Related papers: SELLA -- A Program for Determining Bravais Lattice…
To find the best lattice model representation of a given full atom protein structure is a hard computational problem. Several greedy methods have been suggested where results are usually biased and leave room for improvement. In this paper…
The Delone (Selling) scalars, which are used in unit cell reduction and in lattice type determination, are studied in $\mathbb{C}^3$, the space of three complex variables. The three complex coordinate planes are composed of the six Delone…
In ab-initio indexing, for a given diffraction/scattering pattern, the unit-cell parameters and the Miller indices assigned to reflections in the pattern are determined simultaneously. "Ab-initio" means a process performed without any good…
Motivated by lattice mixture identification and grain boundary detection, we present a framework for lattice pattern representation and comparison, and propose an efficient algorithm for lattice separation. We define new scale and shape…
The structural solution problem can be a daunting and time consuming task. Especially in the presence of impurity phases, current methods such as indexing become more unstable. In this work, we apply the novel approach of semi-supervised…
SEAL is a static analyser for the verification of programs that manipulate unbounded linked data structures. It is based on separation logic to represent abstract memory states and, unlike other separation-logic-based approaches, it employs…
Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents…
SaLinA is a simple library that makes implementing complex sequential learning models easy, including reinforcement learning algorithms. It is built as an extension of PyTorch: algorithms coded with \SALINA{} can be understood in few…
In this paper we present DELTA, a deep learning based language technology platform. DELTA is an end-to-end platform designed to solve industry level natural language and speech processing problems. It integrates most popular neural network…
Niggli reduction can be viewed as a series of operations in a six-dimensional space derived from the metric tensor. An implicit embedding of the space of Niggli-reduced cells in a higher dimensional space to facilitate calculation of…
Numerical programs form the foundation of modern science and engineering, providing essential solutions to complex mathematical problems. Therefore, errors in numerical results would lead to harmful consequences, especially in…
Bravais lattices are the most fundamental building blocks of crystallography. They are classified into groups according to their translational, rotational, and inversion symmetries. In computational analysis of Bravais lattices, fulfilment…
The duality between a class of the Davey-Stewartson type coupled systems and a class of two-dimensional Toda type lattices is discussed. A new coupled system related to the recently found lattice is presented. A method for eliminating…
Abella is an interactive system for reasoning about aspects of object languages that have been formally presented through recursive rules based on syntactic structure. Abella utilizes a two-level logic approach to specification and…
This paper presents an efficient program for checking Mendelian consistency in a pedigree. Since pedigrees may contain incomplete and/or erroneous information, geneticists need to pre-process them before performing linkage analysis.…
We give a generalisation of the Lenstra-Lenstra-Lov\'asz (LLL) lattice-reduction algorithm that is valid for an arbitrary (split, semisimple) reductive group $G$. This can be regarded as `lattice reduction with symmetries'. We make this…
Separation Logic (SL) with inductive definitions is a natural formalism for specifying complex recursive data structures, used in compositional verification of programs manipulating such structures. The key ingredient of any automated…
Click-Through Rate (CTR) prediction holds a paramount position in recommender systems. The prevailing ID-based paradigm underperforms in cold-start scenarios due to the skewed distribution of feature frequency. Additionally, the utilization…
Slow feature analysis (SFA) is an unsupervised learning algorithm that extracts slowly varying features from a time series. Graph-based SFA (GSFA) is a supervised extension that can solve regression problems if followed by a post-processing…
We propose a statistical adaptive procedure called SALSA for automatically scheduling the learning rate (step size) in stochastic gradient methods. SALSA first uses a smoothed stochastic line-search procedure to gradually increase the…