Enhances inverse design optimization with machine learning and reduced fidelity simulations.
problem Limited compute resources in inverse design optimization.
method Synergy of multi-fidelity simulations, machine learning, and search space reduction.
result Significant computational resource savings and improved optimization performance.
New method designs multilayer nanoparticles using AI.
problem Difficult to design multilayer nanoparticles by trial and error.
method Combines genetic algorithm and neural network for inverse design.
result Successfully designs multilayer nanoparticles efficiently.
Neural Optimal Design of Experiments improves inverse problem solving efficiency.
problem Optimal experimental design in inverse problems.
method Jointly trains a reconstruction model and design variables in a single loop.
result Significantly reduces computational complexity and improves reconstruction accuracy.
RID-Noise improves robust design under noisy conditions using neural networks.
problem Design robustness under noisy environments.
method Robust Inverse Design under Noise (RID-Noise) using conditional invertible neural networks (cINNs).
result RID-Noise achieves more effective robust design compared to state-of-the-art methods.
A new framework uses an Incremental Transformer to design geopolymer mixtures efficiently.
problem Designing geopolymer mixtures with limited data and physical constraints.
method Topology-aware surrogate framework guided by Incremental Transformer.
result The design space is redundant, with fewer effective mixture regimes.
Study uses machine learning to optimize seismic design parameters.
problem Optimizing seismic design parameters for performance-based design.
method Implementing explainable machine learning models to map design variables and performance metrics, integrated into a genetic optimization algorithm.
result Highly accurate surrogate models (R2> 90%) across diverse building types and hazards, identifying optimal member properties.
Gradient descent and SGD solve nonlinear inverse problems efficiently.
problem Solving nonlinear inverse problems with random design.
method Gradient descent and SGD with mini-batching, under classical assumptions.
result Achieves optimal convergence rates in RKHS framework.
This study proposes an efficient surrogate for Darcy flow inverse problems.
problem Efficiently constructing accurate surrogate models for high-dimensional complex inverse problems.
method Sequential Bayesian design strategy to acquire a locally accurate surrogate model focusing on high-probability regions.
result The proposed method accelerates inversion accuracy and computational speed.
Inverse design is an outstanding challenge in disordered systems with multiple length scales such as polymers, particularly when designing polymers with desired phase behavior. We demonstrate high-accuracy tuning of poly(2-oxazoline) cloud point via machine learning. With a design space of four repeating units and a ra…
The paper addresses human-like decision-making in multi-agent systems using bounded risk-sensitive Markov Games.
problem Modeling human-like decision-making in multi-agent systems with risk-seeking and loss-aversion behaviors.
method Forward policy design and inverse reward learning with iterative reasoning and cumulative prospect theory.
result The proposed algorithms demonstrate both risk-averse and risk-seeking behaviors in multi-agent systems.
Generative neural network designs novel 3D molecules with specified properties.
problem Designing molecules with desired properties in chemistry.
method Conditional generative neural network for 3D molecular structures.
result Demonstrated utility in generating novel molecules with specified motifs or composition.
Study designs for estimating treatment effects in adaptive experiments.
problem Estimating treatment effects under adaptive treatment assignment.
method Propose and analyze IPW and AIPW estimators, establish CLTs under design stability.
result Central limit theorems for IPW and AIPW estimators under design stability.
Gradient-free framework for Bayesian experimental design in complex systems.
problem Optimal experimental design in systems where gradient information is unavailable.
method Combines EKI and ALDI for optimization and sampling, with approximations for scalable utility estimation.
result Demonstrates robust, accurate, and efficient experimental design in various complex systems.
PIED optimizes experimental design for inverse problems using physics-informed neural networks.
problem Optimizing experimental design for inverse problems with limited budget and constraints.
method PIED uses physics-informed neural networks (PINNs) for continuous optimization of design parameters in one-shot deployments.
result PIED significantly outperforms existing ED methods in solving inverse problems, including unknown functions.
New method uses diffusion models for Bayesian inverse problems.
problem Solving Bayesian inverse problems with linear-Gaussian models.
method Decoupled Diffusion Sequential Monte Carlo (DDSMC) method.
result Asymptotically exact solution demonstrated on various data types.
Generative model creates frictional surfaces from friction laws.
problem Designing frictional interfaces with prescribed behavior is challenging.
method Uses Variational Autoencoders (VAEs) to infer surface topographies from friction laws.
result Efficiently generates candidate topographies without contact simulations.
Generative models learn distributions, new method finds inputs matching desired conditional distributions.
problem Designing inputs that produce specific conditional distributions, not just points.
method Conditional Distribution Matching (CDM) and MLGD-F algorithm.
result MLGD-F reliably recovers inputs matching diverse user-specified conditional distributions.
Materials discovery is decisive for tackling urgent challenges related to energy, the environment, health care and many others. In chemistry, conventional methodologies for innovation usually rely on expensive and incremental strategies to optimize properties from molecular structures. On the other hand, inverse approa…
Layout design with complex constraints is a challenging problem to solve due to the non-uniqueness of the solution and the difficulties in incorporating the constraints into the conventional optimization-based methods. In this paper, we propose a design method based on the recently developed machine learning technique,…
New methods tackle statistical inverse problems with random data.
problem Statistical inverse problems with random experimental design.
method Spectral regularization, regularization by projection, convex penalties.
result Minimax rates in expectation and probability for convergence.
This paper learns variational models and solvers for inverse problems from incomplete data.
problem Solving inverse problems with partially observed data.
method Joint learning of variational cost and gradient-based solver as neural networks.
result Joint learning leads to improved reconstruction performance.
Study shows sample complexity for logistic regression with normal covariates.
problem Estimating parameters of logistic regression with normal design.
method Analyzes sample complexity in terms of dimension and inverse temperature.
result Shows two change-points in sample complexity curve based on inverse temperature.
Designers of AI agents often iterate on the reward function in a trial-and-error process until they get the desired behavior, but this only guarantees good behavior in the training environment. We propose structuring this process as a series of queries asking the user to compare between different reward functions. Thus…
Solving the RNA inverse folding problem is a critical prerequisite to RNA design, an emerging field in bioengineering with a broad range of applications from reaction catalysis to cancer therapy. Although significant progress has been made in developing machine-based inverse RNA folding algorithms, current approaches s…
This work tackles exploding inverses in INNs, revealing and mitigating their numerical non-invertibility.
problem Exploding inverses in INNs cause numerical non-invertibility, leading to failures in various tasks.
method Derived bi-Lipschitz properties of INN building blocks, proposed regularizers for local invertibility, and stable INN designs for global invertibility.
result Bi-Lipschitz properties and stable INN designs are crucial for addressing numerical non-invertibility.
New method reduces memory usage for Bayesian inverse problems on large grids.
problem Solving large-scale linear inverse problems with Gaussian process priors.
method Implicit representation of posterior covariance matrices, sequential disintegrations of Gaussian measures.
result Significant reduction in uncertainty for high-density regions estimation.
Gaussian process regression helps approximate Bayesian inverse problems efficiently.
problem Computational intractability of Bayesian posterior distributions in inverse problems.
method Gaussian process regression to build a surrogate model for the likelihood.
result Error between true and approximate posterior can be bounded by weighted L2-norm error between true and approximate likelihood. Discovering new physical products and processes often demands enormous experimentation and expensive simulation. To design a new product with certain target characteristics, an extensive search is performed in the design space by trying out a large number of design combinations before reaching to the target characteris…
New method uses FY loss for better inverse optimization.
problem Estimating unknown parameters from noisy and suboptimal solutions.
method Fenchel-Young loss approach for efficient gradient-based optimization.
result Significant improvement in parameter estimation accuracy and computational speed.
Geometric framework explains and controls implicit bias in machine learning.
problem Understanding and controlling the selection of solutions in overparameterized models.
method Developed a theoretical and constructive framework based on geometric corrections induced by gradient noise and continuous symmetries of the loss.
result Computed the induced bias across various architectures and enabled inverse design to shape the bias.
Machine learning speeds up RIS design for efficient RF components.
problem Designing reconfigurable intelligent surfaces (RIS) for efficient RF components is time-consuming and resource-intensive.
method Machine/deep learning techniques are used to reduce the computational cost and time of RIS inverse design.
result Machine learning techniques significantly reduce the time and computational cost of RIS design.
Paper explores stability, regularization, and gradient flows for stochastic inverse problems.
problem Recovering random probability distributions from measurements.
method Direct inversion, variational formulation with regularization, and optimization via gradient flows.
result The choice of metric impacts stability and properties of the optimizer.
CNN outperforms other methods in gravity inversion.
problem Estimating subsurface density from gravitational field data.
method CNN, VAEs, GANs, iterative solvers (GD, GMRES, LGMRES, ICG).
result CNN provides the most reliable reconstructions.
We consider a statistical inverse learning problem, where we observe the image of a function f through a linear operator A at i.i.d. random design points Xi, superposed with an additive noise. The distribution of the design points is unknown and can be very general. We analyze simultaneously the direct (estimati…
Paper proposes efficient image inversion and editing using rectified stochastic differential equations.
problem Inversion and editing of real images using generative models.
method Proposes RF inversion using dynamic optimal control and a linear quadratic regulator, extending to stochastic sampler for Flux.
result Allows state-of-the-art performance in zero-shot inversion and editing, outperforming prior works.
The present paper studies so-called deep image prior (DIP) techniques in the context of ill-posed inverse problems. DIP networks have been recently introduced for applications in image processing; also first experimental results for applying DIP to inverse problems have been reported. This paper aims at discussing diff…
A new PGA algorithm ensures stable, robust, and noise-immune solutions for non-negative inverse problems.
problem Stable convergence and suboptimal solutions in inverse problems due to negative values and high sensitivity to hyperparameters.
method A novel multiplicative update proximal gradient algorithm (SSO-PGA) that enforces non-negativity and boundedness through a learnable sigmoid-based operator.
result Significantly surpasses traditional PGA and other state-of-the-art algorithms in performance and stability.
Deep learning models for inverse problems are evaluated over time.
problem Solving inverse problems for natural systems from measurements.
method Comparing deep learning approaches on benchmark tasks and proposing neural-adjoint method.
result Neural-adjoint method achieves best performance in many scenarios.
We develop a geometric version of the inverse problem of the calculus of variations for discrete mechanics and constrained discrete mechanics. The geometric approach consists of using suitable Lagrangian and isotropic submanifolds. We also provide a transition between the discrete and the continuous problems and propos…
The paper proposes an efficient method for estimating ATEs using adaptive experiments.
problem Estimating average treatment effects (ATEs) with minimal sample size and high accuracy.
method The paper defines and uses the efficient treatment-assignment probability to sequentially assign treatments, estimating ATEs using an Adaptive Augmented Inverse Probability Weighting (A2IPW) estimator.
result The proposed experimental design and A2IPW estimator achieve the minimized semiparametric efficiency bound and provide anytime valid confidence intervals for early stopping.
A major challenge in materials design is how to efficiently search the vast chemical design space to find the materials with desired properties. One effective strategy is to develop sampling algorithms that can exploit both explicit chemical knowledge and implicit composition rules embodied in the large materials datab…
Using results on the topology of moduli space of polygons [Jaggi, 92; Kapovich and Millson, 94], it can be shown that for a planar robot arm with n segments there are some values of the base-length, z, at which the configuration space of the constrained arm (arm with its end effector fixed) has two disconnected com…
Our objective is to estimate the unknown compositional input from its output response through an unknown system after estimating the inverse of the original system with a training set. The proposed methods using artificial neural networks (ANNs) can compete with the optimal bounds for linear systems, where convex optim…
GO-OED maximizes predictive information gain on nonlinear QoIs.
problem Maximizing information gain on nonlinear predictive quantities.
method Nested Monte Carlo estimator, Markov chain Monte Carlo, kernel density estimation, Bayesian optimization.
result GO-OED outperforms conventional OED in nonlinear settings.
Bayesian method for estimating inputs leading to specific probability outputs.
problem Estimating inputs for specific probability outputs of uncertain functions.
method Bayesian strategy using Gaussian process modeling and SUR principle.
result Surpassed performance of existing methods through numerical experiments.
A new method for estimating adversarial strategies in nonlinear systems.
problem Inferring an intelligent adversarial agent's strategy in highly nonlinear systems.
method Formulated inverse cognition as a nonlinear Gaussian state-space model and developed an inverse UKF (IUKF) system.
result The estimation error of IUKF converges and closely follows the recursive Cramér-Rao lower bound.
We consider composite loss functions for multiclass prediction comprising a proper (i.e., Fisher-consistent) loss over probability distributions and an inverse link function. We establish conditions for their (strong) convexity and explore the implications. We also show how the separation of concerns afforded by using …
Microfluidic devices are utilized to control and direct flow behavior in a wide variety of applications, particularly in medical diagnostics. A particularly popular form of microfluidics -- called inertial microfluidic flow sculpting -- involves placing a sequence of pillars to controllably deform an initial flow field…