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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.

168,742 papers · 148 categories

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58116173231 · Jun 202019922001200920172026
48 results for compound selection

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.

Semi-supervised learning improves QSAR model predictions for novel compounds.

problem Improving model predictions for compounds not in the training set and adjusting for selection bias.
method Semi-supervised learning framework to estimate model quality and adjust for selection bias.
result Predictions for novel compounds are improved by accounting for compound similarity and selection bias.

The vector of periodic, compound returns of a typical investment portfolio is almost never a convex combination of the return vectors of the securities in the portfolio. As a result the ex post version of Harry Markowitz's "standard mean-variance portfolio selection model" does not apply to compound return data. We pro…

2011-04-28abs ↗pdf ↗

Designing a molecule with desired properties is one of the biggest challenges in drug development, as it requires optimization of chemical compound structures with respect to many complex properties. To augment the compound design process we introduce Mol-CycleGAN - a CycleGAN-based model that generates optimized compo…

2019-02-06abs ↗pdf ↗

Model-based reinforcement learning is an appealing framework for creating agents that learn, plan, and act in sequential environments. Model-based algorithms typically involve learning a transition model that takes a state and an action and outputs the next state---a one-step model. This model can be composed with itse…

2019-05-30abs ↗pdf ↗

The paper tackles bandit problems with biased offline data by using causal methods.

problem Improving bandit algorithms with biased offline data that includes confounding and selection biases.
method Formalizes the problem from a causal perspective, categorizes biases, and derives robust bounds for each arm.
result Causal bounds can guide the bandit agent to learn a nearly-optimal decision policy and consistently reduce asymptotic regret.

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.

We study tick-by-tick financial returns belonging to the FTSE MIB index of the Italian Stock Exchange (Borsa Italiana). We can confirm previously detected non-stationarities. However, scaling properties reported in the previous literature for other high-frequency financial data are only approximately valid. As a conseq…

2012-12-03abs ↗pdf ↗

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.

ChemGrapher uses deep learning to automatically convert chemical compound images into accurate graphs.

problem Automatically converting chemical compound images into accurate graphs with correct bond multiplicity and stereochemical information.
method Developed a deep neural network model for optical compound recognition, including segmentation and classification models.
result Significant error reductions in bond multiplicity and stereochemical information compared to existing tools.

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.

Online method selects candidates from data streams, ensuring irreversible decisions.

problem Conformal selection's incompatibility with irreversible decisions in online scenarios.
method Online Conformal Selection with Accept-to-Reject Changes (OCS-ARC) incorporating online Benjamini-Hochberg procedure.
result OCS-ARC controls FDR at or below nominal level, improving selection power.

CoE modularizes LLMs for scalable, cost-effective AI systems.

problem Challenges in scalability, cost, and customization of monolithic LLMs.
method Composition of Experts (CoE) leverages multiple expert LLMs with a router for dynamic selection.
result CoE achieves superior performance with reduced computational overhead and cost.

Study predicts shear stress in compound channels using data mining and machine learning.

problem Predicting shear stress distribution in symmetric compound channels.
method Conducted experiments to measure shear stress. Used data mining and machine learning models (RF, M5P, RC, KStar, AR) to predict.
result Random Forest (RF) model showed highest accuracy with R2=0.9.

Bayesian QFSTS model tackles feature selection in quantile time series analysis.

problem Quantile feature selection in correlated multivariate time series data.
method Bayesian dimension reduction methodology using QFSTS model with multivariate asymmetric Laplace distribution, spike-and-slab prior, Metropolis-Hastings algorithm, and Bayesian model averaging.
result QFSTS model outperforms in feature selection, parameter estimation, and forecasting.

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.

MarketSenseAI system outperforms passive benchmarks by 25.2% on S&P 500, adding value over random selection.

problem Identifying alpha in stock recommendations from multi-agent LLM systems.
method Deployed multi-agent LLM equity system generating live signals, combining four specialist agents into a synthesis agent.
result Strong-buy equal-weight portfolio on S&P 500 earns +2.18%/month, significantly outperforming passive benchmarks.

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.