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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.

168,695 papers · 148 categories

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3887771,1651,553 · Jun 202019922001200920172026
48 results for Model Properties

Paper proposes a method to design molecules with specific properties.

problem Designing molecules with desired chemical and biological properties.
method Energy-based model in latent space, SGDS algorithm for gradual distribution shifting.
result Method achieves strong performances on various molecule design tasks.

Deep models generate geometric objects with global properties.

problem Comparing neural models' global properties from generated samples.
method Training on datasets of reflexive polytopes, comparing different representations.
result Models learn non-trivial global properties of geometric objects.

A VAE model predicts material properties and microstructures.

problem Building forward and inverse structure-property linkages in materials science.
method Combines VAE with regression, using a two-level prior and multi-modal Gaussian mixture.
result The model achieves accurate forward and inverse predictions of material properties and microstructures.

This paper explores the information-theoretic limitations of graph property testing in zero-field Ising models. Instead of learning the entire graph structure, sometimes testing a basic graph property such as connectivity, cycle presence or maximum clique size is a more relevant and attainable objective. Since property…

2017-09-20abs ↗pdf ↗

The balance property is crucial for insurance pricing, ensuring total actuarial price equals loss. Maximum likelihood GLMs fulfill it, but Lindholm-Wüthrich suggests three methods, with constrained GLM being superior.

problem Ensuring the balance property in insurance pricing models
method Using constrained GLM fitting
result Constrained GLM fitting is superior to the two previously discussed balance correction methods

We investigate probabilistic graphical models that allow for both cycles and latent variables. For this we introduce directed graphs with hyperedges (HEDGes), generalizing and combining both marginalized directed acyclic graphs (mDAGs) that can model latent (dependent) variables, and directed mixed graphs (DMGs) that c…

2017-10-24abs ↗pdf ↗

Develops Active Fourier Auditor to estimate ML model properties without reconstructing them.

problem Verifying and auditing properties of Machine Learning models in real-world applications.
method A new framework that quantifies ML model properties using Fourier coefficients, without reconstructing the model.
result Active Fourier Auditor (AFA) is more accurate and sample-efficient than baselines for estimating robustness, individual fairness, and group fairness.

Study builds ML models to predict fuel properties accurately.

problem Accurate prediction of liquid fuel properties over a wide range of conditions.
method Used Gaussian Processes and probabilistic conditional generative learning to train ML models on fuel density data.
result ML models can predict fuel properties accurately across various pressure and temperature conditions.

Linear properties are either universal or absent across language models.

problem Explaining the prevalence of linear properties in language models.
method Proved identifiability of distribution-equivalent next-token predictors and analyzed various notions of linearity.
result Linear properties either hold in all or none distribution-equivalent next-token predictors.

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 ↗

Study examines auditing fairness in evolving models, identifying strategic updates that preserve audit properties.

problem Auditing fairness in machine learning models that adapt to changing environments.
method Characterizes strategic updates that preserve audit properties, proposes a generic PAC auditing framework.
result Establishes distribution-free auditing bounds for statistical parity using the SP dimension.

We assume that a high-dimensional datum, like an image, is a compositional expression of a set of properties, with a complicated non-linear relationship between the datum and its properties. This paper proposes a factorial mixture prior for capturing latent properties, thereby adding structured compositionality to deep…

2018-12-18abs ↗pdf ↗

We construct default-free interest rate models in the spirit of the well-known Markov funcional models: our focus is analytic tractability of the models and generality of the approach. We work in the setting of state price densities and construct models by means of the so called propagation property. The propagation pr…

2009-10-27abs ↗pdf ↗

Although machine learning has been successfully used to propose novel molecules that satisfy desired properties, it is still challenging to explore a large chemical space efficiently. In this paper, we present a conditional molecular design method that facilitates generating new molecules with desired properties. The p…

2018-04-30abs ↗pdf ↗

A new model uses Toeplitz matrices to analyze time-series data transitions.

problem Analyzing transitions in time-series data from nonautonomous systems.
method Deep Koopman-layered models with learnable Toeplitz matrices, leveraging Toeplitz matrices' universal property.
result The model demonstrates universality and generalization, outperforming existing methods.

New method uses cycle consistency to enforce invariance in latent space.

problem Learning meaningful and independent factors of variation in datasets.
method Two separate latent subspaces, cycle consistency constraints, deep information bottleneck.
result Identifies more meaningful factors leading to sparser and interpretable models.

The paper extends sequences while preserving statistical properties using a mixture model.

problem Extending sequences while retaining their statistical properties.
method Auto-regressive Sequence Extension Mixture Model (SEMM) using deep learning.
result The mixture model outperforms traditional neural networks in sequence extension with statistical property retention.

Machine learning (ML) models have been shown to be vulnerable to Membership Inference Attacks (MIA), which infer the membership of a given data point in the target dataset by observing the prediction output of the ML model. While the key factors for the success of MIA have not yet been fully understood, existing defens…

2020-02-17abs ↗pdf ↗

Two ML frameworks predict antibody properties using structural data.

problem Predicting antibody properties using sequence and structural data.
method ANTIPASTI and INFUSSE models using graph representations and neural networks.
result ANTIPASTI predicts binding affinity; INFUSSE predicts residue flexibility.

Drug discovery aims to find novel compounds with specified chemical property profiles. In terms of generative modeling, the goal is to learn to sample molecules in the intersection of multiple property constraints. This task becomes increasingly challenging when there are many property constraints. We propose to offset…

2020-02-08abs ↗pdf ↗

Two models are identified for robust cross-impact analysis.

problem Developing and validating cross-impact models that fit data and are well-behaved.
method Classified cross-impact models according to desirable properties and evaluated them on three asset classes.
result Only one model satisfies all desirable properties and is suitable for applications.

The first goal of this note is to study the Almansi property on an m-dimensional model in the sense of Greene and Wu and, more generally, in a Riemannian geometric setting. In particular, we shall prove that the only model on which the Almansi property is verified is the Euclidean space R^m. In the second part of the p…

2017-08-30abs ↗pdf ↗

Framework for interpreting ML models to reveal properties of real-world phenomena.

problem Lack of direct interpretability in modern ML models hinders scientific understanding.
method Developed 'property descriptors' grounded in statistical learning theory.
result Property descriptors can reveal relevant properties of joint probability distributions.

How can we model networks with a mathematically tractable model that allows for rigorous analysis of network properties? Networks exhibit a long list of surprising properties: heavy tails for the degree distribution; small diameters; and densification and shrinking diameters over time. Most present network models eithe…

2008-12-29abs ↗pdf ↗

Proposes a new model to predict polymer properties by integrating various data types.

problem Inaccurate polymer property prediction due to separate modeling of different data types.
method Multi-modal cascade feature transfer using GCN for chemical structure and molecular descriptors.
result Empirically evaluated model shows higher predictive performance than single-feature approaches.

IH-GAN models cellular structures accurately and improves structural performance.

problem Optimizing variable-density cellular structures with multiscale design challenges.
method Conditional deep generative model (IH-GAN) for property-to-geometry mapping using implicit function parameterization.
result Generates unit cells with high accuracy and improves structural performance.

Study shows explanation disparities in machine learning models are influenced by data and model properties.

problem Disparities in post-hoc machine learning explanation methods across race and gender.
method Simulations and experiments on a real-world dataset to assess challenges to explanation disparities.
result Increased covariate shift, concept shift, and omission of covariates increase explanation disparities, especially for neural network models.

We show how risk measures originally defined in a model free framework in terms of acceptance sets and reference assets imply a meaningful underlying probability structure. Hereafter we construct a maximal domain of definition of the risk measure respecting the underlying ambiguity profile. We particularly emphasise li…

2017-03-03abs ↗pdf ↗

This study reveals a Min-Max property in LeNet's convolutional layers, enhancing adversarial robustness.

problem Uncertainty in the connection weights of convolutional layers in neural networks.
method Demonstrates the Min-Max property through back propagation-based training and a simplified convolution formulation.
result The Min-Max property improves adversarial robustness, indicating a stronger uncertainty in the model parameters.

Multi-party machine learning leaks global dataset properties even with black-box access.

problem Leakage of global dataset properties in multi-party machine learning.
method Demonstrated leakage of sensitive attribute distributions in pooled data.
result A curious party can infer sensitive attribute distributions in other parties' data with high accuracy.

New model predicts radiative properties of nanoparticle layers with high accuracy and uncertainty.

problem Predicting radiative properties of nanoparticle embedded layers accurately and with uncertainty.
method Conditional normalizing flows learn conditional distributions of optical outputs given input parameters.
result The model achieves high predictive accuracy and reliable uncertainty estimates.

While it has not yet been proven, empirical evidence suggests that model generalization is related to local properties of the optima which can be described via the Hessian. We connect model generalization with the local property of a solution under the PAC-Bayes paradigm. In particular, we prove that model generalizati…

2018-09-19abs ↗pdf ↗

This work introduces new ways to compare adversarial robustness of classifiers globally.

problem The limitations of point-wise measures in comparing adversarial robustness.
method Robustness curves and scale analysis to uncover global properties of robustness.
result Point-wise measures fail to capture important global properties of adversarial robustness.

Determinantal point processes (DPPs) are probabilistic models for repulsion. When used to represent the occurrence of random subsets of a finite base set, DPPs allow to model global negative associations in a mathematically elegant and direct way. Discrete DPPs have become popular and computationally tractable models f…

2018-10-04abs ↗pdf ↗

Hybrid model speeds up galaxy simulations by incorporating baryonic properties.

problem Inaccurate baryonic properties in dark matter-only simulations.
method Combining analytic models and machine learning for faster, more accurate simulations.
result Hybrid model outperforms machine learning alone for some baryonic properties.