Introduces a new geometric method for optimal experimental design.
problem Restrictive invariance properties of traditional OED approaches based on probability densities.
method Mutual transport dependence (MTD) using optimal transport theory.
result Demonstrates high-quality designs and flexibility compared to standard methods.
Generative model designs highly designable proteins using geometric algebra.
problem Creating proteins with diverse and statistically accurate secondary structures.
method Introduced a geometric algebra flow matching model (FrameFlow) with Clifford Frame Attention (CFA) for protein backbone design.
result Achieved high designability, diversity, and novelty in protein backbone sampling.
SketchGraphs dataset aids in modeling CAD designs.
problem Training models to reason about CAD designs efficiently.
method Collection of 15 million sketches with geometric constraint graphs.
result Demonstrated use cases for generative modeling and conditional generation.
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.
Survey explores geometric aspects of policy optimization in control systems.
problem Understanding the geometric relationships between control design and optimization.
method Geometric perspective on policy optimization, focusing on parameterization and topology.
result Implications of policy geometry on stability and performance of local search algorithms.
Unified model learns from proteins and ligands for drug design.
problem Disjoint data sources and modeling assumptions limit joint use of structure- and ligand-based drug design.
method Contrastive Geometric Learning for Unified Computational Drug Design (ConGLUDe)
result Unified model achieves competitive zero-shot virtual screening performance and state-of-the-art ligand-conditioned pocket selection.
Geometric vector perceptrons improve protein structure learning.
problem Learning from protein structure with efficient and natural representations.
method Introducing geometric vector perceptrons to extend dense layers for Euclidean vectors, integrating geometric and relational reasoning.
result Improves model quality assessment and computational protein design over existing methods.
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.
A new geometric shaping method is proposed, leveraging unsupervised machine learning to optimize the constellation design. The learned constellation mitigates nonlinear effects with gains up to 0.13 bit/4D when trained with a simplified fiber channel model.
We construct a number of sculptures, each based on a geometric design native to the three-dimensional sphere. Using stereographic projection we transfer the design from the three-sphere to ordinary Euclidean space. All of the sculptures are then fabricated by the 3D printing service Shapeways.
New approach reduces shape optimization anomalies and improves design quality.
problem Improving global optimization efficiency and avoiding geometrical anomalies in shape optimization.
method Reducing design variables, modeling generative process via probabilistic models, penalizing anomalous designs.
result Abnormal designs are penalized, leading to high-quality designs and improved convergence.
Convex regression is a promising area for bridging statistical estimation and deterministic convex optimization. New piecewise linear convex regression methods are fast and scalable, but can have instability when used to approximate constraints or objective functions for optimization. Ensemble methods, like bagging, sm…
Optimizes hydrokinetic turbine design using morphing and Bayesian optimization.
problem Designing optimal hydrokinetic turbine shapes due to high cost and geometric constraints.
method Design-by-Morphing (DbM) and Mixed variable, Multi-Objective Bayesian Optimization (MixMOBO).
result Optimized shapes lead to maximum power output with minimal evaluations.
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…
ICLR 2021 challenge in computational geometry and topology attracted 16 teams.
problem Designing and evaluating computational methods in differential geometry and topology.
method Designing and hosting an open-source competition with repositories Geomstats and Giotto-TDA.
result 16 teams participated in the challenge, showcasing innovative contributions to computational geometry and topology.
Generative thermal design learns optimal shapes using multi-agent reinforcement learning.
problem Complex thermal design challenges due to convection-diffusion equation and boundary interactions.
method Cooperative multi-agent deep reinforcement learning with continuous geometric representation.
result Framework learns optimal design strategies without shape derivation or differentiable objectives.
Geometric structure reveals optimal investment and hedging products.
problem Optimal design of investment and hedging products.
method Investigation of geometric structure in risks and returns using a simple formula.
result Duality between hedging and investment with geometric interpretation of rationality.
Quantum neural networks need both data-dependent and trainable unitaries for effective geometric deformation.
problem Quantum neural networks lack the geometric flexibility of classical networks due to limitations in state reachability.
method Viewing quantum states as embedded manifolds, we analyze infinitesimal unitary actions and introduce the CLA maps and aCLS criterion.
result Geometric flexibility in quantum neural networks requires a joint dependence on data and trainable weights.
Why and how that deep learning works well on different tasks remains a mystery from a theoretical perspective. In this paper we draw a geometric picture of the deep learning system by finding its analogies with two existing geometric structures, the geometry of quantum computations and the geometry of the diffeomorphic…
A new DL framework preserves geometric structures for causal predictions.
problem Designing deep learning models for geometrically structured data.
method Introduces a universal causal geometric DL framework.
result DL models can approximate any regular map between metric spaces.
Wi-GATr learns to simulate wireless signals with high accuracy and speed.
problem Inaccurate wireless signal propagation models limit modern communication system design.
method Wi-GATr uses a Geometric Algebra Transformer to learn from scene primitives.
result Wi-GATr achieves more accurate predictions than existing methods.
New geometric regularizers improve deep learning generalization.
problem Improving deep learning models' ability to generalize to unseen data.
method Using Bregman divergence loss and bounded spectral products, we propose a novel geometric regularizer to enhance model generalization.
result Good generalization can be achieved by designing deep models with specific structural regularizers.
Geometric GNNs improve graph discrimination through GWL.
problem Discriminating geometric graphs embedded in Euclidean space.
method Proposed a geometric version of the Weisfeiler-Leman test (GWL) for geometric graphs.
result Characterized the expressive power of geometric GNNs based on physical symmetries.
Transformers mimic Bayesian reasoning in controlled settings, revealing geometric mechanisms.
problem Verifying if transformers perform Bayesian reasoning rigorously in natural data.
method Constructing Bayesian wind tunnels with known posteriors and proving memorization impossibility.
result Transformers achieve 10−3-10−4 bit accuracy in Bayesian posteriors, while MLPs fail. Unified geometric framework for Brownian motion on various manifolds.
problem Modeling Brownian motion on complex Riemannian manifolds.
method Constructing stochastic differential equations with noise and drift terms aligned with Laplace-Beltrami operators.
result Geometrically transparent and mathematically consistent foundation for diffusion processes.
PGEL learns embeddings to diversify protein motifs while maintaining biological function.
problem Generating diverse protein structures while preserving biological function.
method Embedding learning framework that enhances motif diversity in a diffusion model's frozen denoiser.
result PGEL achieves greater structural diversity, better designability, and improved self-consistency compared to partial diffusion.
This informal technical report details the geometric illustration of decision boundaries for ReLU units in a three layer fully connected neural network. The network is designed and trained to predict pixel intensity from an (x, y) input location. The Geometric Illustration of Neural Networks (GINN) tool was built to vi…
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.
This is the first paper in a series (of four) designed to show how to use geometric algebras of multivectors and extensors to a novel presentation of some topics of differential geometry which are important for a deeper understanding of geometrical theories of the gravitational field. In this first paper we introduce t…
Survey of de Casteljau's algorithm's applications in geometric data analysis.
problem No specific problem stated; focuses on algorithm applications.
method Constructive approach to generalize parametric smooth curves to manifolds.
result Algorithm provides principled way to analyze geometric data.
This paper introduces online algorithms to estimate robust geometric median in large data streams.
problem Detecting outliers in large data sets using robust statistical measures.
method Online stochastic Newton methods for estimating the geometric median.
result Rates of convergence for online estimation of the geometric median.
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.
GSAN learns adaptive node representations using geometric scattering and attention.
problem Oversmoothing in node representation learning.
method Attention-based architecture integrating geometric scattering and GCN channels.
result GSAN outperforms previous networks in semi-supervised node classification.
Law explains how deep networks separate data for classification.
problem Black-box nature of deep learning limits architecture design and interpretation.
method Studied how deep neural networks process data in intermediate layers.
result Law of geometric data separation emerges in various architectures and datasets.
Graph Neural Networks improve financial time series forecasting accuracy.
problem Forecasting univariate financial time series with statistical significance.
method Introducing the Time-Geometric model combining geometric and temporal patterns.
result Statistically significant improvements in forecasting accuracy through geometric patterns.
This paper provides an introduction to the basics of Heegaard Floer homology with some emphasis on the hat theory and to the contact geometric invariants in the theory. The exposition is designed to be comprehensible to people without any prior knowledge of the subject.
Deep networks improve by progressively refining approximations at each layer.
problem Standard approximation theory doesn't explain the role of intermediate layers in deep neural networks.
method Developed a mixed-activation architecture with a geometric scale interpretation of depth.
result Each intermediate layer approximates the target function with a geometric rate.
Python tools for 3D shape analysis on Kendall's space.
problem Lack of practical utilities for advanced 3D shape analysis.
method Developed Python tools for 3D shape analysis on Kendall's 3D Shape Space.
result Efficient, accessible software solutions for researchers.
Bayesian design improves accuracy without extra cost.
problem Nested inference in complex systems limits BED accuracy and efficiency.
method Grouped geometric pooled posterior with EKI formulation.
result Improved accuracy and stable estimators at comparable cost.
New method weaves paper strips for designing curved surfaces with elasticity.
problem Designing general curved surfaces with geometrical elasticity.
method Shape optimization of paper strips using nonlinear elasticity theory.
result Demonstrated creation of catenoid and helicoid surfaces with 54 paper strips.
Bayesian methods estimate regression functions on submanifolds using graph Laplacian eigenbasis.
problem Estimating regression functions on unknown smooth submanifolds.
method Random geometric graph structure, Bayesian priors based on random basis expansion in graph Laplacian eigenbasis.
result Posterior contraction rates are minimax optimal for any positive smoothness index.
Jets of mappings introduced by Ehresmann are still the most useful objects for formulating geometric frameworks of physical theories. We are proposing modifications designed to make jet theory less dependent on local coordinates. Extensions of the theory with applications to the calculus of variations and mechanics are…
Study of motion constraints and path-following on 3D space.
problem Path-following with non-holonomic constraints on R3. method Exploration of geometric structure and construction of guiding vector fields.
result General principles for constructing guiding vector fields for path-following.
Surfaces and curves play an important role in geometric design. In recent years, problem of finding a surface passing through a given curve have attracted much interest. In the present paper, we propose a new method to construct a surface interpolating a given curve as the geodesic curve of it. Also, we analyze the con…
SRCA reduces high-dimensional data to lower dimensions while preserving geometric structures.
problem High-dimensional datasets with underlying geometric structures.
method Spherical Rotation Component Analysis (SRCA) incorporating geometric loss functions.
result SRCA provides a low-rank spherical representation of data with general theoretic guarantees.
Unified geometric flows improve deep learning efficiency and simplify neural network topologies.
problem Improving deep learning performance and simplifying neural network structures.
method Proposes a thermodynamically coupled Ricci flow that dynamically adapts parameter space geometry to loss landscape topology, enabling automated singularity resolution and providing entanglement entropy bounds.
result Demonstrates 2.1× convergence acceleration and 63% topological simplification while maintaining O(NlogN) complexity, outperforming Riemannian baselines by 15.2% in few-shot accuracy. TomOpt optimizes muon detector designs using differentiable programming.
problem Designing efficient particle detectors for muon tomography.
method Differentiable programming for muon interaction modeling, inference, and optimisation.
result Demonstrated end-to-end differentiable and inference-aware optimisation of particle physics instruments.
The paper explores the geometry and topology of DNN decision boundaries.
problem Understanding the geometric and topological properties of DNN decision boundaries.
method Differential geometry and the Gauss-Bonnet-Chern theorem.
result Computed the Euler characteristics of compact decision boundaries.