arXiv subjects

Rongjie Lai

Publications and source records attributed to Rongjie Lai.

At least 37 records · Page 2Linked to original sources

arXiv2024

Unsupervised Solution Operator Learning for Mean-Field Games via Sampling-Invariant Parametrizations

Recent advances in deep learning has witnessed many innovative frameworks that solve high dimensional mean-field games (MFG) accurately and efficiently. These methods, however, are restricted to solving single-instance MFG and demands extensive computational time per instance, limiting practicality. To overcome this, we develop a novel framework to learn the MFG solution operator. Our model takes a MFG instances as input and output their solutions with one forward pass. To ensure the proposed parametrization is well-suited for operator learning, we introduce and prove the notion of sampling invariance for our model, establishing its convergence to a continuous operator in the sampling limit. Our method features two key advantages. First, it is discretization-free, making it particularly suitable for learning operators of high-dimensional MFGs. Secondly, it can be trained without the need for access to supervised labels, significantly reducing the computational overhead associated with creating training datasets in existing operator learning methods. We test our framework on synthetic and realistic datasets with varying complexity and dimensionality to substantiate its robustness.

cs.LG↗

arXiv2024

Emulating Complex Synapses Using Interlinked Proton Conductors

In terms of energy efficiency and computational speed, neuromorphic electronics based on non-volatile memory devices is expected to be one of most promising hardware candidates for future artificial intelligence (AI). However, catastrophic forgetting, networks rapidly overwriting previously learned weights when learning new tasks, remains as a pivotal hurdle in either digital or analog AI chips for unleashing the true power of brain-like computing. To address catastrophic forgetting in the context of online memory storage, a complex synapse model (the Benna-Fusi model) has been proposed recently[1], whose synaptic weight and internal variables evolve following a diffusion dynamics. In this work, by designing a proton transistor with a series of charge-diffusion-controlled storage components, we have experimentally realized the Benna-Fusi artificial complex synapse. The memory consolidation from coupled storage components is revealed by both numerical simulations and experimental observations. Different memory timescales for the complex synapse are engineered by the diffusion length of charge carriers, the capacity and number of coupled storage components. The advantage of the demonstrated complex synapse in both memory capacity and memory consolidation is revealed by neural network simulations of face familiarity detection. Our experimental realization of the complex synapse suggests a promising approach to enhance memory capacity and to enable continual learning.

cs.NE↗

arXiv2024

Generalization Error Guaranteed Auto-Encoder-Based Nonlinear Model Reduction for Operator Learning

Many physical processes in science and engineering are naturally represented by operators between infinite-dimensional function spaces. The problem of operator learning, in this context, seeks to extract these physical processes from empirical data, which is challenging due to the infinite or high dimensionality of data. An integral component in addressing this challenge is model reduction, which reduces both the data dimensionality and problem size. In this paper, we utilize low-dimensional nonlinear structures in model reduction by investigating Auto-Encoder-based Neural Network (AENet). AENet first learns the latent variables of the input data and then learns the transformation from these latent variables to corresponding output data. Our numerical experiments validate the ability of AENet to accurately learn the solution operator of nonlinear partial differential equations. Furthermore, we establish a mathematical and statistical estimation theory that analyzes the generalization error of AENet. Our theoretical framework shows that the sample complexity of training AENet is intricately tied to the intrinsic dimension of the modeled process, while also demonstrating the remarkable resilience of AENet to noise.

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arXiv2024

A Bilevel Optimization Method for Inverse Mean-Field Games

In this paper, we introduce a bilevel optimization framework for addressing inverse mean-field games, alongside an exploration of numerical methods tailored for this bilevel problem. The primary benefit of our bilevel formulation lies in maintaining the convexity of the objective function and the linearity of constraints in the forward problem. Our paper focuses on inverse mean-field games characterized by unknown obstacles and metrics. We show numerical stability for these two types of inverse problems. More importantly, we, for the first time, establish the identifiability of the inverse mean-field game with unknown obstacles via the solution of the resultant bilevel problem. The bilevel approach enables us to employ an alternating gradient-based optimization algorithm with a provable convergence guarantee. To validate the effectiveness of our methods in solving the inverse problems, we have designed comprehensive numerical experiments, providing empirical evidence of its efficacy.

math.OC↗

arXiv2023

Deep Nonparametric Estimation of Intrinsic Data Structures by Chart Autoencoders: Generalization Error and Robustness

Autoencoders have demonstrated remarkable success in learning low-dimensional latent features of high-dimensional data across various applications. Assuming that data are sampled near a low-dimensional manifold, we employ chart autoencoders, which encode data into low-dimensional latent features on a collection of charts, preserving the topology and geometry of the data manifold. Our paper establishes statistical guarantees on the generalization error of chart autoencoders, and we demonstrate their denoising capabilities by considering $n$ noisy training samples, along with their noise-free counterparts, on a $d$-dimensional manifold. By training autoencoders, we show that chart autoencoders can effectively denoise the input data with normal noise. We prove that, under proper network architectures, chart autoencoders achieve a squared generalization error in the order of $\displaystyle n^{-\frac{2}{d+2}}\log^4 n$, which depends on the intrinsic dimension of the manifold and only weakly depends on the ambient dimension and noise level. We further extend our theory on data with noise containing both normal and tangential components, where chart autoencoders still exhibit a denoising effect for the normal component. As a special case, our theory also applies to classical autoencoders, as long as the data manifold has a global parametrization. Our results provide a solid theoretical foundation for the effectiveness of autoencoders, which is further validated through several numerical experiments.

stat.ML↗

arXiv2023

On Expressivity and Trainability of Quadratic Networks

Inspired by the diversity of biological neurons, quadratic artificial neurons can play an important role in deep learning models. The type of quadratic neurons of our interest replaces the inner-product operation in the conventional neuron with a quadratic function. Despite promising results so far achieved by networks of quadratic neurons, there are important issues not well addressed. Theoretically, the superior expressivity of a quadratic network over either a conventional network or a conventional network via quadratic activation is not fully elucidated, which makes the use of quadratic networks not well grounded. Practically, although a quadratic network can be trained via generic backpropagation, it can be subject to a higher risk of collapse than the conventional counterpart. To address these issues, we first apply the spline theory and a measure from algebraic geometry to give two theorems that demonstrate better model expressivity of a quadratic network than the conventional counterpart with or without quadratic activation. Then, we propose an effective training strategy referred to as ReLinear to stabilize the training process of a quadratic network, thereby unleashing the full potential in its associated machine learning tasks. Comprehensive experiments on popular datasets are performed to support our findings and confirm the performance of quadratic deep learning. We have shared our code in \url{https://github.com/FengleiFan/ReLinear}.

cs.LG↗

arXiv2022

Bridging Mean-Field Games and Normalizing Flows with Trajectory Regularization

Mean-field games (MFGs) are a modeling framework for systems with a large number of interacting agents. They have applications in economics, finance, and game theory. Normalizing flows (NFs) are a family of deep generative models that compute data likelihoods by using an invertible mapping, which is typically parameterized by using neural networks. They are useful for density modeling and data generation. While active research has been conducted on both models, few noted the relationship between the two. In this work, we unravel the connections between MFGs and NFs by contextualizing the training of an NF as solving the MFG. This is achieved by reformulating the MFG problem in terms of agent trajectories and parameterizing a discretization of the resulting MFG with flow architectures. With this connection, we explore two research directions. First, we employ expressive NF architectures to accurately solve high-dimensional MFGs, sidestepping the curse of dimensionality in traditional numerical methods. Compared with other deep learning approaches, our trajectory-based formulation encodes the continuity equation in the neural network, resulting in a better approximation of the population dynamics. Second, we regularize the training of NFs with transport costs and show the effectiveness on controlling the model's Lipschitz bound, resulting in better generalization performance. We demonstrate numerical results through comprehensive experiments on a variety of synthetic and real-life datasets.

math.OC↗

arXiv2022

Computational Mean-field Games on Manifolds

Conventional Mean-field games/control study the behavior of a large number of rational agents moving in the Euclidean spaces. In this work, we explore the mean-field games on Riemannian manifolds. We formulate the mean-field game Nash Equilibrium on manifolds. We also establish the equivalence between the PDE system and the optimality conditions of the associated variational form on manifolds. Based on the triangular mesh representation of two-dimensional manifolds, we design a proximal gradient method for variational mean-field games. Our comprehensive numerical experiments on various manifolds illustrate the effectiveness and flexibility of the proposed model and numerical methods.

math.OC↗

arXiv2022

Quasi-Equivalence of Width and Depth of Neural Networks

While classic studies proved that wide networks allow universal approximation, recent research and successes of deep learning demonstrate the power of deep networks. Based on a symmetric consideration, we investigate if the design of artificial neural networks should have a directional preference, and what the mechanism of interaction is between the width and depth of a network. Inspired by the De Morgan law, we address this fundamental question by establishing a quasi-equivalence between the width and depth of ReLU networks in two aspects. First, we formulate two transforms for mapping an arbitrary ReLU network to a wide network and a deep network respectively for either regression or classification so that the essentially same capability of the original network can be implemented. Then, we replace the mainstream artificial neuron type with a quadratic counterpart, and utilize the factorization and continued fraction representations of the same polynomial function to construct a wide network and a deep network, respectively. Based on our findings, a deep network has a wide equivalent, and vice versa, subject to an arbitrarily small error.

cs.LG↗

arXiv2022

Learning Geometrically Disentangled Representations of Protein Folding Simulations

Massive molecular simulations of drug-target proteins have been used as a tool to understand disease mechanism and develop therapeutics. This work focuses on learning a generative neural network on a structural ensemble of a drug-target protein, e.g. SARS-CoV-2 Spike protein, obtained from computationally expensive molecular simulations. Model tasks involve characterizing the distinct structural fluctuations of the protein bound to various drug molecules, as well as efficient generation of protein conformations that can serve as an complement of a molecular simulation engine. Specifically, we present a geometric autoencoder framework to learn separate latent space encodings of the intrinsic and extrinsic geometries of the protein structure. For this purpose, the proposed Protein Geometric AutoEncoder (ProGAE) model is trained on the protein contact map and the orientation of the backbone bonds of the protein. Using ProGAE latent embeddings, we reconstruct and generate the conformational ensemble of a protein at or near the experimental resolution, while gaining better interpretability and controllability in term of protein structure generation from the learned latent space. Additionally, ProGAE models are transferable to a different state of the same protein or to a new protein of different size, where only the dense layer decoding from the latent representation needs to be retrained. Results show that our geometric learning-based method enjoys both accuracy and efficiency for generating complex structural variations, charting the path toward scalable and improved approaches for analyzing and enhancing high-cost simulations of drug-target proteins.

cs.LG↗

arXiv2022

Manifoldron: Direct Space Partition via Manifold Discovery

A neural network with the widely-used ReLU activation has been shown to partition the sample space into many convex polytopes for prediction. However, the parameterized way a neural network and other machine learning models use to partition the space has imperfections, \textit{e}.\textit{g}., the compromised interpretability for complex models, the inflexibility in decision boundary construction due to the generic character of the model, and the risk of being trapped into shortcut solutions. In contrast, although the non-parameterized models can adorably avoid or downplay these issues, they are usually insufficiently powerful either due to over-simplification or the failure to accommodate the manifold structures of data. In this context, we first propose a new type of machine learning models referred to as Manifoldron that directly derives decision boundaries from data and partitions the space via manifold structure discovery. Then, we systematically analyze the key characteristics of the Manifoldron such as manifold characterization capability and its link to neural networks. The experimental results on 4 synthetic examples, 20 public benchmark datasets, and 1 real-world application demonstrate that the proposed Manifoldron performs competitively compared to the mainstream machine learning models. We have shared our code in \url{https://github.com/wdayang/Manifoldron} for free download and evaluation.

cs.LG↗

arXiv2021

A Fast Proximal Gradient Method and Convergence Analysis for Dynamic Mean Field Planning

In this paper, we propose an efficient and flexible algorithm to solve dynamic mean-field planning problems based on an accelerated proximal gradient method. Besides an easy-to-implement gradient descent step in this algorithm, a crucial projection step becomes solving an elliptic equation whose solution can be obtained by conventional methods efficiently. By induction on iterations used in the algorithm, we theoretically show that the proposed discrete solution converges to the underlying continuous solution as the grid size increases. Furthermore, we generalize our algorithm to mean-field game problems and accelerate it using multilevel and multigrid strategies. We conduct comprehensive numerical experiments to confirm the convergence analysis of the proposed algorithm, to show its efficiency and mass preservation property by comparing it with state-of-the-art methods, and to illustrates its flexibility for handling various mean-field variational problems.

math.OC↗

arXiv2021

NPTC-net: Narrow-Band Parallel Transport Convolutional Neural Network on Point Clouds

Convolution plays a crucial role in various applications in signal and image processing, analysis, and recognition. It is also the main building block of convolution neural networks (CNNs). Designing appropriate convolution neural networks on manifold-structured point clouds can inherit and empower recent advances of CNNs to analyzing and processing point cloud data. However, one of the major challenges is to define a proper way to "sweep" filters through the point cloud as a natural generalization of the planar convolution and to reflect the point cloud's geometry at the same time. In this paper, we consider generalizing convolution by adapting parallel transport on the point cloud. Inspired by a triangulated surface-based method [Stefan C. Schonsheck, Bin Dong, and Rongjie Lai, arXiv:1805.07857.], we propose the Narrow-Band Parallel Transport Convolution (NPTC) using a specifically defined connection on a voxel-based narrow-band approximation of point cloud data. With that, we further propose a deep convolutional neural network based on NPTC (called NPTC-net) for point cloud classification and segmentation. Comprehensive experiments show that the proposed NPTC-net achieves similar or better results than current state-of-the-art methods on point cloud classification and segmentation.

cs.CV↗

arXiv2020

Unsupervised Geometric Disentanglement for Surfaces via CFAN-VAE

Geometric disentanglement, the separation of latent codes for intrinsic (i.e. identity) and extrinsic(i.e. pose) geometry, is a prominent task for generative models of non-Euclidean data such as 3D deformable models. It provides greater interpretability of the latent space, and leads to more control in generation. This work introduces a mesh feature, the conformal factor and normal feature (CFAN),for use in mesh convolutional autoencoders. We further propose CFAN-VAE, a novel architecture that disentangles identity and pose using the CFAN feature. Requiring no label information on the identity or pose during training, CFAN-VAE achieves geometric disentanglement in an unsupervisedway. Our comprehensive experiments, including reconstruction, interpolation, generation, and identity/pose transfer, demonstrate CFAN-VAE achieves state-of-the-art performance on unsupervised geometric disentanglement. We also successfully detect a level of geometric disentanglement in mesh convolutional autoencoders that encode xyz-coordinates directly by registering its latent space to that of CFAN-VAE.

cs.CV↗

arXiv2020

A Dual Iterative Refinement Method for Non-rigid Shape Matching

In this work, a simple and efficient dual iterative refinement (DIR) method is proposed for dense correspondence between two nearly isometric shapes. The key idea is to use dual information, such as spatial and spectral, or local and global features, in a complementary and effective way, and extract more accurate information from current iteration to use for the next iteration. In each DIR iteration, starting from current correspondence, a zoom-in process at each point is used to select well matched anchor pairs by a local mapping distortion criterion. These selected anchor pairs are then used to align spectral features (or other appropriate global features) whose dimension adaptively matches the capacity of the selected anchor pairs. Thanks to the effective combination of complementary information in a data-adaptive way, DIR is not only efficient but also robust to render accurate results within a few iterations. By choosing appropriate dual features, DIR has the flexibility to handle patch and partial matching as well. Extensive experiments on various data sets demonstrate the superiority of DIR over other state-of-the-art methods in terms of both accuracy and efficiency.

cs.CV↗

arXiv2020

Optimizing Mode Connectivity via Neuron Alignment

The loss landscapes of deep neural networks are not well understood due to their high nonconvexity. Empirically, the local minima of these loss functions can be connected by a learned curve in model space, along which the loss remains nearly constant; a feature known as mode connectivity. Yet, current curve finding algorithms do not consider the influence of symmetry in the loss surface created by model weight permutations. We propose a more general framework to investigate the effect of symmetry on landscape connectivity by accounting for the weight permutations of the networks being connected. To approximate the optimal permutation, we introduce an inexpensive heuristic referred to as neuron alignment. Neuron alignment promotes similarity between the distribution of intermediate activations of models along the curve. We provide theoretical analysis establishing the benefit of alignment to mode connectivity based on this simple heuristic. We empirically verify that the permutation given by alignment is locally optimal via a proximal alternating minimization scheme. Empirically, optimizing the weight permutation is critical for efficiently learning a simple, planar, low-loss curve between networks that successfully generalizes. Our alignment method can significantly alleviate the recently identified robust loss barrier on the path connecting two adversarial robust models and find more robust and accurate models on the path.

cs.LG↗

arXiv2020

Chart Auto-Encoders for Manifold Structured Data

Deep generative models have made tremendous advances in image and signal representation learning and generation. These models employ the full Euclidean space or a bounded subset as the latent space, whose flat geometry, however, is often too simplistic to meaningfully reflect the manifold structure of the data. In this work, we advocate the use of a multi-chart latent space for better data representation. Inspired by differential geometry, we propose a \textbf{Chart Auto-Encoder (CAE)} and prove a universal approximation theorem on its representation capability. We show that the training data size and the network size scale exponentially in approximation error with an exponent depending on the intrinsic dimension of the data manifold. CAE admits desirable manifold properties that auto-encoders with a flat latent space fail to obey, predominantly proximity of data. We conduct extensive experimentation with synthetic and real-life examples to demonstrate that CAE provides reconstruction with high fidelity, preserves proximity in the latent space, and generates new data remaining near the manifold. These experiments show that CAE is advantageous over existing auto-encoders and variants by preserving the topology of the data manifold as well as its geometry.

cs.LG↗

arXiv2020

Efficient and Robust Shape Correspondence via Sparsity-Enforced Quadratic Assignment

In this work, we introduce a novel local pairwise descriptor and then develop a simple, effective iterative method to solve the resulting quadratic assignment through sparsity control for shape correspondence between two approximate isometric surfaces. Our pairwise descriptor is based on the stiffness and mass matrix of finite element approximation of the Laplace-Beltrami differential operator, which is local in space, sparse to represent, and extremely easy to compute while containing global information. It allows us to deal with open surfaces, partial matching, and topological perturbations robustly. To solve the resulting quadratic assignment problem efficiently, the two key ideas of our iterative algorithm are: 1) select pairs with good (approximate) correspondence as anchor points, 2) solve a regularized quadratic assignment problem only in the neighborhood of selected anchor points through sparsity control. These two ingredients can improve and increase the number of anchor points quickly while reducing the computation cost in each quadratic assignment iteration significantly. With enough high-quality anchor points, one may use various pointwise global features with reference to these anchor points to further improve the dense shape correspondence. We use various experiments to show the efficiency, quality, and versatility of our method on large data sets, patches, and point clouds (without global meshes).

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