Arun Sharma
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View article: Generative Evolutionary Meta-Solver (GEMS): Scalable Surrogate-Free Multi-Agent Learning
Generative Evolutionary Meta-Solver (GEMS): Scalable Surrogate-Free Multi-Agent Learning Open
Scalable multi-agent reinforcement learning (MARL) remains a central challenge for AI. Existing population-based methods, like Policy-Space Response Oracles, PSRO, require storing explicit policy populations and constructing full payoff ma…
View article: Computational dataset of cetyl trimethyl ammonium-anion complex structures and simulated infrared spectra
Computational dataset of cetyl trimethyl ammonium-anion complex structures and simulated infrared spectra Open
View article: Machine learning for asphaltene polarizability: Evaluating molecular descriptors
Machine learning for asphaltene polarizability: Evaluating molecular descriptors Open
Asphaltenes are complex polycyclic organic molecules in crude oil that readily aggregate and precipitate under varying thermodynamic conditions. Their structural heterogeneity influences key physicochemical properties, including solubility…
View article: Spatially-Delineated Domain-Adapted AI Classification: An Application for Oncology Data
Spatially-Delineated Domain-Adapted AI Classification: An Application for Oncology Data Open
Given multi-type point maps from different place-types (e.g., tumor regions), our objective is to develop a classifier trained on the source place-type to accurately distinguish between two classes of the target place-type based on their p…
View article: Towards Statistically Significant Taxonomy Aware Co-location Pattern Detection
Towards Statistically Significant Taxonomy Aware Co-location Pattern Detection Open
Given a collection of Boolean spatial feature types, their instances, a neighborhood relation (e.g., proximity), and a hierarchical taxonomy of the feature types, the goal is to find the subsets of feature types or their parents whose spat…
View article: Machine learning to identify structural motifs in asphaltenes
Machine learning to identify structural motifs in asphaltenes Open
Asphaltenes are organic compounds that aggregate in crude oil with two dominant molecular architectures: archipelago and continental. Continental architectures possess a single uniform island structure composed of aromatic rings in contras…
View article: Dataset of asphaltene structures
Dataset of asphaltene structures Open
View article: Dataset of asphaltene structures
Dataset of asphaltene structures Open
View article: Ionic partitioning of KCl in AOT reverse micelles from molecular dynamics simulations
Ionic partitioning of KCl in AOT reverse micelles from molecular dynamics simulations Open
Reverse micelles are an important class of nanoreactors providing an array of applications. The structure and dynamics of aqueous reverse micelles have been intensely investigated, yet there are many subtleties involved in characterizing t…
View article: Computational analysis of water dynamics in AOT reverse micelles
Computational analysis of water dynamics in AOT reverse micelles Open
Aerosols can be modeled for detailed investigations using reverse micelles in the laboratory as well as in computational simulations. A long-standing question in the description of confined water under these conditions is that of a two-sta…
View article: Synthesis, structural investigation and molecular docking studies of pyridinyl tetrahydroisoquinoline, morpholine and piperidine containing schiff's bases
Synthesis, structural investigation and molecular docking studies of pyridinyl tetrahydroisoquinoline, morpholine and piperidine containing schiff's bases Open
The present work was conducted to synthesize some Schiff's bases derived from pyridinyl tetrahydroisoquinoline, morpholine and piperidine moieties by the condensation reaction of aminobenzaldehyde with various aromatic amines in good to ex…
View article: In situ generation of a Zwitterionic fluorescent probe for detection of human serum albumin protein
In situ generation of a Zwitterionic fluorescent probe for detection of human serum albumin protein Open
View article: Evaluating the merit of a syringol derived fluorophore as a charge transfer probe for detection of serum albumins
Evaluating the merit of a syringol derived fluorophore as a charge transfer probe for detection of serum albumins Open
View article: Laboratory Glassware Identification: Supervised Machine Learning Example for Science Students
Laboratory Glassware Identification: Supervised Machine Learning Example for Science Students Open
View article: Glassware images and code samples for training and identification of glassware by neural networks
Glassware images and code samples for training and identification of glassware by neural networks Open
These images were used to perform an image identification exercise with first-year students in the author's Introduction to Scientific Computing course. The zip file also includes sample Mathematica notebooks that were used to perform the …
View article: Glassware images and code samples for training and identification of glassware by neural networks
Glassware images and code samples for training and identification of glassware by neural networks Open
These images were used to perform an image identification exercise with first-year students in the author's Introduction to Scientific Computing course. The zip file also includes sample Mathematica notebooks that were used to perform the …
View article: Engaging students with computing and climate change through a course in Scientific Computing
Engaging students with computing and climate change through a course in Scientific Computing Open
Course-based undergraduate research (CURE) is an educational paradigm to engage students in authentic research projects as part of their classroom experience. We present a course-based undergraduate research experience (CURE) for first-yea…
View article: Volumetric and Viscometric Studies of Copper Surfactant Derived from Karanj (Pongamia pinnata) Oil in Methanol-benzene Mixture at 298.15 K
Volumetric and Viscometric Studies of Copper Surfactant Derived from Karanj (Pongamia pinnata) Oil in Methanol-benzene Mixture at 298.15 K Open
The density, molar volume, apparent molar volume, viscosity and other parameters of Cu(II) surfactant derived from karanj oil in non-aqueous solvents of varying compositions have been determined at constant temperature 298.15 K.The results…
View article: A computational examination of the binding interactions of amyloidβ and human cystatin C
A computational examination of the binding interactions of amyloidβ and human cystatin C Open
The physiological role of human cystatin C (HCC) in the brain of individuals suffering from Alzheimer’s disease (AD) is currently an uncertainty in the scientific community. The protein complex interface between HCC and amyloid[Formula: se…
View article: A model Scientific Computing course for freshman students at liberal arts Colleges
A model Scientific Computing course for freshman students at liberal arts Colleges Open
This paper describes a course called, "Introduction to Scientific Computing" that has been developed for freshman students at Wagner college, a private national liberal arts institution.The course trains students in computational thinking …