Seminars and Colloquia by Series

Stability of explicit integrators on Riemannian manifolds

Series
Applied and Computational Mathematics Seminar
Time
Monday, December 2, 2024 - 14:00 for 1 hour (actually 50 minutes)
Location
Skiles 005 and https://gatech.zoom.us/j/94954654170
Speaker
Brynjulf OwrenNorwegian University of Science and Technology
In this talk, I will discuss some very recent results on non-expansive numerical integrators on Riemannian manifolds.
 
We shall focus on the mathematical results, but the work is motivated by neural network architectures applied to manifold-valued data, and also by some recent activities in the simulation of slender structures in mechanical engineering. In Arnold et al. (2024), we proved that when applied to non-expansive continuous models, the Geodesic Implicit Euler method is non-expansive for all stepsizes when the manifold has non-positive sectional curvature. Disappointing counter-examples showed that this cannot hold in general for positively curved spaces. In the last few weeks, we have considered the Geodesic Explicit Euler method applied to non-expansive systems on manifolds of constant sectional curvature. In this case, we have proved upper bounds for the stepsize for which the Euler scheme is non-expansive.
 
Reference
Martin Arnold, Elena Celledoni, Ergys Çokaj, Brynjulf Owren and Denise Tumiotto,
B-stability of numerical integrators on Riemannian manifolds, J. Comput. Dyn.,  11(1) 2024, 92-107. doi: 10.3934/jcd.2024002 

Efficient, Robust, and Agnostic Generative Modeling with Group Symmetry and Regularized Divergences

Series
Applied and Computational Mathematics Seminar
Time
Monday, November 25, 2024 - 14:00 for 1 hour (actually 50 minutes)
Location
Skiles 005 and https://gatech.zoom.us/j/94954654170
Speaker
Ziyu ChenUniversity of Massachusetts Amherst

In this talk, I will discuss our recent theoretical advancements in generative modeling. The first part of the presentation will focus on learning distributions with symmetry. I will introduce results on the sample complexity of empirical estimations of probability divergences for group-invariant distributions, and present performance guarantees for GANs and score-based generative models that incorporate symmetry. Notably, I will offer the first quantitative comparison between data augmentation and directly embedding symmetry into models, highlighting the latter as a more fundamental approach for efficient learning. These findings underscore how incorporating symmetry into generative models can significantly enhance learning efficiency, particularly in data-limited scenarios. The second part will cover $\alpha$-divergences with Wasserstein-1 regularization. These divergences can be interpreted as $\alpha$-divergences constrained to Lipschitz test functions in their variational form. I will demonstrate how generative learning can be made agnostic to assumptions about target distributions, including those with heavy tails or low-dimensional and fractal supports, through the use of these divergences as objective functionals. I will outline the conditions for the finiteness of these divergences under minimal assumptions on the target distribution along with the variational derivatives and gradient flow formulation associated with them. This framework provides guarantees for various machine learning algorithms that optimize over this class of divergences. 

Mathematical and Numerical Understanding of Neural Networks: From Representation to Learning Dynamics

Series
Applied and Computational Mathematics Seminar
Time
Monday, November 18, 2024 - 14:00 for 1 hour (actually 50 minutes)
Location
Skiles 005 and https://gatech.zoom.us/j/94954654170
Speaker
Hongkai ZhaoDuke University

In this talk I will present both mathematical and numerical analysis as well as experiments to study a few basic computational issues in using neural network to approximate functions: (1) the stability and accuracy, (2) the learning dynamics and computation cost, and (3) structured and balanced approximation. These issues are investigated for both approximation and optimization in asymptotic and non-asymptotic regimes.

Damped Proximal Augmented Lagrangian Method for weakly-Convex Problems with Convex Constraints

Series
Applied and Computational Mathematics Seminar
Time
Wednesday, November 13, 2024 - 14:00 for 1 hour (actually 50 minutes)
Location
2443 Classroom Klaus and https://gatech.zoom.us/j/94954654170
Speaker
Yangyang XuRensselaer Polytechnic Institute

In this talk, I will present a damped proximal augmented Lagrangian method (DPALM) for solving problems with a weakly-convex objective and convex linear/nonlinear constraints. Instead of taking a full stepsize, DPALM adopts a damped dual stepsize. DPALM can produce a (near) eps-KKT point within eps^{-2} outer iterations if each DPALM subproblem is solved to a proper accuracy. In addition, I will show overall iteration complexity of DPALM when the objective is either a regularized smooth function or in a regularized compositional form. For the former case, DPALM achieves the complexity of eps^{-2.5} to produce an eps-KKT point by applying an accelerated proximal gradient (APG) method to each DPALM subproblem. For the latter case, the complexity of DPALM is eps^{-3} to produce a near eps-KKT point by using an APG to solve a Moreau-envelope smoothed version of each subproblem. Our outer iteration complexity and the overall complexity either generalize existing best ones from unconstrained or linear-constrained problems to convex-constrained ones, or improve over the best-known results on solving the same-structured problems. Furthermore, numerical experiments on linearly/quadratically constrained non-convex quadratic programs and linear-constrained robust nonlinear least squares are conducted to demonstrate the empirical efficiency of the proposed DPALM over several state-of-the art methods.

Regularized Stein Variational Gradient Flow

Series
Applied and Computational Mathematics Seminar
Time
Monday, November 11, 2024 - 14:00 for 1 hour (actually 50 minutes)
Location
Skiles 005 and https://gatech.zoom.us/j/94954654170
Speaker
Ye HeGeorgia Tech

The stein variational gradient descent (SVGD) algorithm is a deterministic particle method for sampling. However, a mean-field analysis reveals that the gradient flow corresponding to the SVGD algorithm (i.e., the Stein Variational Gradient Flow) only provides a constant-order approximation to the Wasserstein gradient flow corresponding to the KL-divergence minimization. In this work, we propose the Regularized Stein Variational Gradient Flow, which interpolates between the Stein Variational Gradient Flow and the Wasserstein gradient flow. We establish various theoretical properties of the Regularized Stein Variational Gradient Flow (and its time-discretization) including convergence to equilibrium, existence and uniqueness of weak solutions, and stability of the solutions. We provide preliminary numerical evidence of the improved performance offered by the regularization.

Interpretable machine learning with governing law discovery

Series
Applied and Computational Mathematics Seminar
Time
Monday, October 28, 2024 - 14:00 for 1 hour (actually 50 minutes)
Location
Skiles 005 and https://gatech.zoom.us/j/94954654170
Speaker
Mars GaoUniversity of Washington

Spatio-temporal modeling of real-world data presents significant challenges due to high-dimensionality, noisy measurements, and limited data. In this talk, we introduce two frameworks that jointly solve the problems of sparse identification of governing equations and latent space reconstruction: the Bayesian SINDy autoencoder and SINDy-SHRED. The Bayesian SINDy autoencoder leverages a spike-and-slab prior to enable robust discovery of governing equations and latent coordinate systems, providing uncertainty estimates in low-data, high-noise settings. In our experiments, we applied the Bayesian SINDy autoencoder to real video data, marking the first example of learning governing equations directly from such data. This framework successfully identified underlying physical laws, such as accurately estimating constants like gravity from pendulum videos, even in the presence of noise and limited samples.

 

In parallel, SINDy-SHRED integrates Gated Recurrent Units (GRUs) with a shallow decoder network to model temporal sequences and reconstruct full spatio-temporal fields using only a few sensors. Our proposed algorithm introduces a SINDy-based regularization. Beginning with an arbitrary latent state space, the dynamics of the latent space progressively converges to a SINDy-class functional. We conduct a systematic experimental study including synthetic PDE data, real-world sensor measurements for sea surface temperature, and direct video data. With no explicit encoder, SINDy-SHRED allows for efficient training with minimal hyperparameter tuning and laptop-level computing. SINDy-SHRED demonstrates robust generalization in a variety of applications with minimal to no hyperparameter adjustments. Additionally, the interpretable SINDy model of latent state dynamics enables accurate long-term video predictions, achieving state-of-the-art performance and outperforming all baseline methods considered, including Convolutional LSTM, PredRNN, ResNet, and SimVP.

Approximation of differential operators on unknown manifolds and applications

Series
Applied and Computational Mathematics Seminar
Time
Wednesday, October 16, 2024 - 14:00 for 1 hour (actually 50 minutes)
Location
Skiles 006 and https://gatech.zoom.us/j/98355006347
Speaker
John HarlimPennsylvania State University

I will discuss the numerical approximation of differential operators on unknown manifolds where the manifolds are identified by a finite sample of point cloud data. While our formulation is general, we will focus on Laplacian operators whose spectral properties are relevant to manifold learning. I will report the spectral convergence results of these formulations with Radial Basis Functions approximation and their strengths/weaknesses in practice. Supporting numerical examples, involving the spectral estimation of various vector Laplacians will be demonstrated. Applications to solve elliptic PDEs will be discussed. To address the practical issue with the RBF approximation, I will discuss a weak approximation with a higher-order local mesh method that not only promotes sparsity but also allows for an estimation of differential operators with nontrivial Cristoffel symbols such as Bochner and Hodge Laplacians.

Data-driven model discovery meets mechanistic modeling for biological systems

Series
Applied and Computational Mathematics Seminar
Time
Monday, October 7, 2024 - 14:00 for 1 hour (actually 50 minutes)
Location
Skiles 005 and https://gatech.zoom.us/j/98355006347
Speaker
Niall M ManganNorthwestern University
Abstract: Building models for biological, chemical, and physical systems has traditionally relied on domain-specific intuition about which interactions and features most strongly influence a system.  Alternatively, machine-learning methods are adept at finding novel patterns in large data sets and building predictive models but can be challenging to interpret in terms of or integrate with existing knowledge. Our group balances traditional modeling with data-driven methods and optimization to get the best of both worlds.  Recently developed for and applied to dynamical systems, sparse optimization strategies can select a subset of terms from a library that best describes data, automatically interfering potential model structures from a broad but well-defined class. I will discuss my group's application and development of data-driven methods for model selection to 1) recover chaotic systems models from data with hidden variables,  2) discover models for metabolic and temperature regulation in hibernating mammals, and 3) model selection for differential-algebraic-equations. I'll briefly discuss current preliminary work and roadblocks in developing new methods for model selection of biological metabolic and regulatory networks.
 
Short Bio: Niall M. Mangan received the Dual BS degrees in mathematics and physics, with a minor in chemistry, from Clarkson University, Potsdam, NY, USA, in 2008, and the PhD degree in systems biology from Harvard University, Cambridge, MA, USA, in 2013. Dr. Mangan worked as a postdoctoral associate in the Photovoltaics Lab at MIT from 2013-2015 and as an Acting Assistant Professor at the University of Washington, Seattle from 2016-2017. She is currently an Assistant Professor of engineering sciences and applied mathematics with Northwestern University, where she works at the interface of mechanistic modeling, machine learning, and statistical inference. Her group applies these methods to many applications including metabolic and regulatory networks to accelerate engineering.

Exploring Conditional Computation in Transformer models

Series
Applied and Computational Mathematics Seminar
Time
Monday, September 30, 2024 - 14:00 for 1 hour (actually 50 minutes)
Location
Skiles 005 and ONLINE
Speaker
Xin WangGoogle Research

Transformer (Vaswani et al. 2017) architecture is a popular deep learning architecture that today comprises the foundation for most tasks in natural language processing and forms the backbone of all the current state-of-the-art language models. Central to its success is the attention mechanism, which allows the model to weigh the importance of different input tokens. However, Transformers can become computationally expensive, especially for large-scale tasks. To address this, researchers have explored techniques for conditional computation, which selectively activate parts of the model based on the input. In this talk, we present two case studies of conditional computation in Transformer models. In the first case, we examine the routing mechanism in the Mixture-of-Expert (MoE) Transformer models, and show theoretical and empirical evidence that the router’s ability to route intelligently confers a significant advantage to MoE models. In the second case, we introduce Alternating Updates (AltUp), a method to take advantage of increased residual stream width in the Transformer models without increasing the computation cost.

 

Speaker's brief introduction: Xin Wang is a research engineer in the Algorithms team at Google Research. Xin finished his PhD in Mathematics at Georgia Institute of Technology before coming to Google. Xin's research interests include efficient computing, memory mechanism for machine learning, and optimization.

The talk will be presented online at

 https://gatech.zoom.us/j/93087689904

Finding Cheeger cuts via 1-Laplacian of graphs

Series
Applied and Computational Mathematics Seminar
Time
Monday, September 23, 2024 - 14:00 for 1 hour (actually 50 minutes)
Location
Skiles 005
Speaker
Wei ZhuUniversity of Alabama at Tuscaloosa

Finding Cheeger cuts of graphs is an NP-hard problem, and one often resorts to approximate solutions. In the literature, spectral graph theory provides the most popular approaches for obtaining such approximate solutions. Recently, K.C. Chang introduced a novel nonlinear spectral graph theory and proved that the seek of Cheeger cuts is equivalent to solving a constrained optimization problem. However, this resulting optimization problem is also very challenging as it involves a non-differentiable function over a non-convex set that is composed of simplex cells of different dimensions. In this talk, we will discuss an ADMM algorithm for solving this optimization problem and provide some convergence analysis. Experimental results will be presented for typical graphs, including Petersen's graph and Cockroach graphs, the well-known Zachary karate club graph, and some preliminary applications in material sciences.

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