Quantum model discovery uses DQCs to solve equations from data.
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EnKG solves inverse problems without derivatives, using diffusion models.
Since time immemorial, people have been looking for ways to organize scientific knowledge into some systems to facilitate search and discovery of new ideas. The problem was partially solved in the pre-Internet era using library classifications, but nowadays it is nearly impossible to classify all scientific and popular…
Why do nations produce scientific research? This is a fundamental problem in the field of social studies of science. The paper confronts this question here by showing vital determinants of science to explain the sources of social power and wealth creation by nations. Firstly, this study suggests a new general definitio…
Efficiently optimizes hyperparameters for PDE and inverse problems using Gaussian processes.
BEKAN uses RBFs and evolutionary methods to solve PDEs with boundary conditions.
SCaSML improves PDE solvers by correcting errors efficiently.
Differentiable programming aids in solving differential equations and their sensitivities.
Adapts VAEs for Bayesian inverse problems, quantifying uncertainty.
New method uses predictions to infer causal effects without labeled data.
OKRidge solves sparse ridge regression problems for nonlinear systems.
In recent years, ideas from statistics and scientific computing have begun to interact in increasingly sophisticated and fruitful ways with ideas from computer science and the theory of algorithms to aid in the development of improved worst-case algorithms that are useful for large-scale scientific and Internet data an…
We consider the problem of solving a large-scale Quadratically Constrained Quadratic Program. Such problems occur naturally in many scientific and web applications. Although there are efficient methods which tackle this problem, they are mostly not scalable. In this paper, we develop a method that transforms the quadra…
Last year, at least 30,000 scientific papers used the Kohn-Sham scheme of density functional theory to solve electronic structure problems in a wide variety of scientific fields, ranging from materials science to biochemistry to astrophysics. Machine learning holds the promise of learning the kinetic energy functional …
We consider the problem of precision matrix estimation where, due to extraneous confounding of the underlying precision matrix, the data are independent but not identically distributed. While such confounding occurs in many scientific problems, our approach is inspired by recent neuroscientific research suggesting that…
CPS solves inverse problems using forward passes and constrained particle seeking.
Measuring the relationship between any pair of variables is a rich and active area of research that is central to scientific practice. In contrast, characterizing the common information among any group of variables is typically a theoretical exercise with few practical methods for high-dimensional data. A promising sol…
MEP-Net uses MEP to generate solutions from limited data.
One of the open problems in scientific computing is the long-time integration of nonlinear stochastic partial differential equations (SPDEs). We address this problem by taking advantage of recent advances in scientific machine learning and the dynamically orthogonal (DO) and bi-orthogonal (BO) methods for representing …
There is significant interest in using modern neural networks for scientific applications due to their effectiveness in modeling highly complex, non-linear problems in a data-driven fashion. However, a common challenge is to verify the scientific plausibility or validity of outputs predicted by a neural network. This w…
New method generates clean data from corrupted observations.
MDNs offer a data-efficient alternative to diffusion and flow models for multimodal scientific learning.
New method uses LLMs to generate detailed scientific hypotheses.
AutoKE automates embedding physical knowledge into neural networks for complex engineering problems.
Optimal neural network approximation for Wasserstein gradient direction via convex optimization.
Efficiently solves high-dimensional ODEs with probabilistic methods.
Unified derivation of diffusion models using PDEs for inverse problems.
ML surrogates speed up Bayesian inverse problem solving.
To promote economic stability, finance should be studied as a hard science, where scientific methods apply. When a trading strategy is proposed, the underlying model should be transparent and defined robustly to allow other researchers to understand and examine it thoroughly. Like any hard sciences, results must be rep…
Paper develops IFTRR to solve sparse generalized eigenvalue problems efficiently.
Deep learning has achieved remarkable success in diverse applications; however, its use in solving partial differential equations (PDEs) has emerged only recently. Here, we present an overview of physics-informed neural networks (PINNs), which embed a PDE into the loss of the neural network using automatic differentiat…
Survey of deep learning models for scientific discovery.
Many scientific and engineering applications feature nonsmooth convex minimization problems over convex sets. In this paper, we address an important instance of this broad class where we assume that the nonsmooth objective is equipped with a tractable proximity operator and that the convex constraint set affords a self…
Data science models, although successful in a number of commercial domains, have had limited applicability in scientific problems involving complex physical phenomena. Theory-guided data science (TGDS) is an emerging paradigm that aims to leverage the wealth of scientific knowledge for improving the effectiveness of da…
New approach connects UQ in SciML to viscous HJ PDEs for efficient uncertainty quantification.
Clustering is a fundamental problem in many scientific applications. Standard methods such as -means, Gaussian mixture models, and hierarchical clustering, however, are beset by local minima, which are sometimes drastically suboptimal. Recently introduced convex relaxations of -means and hierarchical clustering s…
GPs' decisions can vary significantly with different kernels, even if kernels are qualitatively similar.
Classical numerical methods for solving partial differential equations suffer from the curse dimensionality mainly due to their reliance on meticulously generated spatio-temporal grids. Inspired by modern deep learning based techniques for solving forward and inverse problems associated with partial differential equati…
CoPhy-PGNN tackles competing PG losses in neural networks for solving eigenvalue problems.
In this paper we study the adaptive learnability of decision trees of depth at most from membership queries. This has many applications in automated scientific discovery such as drugs development and software update problem. Feldman solves the problem in a randomized polynomial time algorithm that asks $\tilde O(2^…
In order to evaluate the quality of the scientific research, we introduce a new family of scientific performance measures, called Scientific Research Measures (SRM). Our proposal originates from the more recent developments in the theory of risk measures and is an attempt to resolve the many problems of the existing bi…
The inverse Ising problem seeks to reconstruct the parameters of an Ising Hamiltonian on the basis of spin configurations sampled from the Boltzmann measure. Over the last decade, many applications of the inverse Ising problem have arisen, driven by the advent of large-scale data across different scientific disciplines…
Unified framework connects physical laws and machine learning.
Revisits orbital minimization for neural operator decomposition.
The preceding three decades have seen the emergence, rise, and proliferation of machine learning (ML). From half-recognised beginnings in perceptrons, neural nets, and decision trees, algorithms that extract correlations (that is, patterns) from a set of data points have broken free from their origin in computational c…
Financial institutions have massive computations to carry out overnight which are very demanding in terms of the consumed CPU. The challenge is to price many different products on a cluster-like architecture. We have used the Premia software to valuate the financial derivatives. In this work, we explain how Premia can …
Researchers often summarize their work in the form of posters. Posters provide a coherent and efficient way to convey core ideas from scientific papers. Generating a good scientific poster, however, is a complex and time consuming cognitive task, since such posters need to be readable, informative, and visually aesthet…
Deep QMC methods use neural networks to solve quantum chemistry problems.