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arXiv research

A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.

168,657 papers · 148 categories

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371013 · Jun 202019922001200920172026
48 results for inorganic compounds

CRYSPNet predicts crystal structures from chemical compositions.

problem Predicting crystal structures of solids is challenging and computationally expensive.
method CRYSPNet uses a neural network to predict crystal properties from chemical composition.
result CRYSPNet outperforms alternative methods and is robustly validated.

CHILI datasets tackle inorganic nanomaterials, advancing graph machine learning.

problem Challenges in modelling inorganic crystalline materials and nanomaterials with graph ML.
method Presented two large-scale datasets of inorganic nanomaterials, defined property and structure prediction tasks.
result Benchmarked performance of graph ML methods on inorganic nanomaterials, highlighting areas for future work.

Language models predict inorganic synthesis conditions and temperatures.

problem Limited data and heuristic approaches constrain inorganic synthesis planning.
method Language models without fine-tuning predict precursor conditions and temperatures.
result Language models achieve high accuracy in predicting synthesis conditions and temperatures.

Superconductivity has been the focus of enormous research effort since its discovery more than a century ago. Yet, some features of this unique phenomenon remain poorly understood; prime among these is the connection between superconductivity and chemical/structural properties of materials. To bridge the gap, several m…

2017-09-08abs ↗pdf ↗

Study estimates Medallion's compounded return before fees at 31.8%.

problem Incorrectly using yearly returns for compounding leads to overestimation of fund performance.
method Used fund sizes and trading profits to estimate compounded return; used manager's wealth as proxy for Simons.
result Annualized compounded return of Medallion before fees is likely under 35%

Characterizes measures preserving compound mixed renewal process properties.

problem Preserving compound mixed renewal process properties under different probability measures.
method Characterization of progressively equivalent probability measures.
result Any compound mixed renewal process can be converted into a compound mixed Poisson process through a change of measures.

This chapter is an attempt to present a mathematical theory of compound fractional Poisson processes. The chapter begins with the characterization of a well-known Lévy process: The compound Poisson process. The semi-Markov extension of the compound Poisson process naturally leads to the compound fractional Poisson proc…

2011-03-03abs ↗pdf ↗

High throughput screening of compounds (chemicals) is an essential part of drug discovery [7], involving thousands to millions of compounds, with the purpose of identifying candidate hits. Most statistical tools, including the industry standard B-score method, work on individual compound plates and do not exploit cross…

2017-09-28abs ↗pdf ↗

In this paper, we introduce a new model for the risk process based on general compound Hawkes process (GCHP) for the arrival of claims. We call it risk model based on general compound Hawkes process (RMGCHP). The Law of Large Numbers (LLN) and the Functional Central Limit Theorem (FCLT) are proved. We also study the ma…

2017-06-27abs ↗pdf ↗

Normalized compound random measures are flexible nonparametric priors for related distributions. We consider building general nonparametric regression models using normalized compound random measure mixture models. Posterior inference is made using a novel pseudo-marginal Metropolis-Hastings sampler for normalized comp…

2016-08-02abs ↗pdf ↗

New Riemannian geometry for Compound Gaussian distributions applied to efficient change detection.

problem Change detection in multivariate image times series.
method Developed a recursive approach based on Riemannian optimization.
result Optimal performance achieved with computational efficiency.

The study improves compound selection in in silico screening by focusing on model's ability to predict desirable outcomes.

problem Improving compound selection in in silico screening to reduce errors and enhance generalization.
method Extending learning theory, the study analyzes the impact of selection policies on generalization and proposes a method to mitigate challenges.
result Generalization can be enhanced by considering a model's ability to predict the fraction of desired outcomes in a batch.

The paper develops generalization bounds for deep compound Gaussian neural networks.

problem Developing theoretical guarantees for the performance of deep neural networks.
method Novel generalization error bounds using a compound Gaussian prior and Dudley's integral.
result Theoretical bounds show generalization error scales O(nln(n))\mathcal{O}(n\sqrt{\ln(n)}) in signal dimension and O((NetworkSize)3/2)\mathcal{O}((Network Size)^{3/2}) in network size.

We propose an analytical approach to the computation of tail probabilities of compound distributions whose individual components have heavy tails. Our approach is based on the contour integration method, and gives rise to a representation of the tail probability of a compound distribution in the form of a rapidly conve…

2017-10-03abs ↗pdf ↗

Study shows convergence rates for BSDEs approximated by compound Poisson processes.

problem Analyzing convergence rates of BSDEs driven by Lévy processes.
method Approximating Lévy processes by compound Poisson processes and studying BSDEs.
result Optimal convergence rates derived for BSDEs in L2\mathbb L^2-norm and Wasserstein distance.

Bayesian learning improves reliability of molecular predictions for hit compound discovery.

problem Improving reliability of machine learning predictions for virtual screening.
method Bayesian learning algorithms applied to graph neural networks.
result Bayesian learning leads to well-calibrated predictions and higher hit compound success.

The study addresses overlooked data-generating processes in time-series asset pricing.

problem The literature on time-series asset pricing overlooks the data-generating processes for factors expressed in return differences.
method The study proposes a new definition of returns and compound returns for factors, and uses OLS with net returns for single-index models.
result OLS with net returns for single-index models leads to inflated alphas, exaggerated t-values, and overestimated Sharpe ratios.

In this paper, we study various new Hawkes processes. Specifically, we construct general compound Hawkes processes and investigate their properties in limit order books. With regards to these general compound Hawkes processes, we prove a Law of Large Numbers (LLN) and a Functional Central Limit Theorems (FCLT) for seve…

2018-11-06abs ↗pdf ↗

DeepSIBA predicts biological effects of chemical structures using graph neural networks.

problem Predicting biological effects of chemical structures for drug discovery.
method Siamese Graph Convolutional Neural Networks for structure-biological effect mapping.
result Highly accurate predictions of biological effects for structurally dissimilar compounds.

A new method reduces compounding errors in model-based reinforcement learning.

problem Compounding errors in long horizon predictions from model-based reinforcement learning.
method Maximum Entropy Model Rollouts (MEMR) with non-uniform sampling and prioritized experience replay.
result Significantly reduces computation requirements compared to other model-based methods.

Mack's estimator improves chain ladder prediction for large exposure insurance models.

problem Uncertainty quantification in compound Poisson loss models.
method Large exposure asymptotics applied to Mack's estimator.
result Chain ladder prediction uncertainty can be quantified without model assumptions.

ETFs with 2x and 3x leverage underperformed the S&P 500 index due to compounding and volatility.

problem ETFs with higher leverage failed to match the performance of the underlying index.
method Analyzed the performance of leveraged ETFs compared to the S&P 500 index, accounting for compounding and volatility.
result Two-thirds of the underperformance was due to compounding and volatility, with the rest due to covariance.

Study symplectic cohomology of certain singularities using homological mirror symmetry.

problem Compute symplectic cohomology for specific singularities.
method Use homological mirror symmetry to compute symplectic cohomology.
result Suggests a new conjecture about the relationship between small resolutions and symplectic cohomology.

In this paper we introduce two new Hawkes processes, namely, compound and regime-switching compound Hawkes processes, to model the price processes in limit order books. We prove Law of Large Numbers and Functional Central Limit Theorems (FCLT) for both processes. The two FCLTs are applied to limit order books where we …

2017-12-07abs ↗pdf ↗

In this paper, we study various new Hawkes processes, namely, so-called general compound and regime-switching general compound Hawkes processes to model the price processes in the limit order books. We prove Law of Large Numbers (LLN) and Functional Central Limit Theorems (FCLT) for these processes. The latter two FCLT…

2017-06-22abs ↗pdf ↗

Paper uses VAEs to detect radar targets in complex noise.

problem Detecting radar targets in compound clutter and thermal noise.
method Proposes a VAE architecture to distinguish radar targets from various noise types.
result The VAE outperforms classical detectors in challenging noise conditions.

We analyze the classical model of compound interest with a constant per-period payment and interest rate. We examine the outstanding balance function as well as the periodic payment function and show that the outstanding balance function is not generally concave in the interest rate, but instead may be initially convex…

2018-09-27abs ↗pdf ↗