Optimizes natural frequencies of cellular composites with various microstructures.
problem Designing cellular composites with diverse microstructures for maximizing natural frequencies.
method Data-driven topology optimization with a latent-variable Gaussian process model.
result Cellular designs with multiclass microstructures achieve higher natural frequencies.
New method optimizes diffusion models without fine-tuning, integrating soft value functions.
problem Optimizing natural design spaces of images, molecules, DNA, RNA, and protein sequences.
method Iterative sampling method integrating soft value functions into diffusion model inference.
result Directly utilizes non-differentiable features/reward feedback, applies to discrete diffusion models.
Automates translating natural language to Verilog for digital design.
problem Manual translation of natural language specifications to Verilog is time-consuming and error-prone.
method Fine-tuned GPT-2 to derive Verilog from English, using a dataset of design tasks.
result GPT-2 achieved 94.8% correct translation across simple and abstract design tasks.
A new framework generates large hierarchical search spaces for neural architectures.
problem Discovering neural architectures from simple blocks is hard.
method Context-free grammars for a unified, scalable search space.
result Efficiently searches over complete architectures, outperforming existing methods.
New methods using natural gradient for structured optimization.
problem Structured optimization problems.
method Structured second-order methods via natural gradient descent.
result Efficiency demonstrated on non-convex and deep learning problems.
We simplify diffusion models by defining a design space and improving FID scores.
problem Complexity in diffusion-based generative models.
method Defined a design space, improved sampling and training processes, and pre-conditioned score networks.
result Improved FID scores of 1.79 for CIFAR-10 and 1.97 for unconditional settings.
NLP techniques improve drug discovery by analyzing chemical and protein text.
problem Improving drug discovery through better analysis of chemical and protein text.
method Natural language processing techniques applied to biochemical entities.
result Enhanced prediction of molecular properties and design of novel molecules.
We propose a novel method that makes use of deep neural networks and gradient decent to perform automated design on complex real world engineering tasks. Our approach works by training a neural network to mimic the fitness function of a design optimization task and then, using the differential nature of the neural netw…
Developing a range-aware Bayesian optimization framework for discovering diverse designs within target property windows.
problem Discovering multiple, distinct solutions within target property windows.
method Range-aware Bayesian optimization framework.
result Consistently recovers larger and more diverse sets of valid designs.
Automates design of lightweight neural networks for image classification.
problem Designing efficient neural networks for edge devices with limited computational resources.
method Uses the Mesh Adaptive Direct Search (MADS) algorithm to optimize network architecture.
result Achieves comparable performance to standard methods with fewer design trials.
Automates building structural design with reduced mass and carbon footprint.
problem Time-consuming and laborious manual design process for buildings.
method Formulated building structures as graphs, trained end-to-end pipeline with a differentiable simulator.
result Optimal structural designs comparable to GA, with reduced building mass and carbon footprint.
We consider solution of stochastic storage problems through regression Monte Carlo (RMC) methods. Taking a statistical learning perspective, we develop the dynamic emulation algorithm (DEA) that unifies the different existing approaches in a single modular template. We then investigate the two central aspects of regres…
The paper improves experimental design by weighting diversity metrics with quality, leading to more diverse and effective discoveries.
problem Existing experimental design techniques favor exploitation over exploration, leading to local optima and insufficient diversity.
method The paper extends Vendi scores to account for quality and applies them to various experimental design problems.
result Quality-weighted Vendi scores allow for better balance between quality and diversity, resulting in 70%-170% more effective discoveries.
LaMBO optimizes biological sequences using autoencoders and Bayesian optimization.
problem Bayesian optimization for drug design is limited by discrete, high-dimensional decision variables.
method Jointly trains denoising autoencoder with a Gaussian process head for gradient-based optimization in latent space.
result LaMBO outperforms genetic optimizers and requires no large pretraining corpus.
Adaptive calibration improves model accuracy with fewer simulations.
problem Inefficient calibration of complex models using fixed designs.
method Bayesian adaptive experimental design to optimize simulation runs.
result The method achieves better parameter estimation with fewer simulations.
This paper introduces CENIE to quantify environment novelty for better UED.
problem Challenges in measuring environment novelty for effective UED.
method CENIE framework using state-action space coverage and Gaussian Mixture Models.
result CENIE improves UED performance across multiple benchmarks.
New BED method handles online inference for partially observed dynamical systems.
problem Optimizing data collection for partially observable, partially online dynamical systems.
method Derived estimators of expected information gain and its gradient for SSMs, using nested particle filters.
result Successfully handles both partial observability and online inference in realistic models.
Unified perspective on natural gradient methods for GMMs, improving variational inference.
problem Efficiently learning multi-modal approximations of complex distributions.
method Comparison and optimization of VIPS and iBayes-GMM methods for Gaussian mixture models.
result Hybrid approach significantly outperforms both VIPS and iBayes-GMM.
Survey of 1000 NAS papers, automating neural architecture design.
problem Designing high-performing neural architectures for various tasks.
method Taxonomy of search spaces, algorithms, and speedup techniques.
result NAS has surpassed human-designed architectures on many tasks.
We consider a general class of non-linear Bellman equations. These open up a design space of algorithms that have interesting properties, which has two potential advantages. First, we can perhaps better model natural phenomena. For instance, hyperbolic discounting has been proposed as a mathematical model that matches …
Designing a photometric system to best fulfil a set of scientific goals is a complex task, demanding a compromise between conflicting requirements and subject to various constraints. A specific example is the determination of stellar astrophysical parameters (APs) - effective temperature, metallicity etc. - across a wi…
New method samples Jeffreys prior for objective Bayesian inference.
problem Sampling from Jeffreys prior is challenging.
method Metropolis-Adjusted Langevin Algorithm
result Samples can be directly used in Bayesian methods.
Design-by-Morphing creates radical airfoil designs without geometric constraints.
problem Design constraints limit airfoil design novelty and small changes.
method Design-by-Morphing (DbM) creates a search space without geometric constraints.
result DbM generates radical airfoils with remarkable lift-over-drag ratio and stall angle tolerance.
We propose and analyze a regularization approach for structured prediction problems. We characterize a large class of loss functions that allows to naturally embed structured outputs in a linear space. We exploit this fact to design learning algorithms using a surrogate loss approach and regularization techniques. We p…
A quantum model classifies financial sentiment by mapping text chunks to quantum circuits.
problem Classifying financial texts with high accuracy and preserving semantic information.
method Chunked diagrams are mapped to quantum circuits, with a Transformer encoder and type embeddings added for context.
result The hybrid model improves sentiment classification over a simple averaging baseline.
Unsupervised learning of probabilistic models is a central yet challenging problem in machine learning. Specifically, designing models with tractable learning, sampling, inference and evaluation is crucial in solving this task. We extend the space of such models using real-valued non-volume preserving (real NVP) transf…
Kernel methods are among the most popular techniques in machine learning. From a frequentist/discriminative perspective they play a central role in regularization theory as they provide a natural choice for the hypotheses space and the regularization functional through the notion of reproducing kernel Hilbert spaces. F…
We propose a neural network approach to price EU call options that significantly outperforms some existing pricing models and comes with guarantees that its predictions are economically reasonable. To achieve this, we introduce a class of gated neural networks that automatically learn to divide-and-conquer the problem …
QCircuitBench provides a dataset for evaluating AI's ability to design quantum algorithms.
problem Lack of datasets for evaluating AI's capability in designing quantum algorithms.
method Developed a comprehensive benchmark dataset with 120,290 data points, including 25 algorithms and 3 task suites.
result LLMs exhibit consistent error patterns and fine-tuning does not always outperform few-shot learning.
Wind farm layout optimisation tackles space constraints with Bayesian multi-objective approach.
problem Optimizing wind farm layout due to limited space and conflicting objectives.
method Set-based multi-objective Bayesian optimisation using Gaussian process.
result Demonstrates potential of set-based Bayesian multi-objective optimisation for wind farm layout.
This paper is a continuation of I, (same title), and is concerned with the existence, regularity and degeneration of metrics minimizing natural curvature functionals on the space of metrics on 3-manifolds. The functionals chosen are designed to be optimal w.r.t. the issue of geometrization of the underlying 3-manifold,…
GCNNs on homogeneous spaces use vector bundles and Hilbert spaces.
problem Learning data on homogeneous spaces with global symmetry.
method Analysis of G-equivariant convolutional layers on homogeneous G/K spaces, using vector bundles and reproducing kernel Hilbert spaces. result A precise criterion for expressing G-equivariant layers as convolutional layers, leading to stronger results for some groups. Proposes a framework to fuse heterogeneous data sources for better modeling.
problem Heterogeneous data sources with different input parameter spaces.
method Input mapping calibration (IMC) and latent variable Gaussian process (LVGP).
result Improved predictive accuracy over single source models.
Formal methods verify continuous auctions at exchanges.
problem Ensuring fairness and correctness in continuous auctions.
method Formal specification, design, and verification of continuous double auctions.
result A verified algorithm satisfies natural properties of auctions.
Improved Bayesian learning rule handles positive-definite constraints efficiently.
problem Bayesian learning rule struggles with positive-definite constraints.
method Proposes an improved rule using Riemannian gradient methods for block-coordinate natural parameterization.
result Outperforms existing methods without increased computation.
HyBO optimizes hybrid structures using diffusion kernels.
problem Optimizing complex interactions between discrete and continuous variables.
method HyBO uses diffusion kernels over hybrid spaces with additive kernel formulation.
result HyBO significantly outperforms state-of-the-art methods on real-world benchmarks.
Action-BED: Task-Driven Bayesian Experimental Design
problem Bayesian experimental design with doubly intractable objectives
method Formulating BED in terms of expected future loss (EFL) and optimising it with stochastic gradients
result Simplified and task-driven framework for BED
New algorithm uses GNNs to optimize rewards in graph-structured data.
problem Optimizing rewards in molecule design with graph-structured data.
method Embedding permutation invariance into GNNs and using GNTK for regret bounds.
result First GNN confidence bound and phased-elimination algorithm with sublinear regret.
AntBO optimizes antibody design using Bayesian optimization for efficient and effective CDRH3 sequence generation.
problem Designing optimal antigen-specific CDRH3 regions in antibody design due to combinatorial sequence space.
method Combinatorial Bayesian optimization framework with trust region for developability.
result AntBO designs CDRH3 regions with diverse biophysical properties and outperforms existing methods.
PaDGAN generates diverse, high-quality designs with improved performance.
problem Lack of diversity and performance improvement in generated designs.
method Integrates Determinantal Point Processes for diversity and quality, using GAN framework.
result PaDGAN generates higher quality designs with better diversity and without mode collapse.
This paper proposes a new approach to construct high quality space-filling sample designs. First, we propose a novel technique to quantify the space-filling property and optimally trade-off uniformity and randomness in sample designs in arbitrary dimensions. Second, we connect the proposed metric (defined in the spatia…
RG-VFM extends VFM to curved manifolds for better material and protein design.
problem Designing materials and proteins on curved manifolds.
method Riemannian Gaussian Variational Flow Matching (RG-VFM) for generative modeling on manifolds.
result RG-VFM more effectively captures manifold structure and improves performance.
Unified framework for U-Net design and analysis.
problem Understudied design and architecture of U-Nets.
method Theoretical results, Multi-ResNets, function constraints encoding.
result Competitive and superior performance in various tasks.
Machine understanding of complex images is a key goal of artificial intelligence. One challenge underlying this task is that visual scenes contain multiple inter-related objects, and that global context plays an important role in interpreting the scene. A natural modeling framework for capturing such effects is structu…
A new algorithm for training generative models using Sinkhorn divergence.
problem Training generative adversarial networks (GANs).
method Sinkhorn Natural Gradient (SiNG) algorithm for steepest descent on probability space.
result Explicit expression and efficient evaluation of the Sinkhorn information matrix (SIM).
A new method reduces both input and output dimensions for better goal-oriented analysis.
problem Simultaneous reduction of input and output dimensions for more accurate analysis.
method Coupled input-output dimension reduction, optimizing gradient-based bounds.
result Determine most informative sensors and influential parameters efficiently.
New Lie-group methods preserve geometric divergence-free features on manifolds.
problem Designing divergence-free Lie-group methods on manifolds.
method Introducing planar aromatic trees to span the free tracial post-Lie-Rinehart algebra.
result New Lie-group methods derived for high-order accuracy.
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.