automated Microfluidic Experimentation with Machine Learning for Efficient Polymerization Design

Understanding polymerization reactions has challenges relating to the complexity of the systems, hazards associated with the reagents, environmental footprint of the operations, and the highly non-linear topologies of reaction spaces. Expand abstract.
18279 days ago
4/10 relevant
chemRxiv

Solving connectivity problems parameterized by treedepth in single-exponential time and polynomial space

A breakthrough result of Cygan et al. (FOCS 2011) showed that connectivity problems parameterized by treewidth can be solved much faster than the previously best known time $\mathcal{O}^*(2^{\mathcal{O}(tw \log(tw))})$. Expand abstract.
1 day ago
9/10 relevant
arXiv

Simplification of Indoor Space Footprints

This article addresses one of the 2D simplification methods, especially working well on human-made structures such as 2D footprints of buildings and indoor spaces. Expand abstract.
1 day ago
6/10 relevant
arXiv

Memory is one representation not many: Evidence against wormholes in memory

Alternatively, if search is constrained to one static landscape, then moving between distant locations necessarily means traveling through the intermediate space. Expand abstract.
1 day ago
6/10 relevant
PsyArXiv

Functions of bounded mean oscillation and quasiconformal mappings on spaces of homogeneous type

We establish a connection between the function space BMO and the theory of quasiconformal mappings on spaces of homogeneous type $\widetilde{X} :=(X,\rho,\mu)$. Expand abstract.
3 days ago
9/10 relevant
arXiv

SimEx: Express Prediction of Inter-dataset Similarity by a Fleet of Autoencoders

We also demonstrate that the inter-dataset similarity estimated by our method is well-correlated with common practices and outperforms the baselines approaches of comparing at sample- or embedding-spaces, without newly training anything at the comparison time. Expand abstract.
3 days ago
4/10 relevant
arXiv

Spherical functions and local densities on the space of $p$-adic quaternion hermitian matrices

We introduce the space $X$ of quaternion hermitian forms of size $n$ on a ${\mathfrak p}$-adic field with odd residual characteristic, and define typical spherical functions $\omega(x;s)$ on $X$ and give their induction formula on sizes by using local densities of quaternion hermitian forms. Expand abstract.
3 days ago
7/10 relevant
arXiv

On the linear structure of cones

We also show that these latter are dense in cones, thus allowing to lift the main properties of the tensor product of probabilistic coherence spaces to general cones. Expand abstract.
4 days ago
5/10 relevant
arXiv