-
Article
An Evidence of the Second Order BKT Phase Transition in Three Dimensional Underdoped RE-123 Superconductors
An exponent ( \(\eta\) η ) revealing the Berezinskii-Kosterlitz-Thouless (BKT...
-
Chapter
Landslide Susceptibility Analysis by Frequency Ratio Model and Analytical Hierarchical Process in Mirik and Kurseong, Darjeeling Himalaya, India
Landslide is a common phenomenon in the hilly region. The Himalayan region the one of the best examples of this type of landslide-prone region. Kurseong subdivision is the study area of this chapter. Landslide...
-
Article
Anniversary AI reflections
For our fifth anniversary, we reconnected with authors of recent Comments and Perspectives in Nature Machine Intelligence and asked them how the topic they wrote about developed. We also wanted to know what other...
-
Article
Physics-enhanced deep surrogates for partial differential equations
Many physics and engineering applications demand partial differential equations (PDE) property evaluations that are traditionally computed with resource-intensive high-fidelity numerical solvers. Data-driven s...
-
Article
Open AccessAn end-to-end deep learning framework for translating mass spectra to de-novo molecules
Elucidating the structure of a chemical compound is a fundamental task in chemistry with applications in multiple domains including drug discovery, precision medicine, and biomarker discovery. The common pract...
-
Article
The incentive gap in data work in the era of large models
There are repeated calls in the AI community to prioritize data work — collecting, curating, analysing and otherwise considering the quality of data. But this is not practised as much as advocates would like, ...
-
Article
Open AccessAccelerating material design with the generative toolkit for scientific discovery
With the growing availability of data within various scientific domains, generative models hold enormous potential to accelerate scientific discovery. They harness powerful representations learned from dataset...
-
Article
Open AccessAccurate clinical toxicity prediction using multi-task deep neural nets and contrastive molecular explanations
Explainable machine learning for molecular toxicity prediction is a promising approach for efficient drug development and chemical safety. A predictive ML model of toxicity can reduce experimental cost and tim...
-
Article
Semiochemicals from Urine and Hair of Clouded Leopard (Neofelis nebulosa Griffith, 1821)
Cat members usually convey messages related to their territorial marking and reproductive behaviour to conspecifics by using auditory, visual and tactile cues within a short distance. However, for long distanc...
-
Chapter and Conference Paper
Cloud-Based Real-Time Molecular Screening Platform with MolFormer
With the prospect of automating a number of chemical tasks with high fidelity, chemical language processing models are emerging at a rapid speed. Here, we present a cloud-based real-time platform that allows u...
-
Article
Dynamic and Static Exponents in FFH Scaling Using Superfluid Phase Stiffness in Co-doped Superconducting Systems
Current-voltage (IV) characteristics of superconducting Eu \(_{1-x-y}\) ...
-
Article
Large-scale chemical language representations capture molecular structure and properties
Models based on machine learning can enable accurate and fast molecular property predictions, which is of interest in drug discovery and material design. Various supervised machine learning models have demonst...
-
Article
Modified Galerkin method for Volterra-Fredholm-Hammerstein integral equations
In this paper, we analyze piecewise polynomial based modified Galerkin method for a class of nonlinear Volterra-Fredholm mixed type Hammerstein integral equations with smooth kernels. Existence and convergence...
-
Article
Optimizing molecules using efficient queries from property evaluations
Machine learning-based methods have shown potential for optimizing existing molecules with more desirable properties, a critical step towards accelerating new chemical discovery. Here we propose QMO, a generic...
-
Article
Author Correction: Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations
-
Article
Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations
The de novo design of antimicrobial therapeutics involves the exploration of a vast chemical repertoire to find compounds with broad-spectrum potency and low toxicity. Here, we report an efficient computationa...
-
Chapter
Multi-criteria Analysis for Groundwater Quality Assessment: A Study in Paschim Barddhaman District of West Bengal, India
Groundwater, one of the most valued natural hydrological resources, plays an important character in various sectors, i.e. agriculture, industry, and household. With increasing population pressure, its quality ...
-
Article
Open AccessActive learning of deep surrogates for PDEs: application to metasurface design
Surrogate models for partial differential equations are widely used in the design of metamaterials to rapidly evaluate the behavior of composable components. However, the training cost of accurate surrogates b...
-
Chapter and Conference Paper
Disease Feature Extraction and Disease Detection from Paddy Crops Using Image Processing and Deep Learning Technique
Agriculture technology is pursuing the field of artificial intelligence to enhance its productions. The major concern is accurate disease identification and making its possible solution with even 99.9% accurac...
-
Chapter and Conference Paper
Superconvergence of Iterated Galerkin Method for a Class of Nonlinear Fredholm Integral Equations
In this paper, we consider the Galerkin and iterated Galerkin methods for solving Fredholm-Hammestein integral equations with a Green’s kernel, whose first derivative has singularity. We obtain error bounds an...
