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Bohan Wang

Publications and source records attributed to Bohan Wang.

At least 55 records · Page 3Linked to original sources

Fast Conditional Mixing of MCMC Algorithms for Non-log-concave Distributions

MCMC algorithms offer empirically efficient tools for sampling from a target distribution $π(x) \propto \exp(-V(x))$. However, on the theory side, MCMC algorithms suffer from slow mixing rate when $π(x)$ is non-log-concave. Our work examines this gap and shows that when Poincaré-style inequality holds on a subset $\mathcal{X}$ of the state space, the conditional distribution of MCMC iterates over $\mathcal{X}$ mixes fast to the true conditional distribution. This fast mixing guarantee can hold in cases when global mixing is provably slow. We formalize the statement and quantify the conditional mixing rate. We further show that conditional mixing can have interesting implications for sampling from mixtures of Gaussians, parameter estimation for Gaussian mixture models and Gibbs-sampling with well-connected local minima.

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On the Trade-off of Intra-/Inter-class Diversity for Supervised Pre-training

Pre-training datasets are critical for building state-of-the-art machine learning models, motivating rigorous study on their impact on downstream tasks. In this work, we study the impact of the trade-off between the intra-class diversity (the number of samples per class) and the inter-class diversity (the number of classes) of a supervised pre-training dataset. Empirically, we found that with the size of the pre-training dataset fixed, the best downstream performance comes with a balance on the intra-/inter-class diversity. To understand the underlying mechanism, we show theoretically that the downstream performance depends monotonically on both types of diversity. Notably, our theory reveals that the optimal class-to-sample ratio (#classes / #samples per class) is invariant to the size of the pre-training dataset, which motivates an application of predicting the optimal number of pre-training classes. We demonstrate the effectiveness of this application by an improvement of around 2 points on the downstream tasks when using ImageNet as the pre-training dataset.

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Closing the Gap Between the Upper Bound and the Lower Bound of Adam's Iteration Complexity

Recently, Arjevani et al. [1] established a lower bound of iteration complexity for the first-order optimization under an $L$-smooth condition and a bounded noise variance assumption. However, a thorough review of existing literature on Adam's convergence reveals a noticeable gap: none of them meet the above lower bound. In this paper, we close the gap by deriving a new convergence guarantee of Adam, with only an $L$-smooth condition and a bounded noise variance assumption. Our results remain valid across a broad spectrum of hyperparameters. Especially with properly chosen hyperparameters, we derive an upper bound of the iteration complexity of Adam and show that it meets the lower bound for first-order optimizers. To the best of our knowledge, this is the first to establish such a tight upper bound for Adam's convergence. Our proof utilizes novel techniques to handle the entanglement between momentum and adaptive learning rate and to convert the first-order term in the Descent Lemma to the gradient norm, which may be of independent interest.

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Convergence of AdaGrad for Non-convex Objectives: Simple Proofs and Relaxed Assumptions

We provide a simple convergence proof for AdaGrad optimizing non-convex objectives under only affine noise variance and bounded smoothness assumptions. The proof is essentially based on a novel auxiliary function $ξ$ that helps eliminate the complexity of handling the correlation between the numerator and denominator of AdaGrad's update. Leveraging simple proofs, we are able to obtain tighter results than existing results \citep{faw2022power} and extend the analysis to several new and important cases. Specifically, for the over-parameterized regime, we show that AdaGrad needs only $\mathcal{O}(\frac{1}{\varepsilon^2})$ iterations to ensure the gradient norm smaller than $\varepsilon$, which matches the rate of SGD and significantly tighter than existing rates $\mathcal{O}(\frac{1}{\varepsilon^4})$ for AdaGrad. We then discard the bounded smoothness assumption and consider a realistic assumption on smoothness called $(L_0,L_1)$-smooth condition, which allows local smoothness to grow with the gradient norm. Again based on the auxiliary function $ξ$, we prove that AdaGrad succeeds in converging under $(L_0,L_1)$-smooth condition as long as the learning rate is lower than a threshold. Interestingly, we further show that the requirement on learning rate under the $(L_0,L_1)$-smooth condition is necessary via proof by contradiction, in contrast with the case of uniform smoothness conditions where convergence is guaranteed regardless of learning rate choices. Together, our analyses broaden the understanding of AdaGrad and demonstrate the power of the new auxiliary function in the investigations of AdaGrad.

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How Can Large Language Models Help Humans in Design and Manufacturing?

The advancement of Large Language Models (LLMs), including GPT-4, provides exciting new opportunities for generative design. We investigate the application of this tool across the entire design and manufacturing workflow. Specifically, we scrutinize the utility of LLMs in tasks such as: converting a text-based prompt into a design specification, transforming a design into manufacturing instructions, producing a design space and design variations, computing the performance of a design, and searching for designs predicated on performance. Through a series of examples, we highlight both the benefits and the limitations of the current LLMs. By exposing these limitations, we aspire to catalyze the continued improvement and progression of these models.

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When and Why Momentum Accelerates SGD:An Empirical Study

Momentum has become a crucial component in deep learning optimizers, necessitating a comprehensive understanding of when and why it accelerates stochastic gradient descent (SGD). To address the question of ''when'', we establish a meaningful comparison framework that examines the performance of SGD with Momentum (SGDM) under the \emph{effective learning rates} $η_{ef}$, a notion unifying the influence of momentum coefficient $μ$ and batch size $b$ over learning rate $η$. In the comparison of SGDM and SGD with the same effective learning rate and the same batch size, we observe a consistent pattern: when $η_{ef}$ is small, SGDM and SGD experience almost the same empirical training losses; when $η_{ef}$ surpasses a certain threshold, SGDM begins to perform better than SGD. Furthermore, we observe that the advantage of SGDM over SGD becomes more pronounced with a larger batch size. For the question of ``why'', we find that the momentum acceleration is closely related to \emph{abrupt sharpening} which is to describe a sudden jump of the directional Hessian along the update direction. Specifically, the misalignment between SGD and SGDM happens at the same moment that SGD experiences abrupt sharpening and converges slower. Momentum improves the performance of SGDM by preventing or deferring the occurrence of abrupt sharpening. Together, this study unveils the interplay between momentum, learning rates, and batch sizes, thus improving our understanding of momentum acceleration.

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ALO-VC: Any-to-any Low-latency One-shot Voice Conversion

This paper presents ALO-VC, a non-parallel low-latency one-shot phonetic posteriorgrams (PPGs) based voice conversion method. ALO-VC enables any-to-any voice conversion using only one utterance from the target speaker, with only 47.5 ms future look-ahead. The proposed hybrid signal processing and machine learning pipeline combines a pre-trained speaker encoder, a pitch predictor to predict the converted speech's prosody, and positional encoding to convey the phoneme's location information. We introduce two system versions: ALO-VC-R, which uses a pre-trained d-vector speaker encoder, and ALO-VC-E, which improves performance using the ECAPA-TDNN speaker encoder. The experimental results demonstrate both ALO-VC-R and ALO-VC-E can achieve comparable performance to non-causal baseline systems on the VCTK dataset and two out-of-domain datasets. Furthermore, both proposed systems can be deployed on a single CPU core with 55 ms latency and 0.78 real-time factor. Our demo is available online.

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DiGress: Discrete Denoising diffusion for graph generation

This work introduces DiGress, a discrete denoising diffusion model for generating graphs with categorical node and edge attributes. Our model utilizes a discrete diffusion process that progressively edits graphs with noise, through the process of adding or removing edges and changing the categories. A graph transformer network is trained to revert this process, simplifying the problem of distribution learning over graphs into a sequence of node and edge classification tasks. We further improve sample quality by introducing a Markovian noise model that preserves the marginal distribution of node and edge types during diffusion, and by incorporating auxiliary graph-theoretic features. A procedure for conditioning the generation on graph-level features is also proposed. DiGress achieves state-of-the-art performance on molecular and non-molecular datasets, with up to 3x validity improvement on a planar graph dataset. It is also the first model to scale to the large GuacaMol dataset containing 1.3M drug-like molecules without the use of molecule-specific representations.

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InfraDet3D: Multi-Modal 3D Object Detection based on Roadside Infrastructure Camera and LiDAR Sensors

Current multi-modal object detection approaches focus on the vehicle domain and are limited in the perception range and the processing capabilities. Roadside sensor units (RSUs) introduce a new domain for perception systems and leverage altitude to observe traffic. Cameras and LiDARs mounted on gantry bridges increase the perception range and produce a full digital twin of the traffic. In this work, we introduce InfraDet3D, a multi-modal 3D object detector for roadside infrastructure sensors. We fuse two LiDARs using early fusion and further incorporate detections from monocular cameras to increase the robustness and to detect small objects. Our monocular 3D detection module uses HD maps to ground object yaw hypotheses, improving the final perception results. The perception framework is deployed on a real-world intersection that is part of the A9 Test Stretch in Munich, Germany. We perform several ablation studies and experiments and show that fusing two LiDARs with two cameras leads to an improvement of +1.90 mAP compared to a camera-only solution. We evaluate our results on the A9 infrastructure dataset and achieve 68.48 mAP on the test set. The dataset and code will be available at https://a9-dataset.com to allow the research community to further improve the perception results and make autonomous driving safer.

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Regularization of polynomial networks for image recognition

Deep Neural Networks (DNNs) have obtained impressive performance across tasks, however they still remain as black boxes, e.g., hard to theoretically analyze. At the same time, Polynomial Networks (PNs) have emerged as an alternative method with a promising performance and improved interpretability but have yet to reach the performance of the powerful DNN baselines. In this work, we aim to close this performance gap. We introduce a class of PNs, which are able to reach the performance of ResNet across a range of six benchmarks. We demonstrate that strong regularization is critical and conduct an extensive study of the exact regularization schemes required to match performance. To further motivate the regularization schemes, we introduce D-PolyNets that achieve a higher-degree of expansion than previously proposed polynomial networks. D-PolyNets are more parameter-efficient while achieving a similar performance as other polynomial networks. We expect that our new models can lead to an understanding of the role of elementwise activation functions (which are no longer required for training PNs). The source code is available at https://github.com/grigorisg9gr/regularized_polynomials.

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A Rotation-Strain Method to Model Surfaces using Plasticity

Modeling arbitrarily large deformations of surfaces smoothly embedded in three-dimensional space is challenging. The difficulties come from two aspects: the existing geometry processing or forward simulation methods penalize the difference between the current status and the rest configuration to maintain the initial shape, which will lead to sharp spikes or wiggles for large deformations; the co-dimensional nature of the problem makes it more complicated because the deformed surface has to locally satisfy compatibility conditions on fundamental forms to guarantee a feasible solution exists. To address these two challenges, we propose a rotation-strain method to modify the fundamental forms in a compatible way, and model the large deformation of surface meshes smoothly using plasticity. The user prescribes the positions of a few vertices, and our method finds a smooth strain and rotation field under which the surface meets the target positions. We demonstrate several examples whereby triangle meshes are smoothly deformed to large strains while meeting user constraints.

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Does Momentum Change the Implicit Regularization on Separable Data?

The momentum acceleration technique is widely adopted in many optimization algorithms. However, there is no theoretical answer on how the momentum affects the generalization performance of the optimization algorithms. This paper studies this problem by analyzing the implicit regularization of momentum-based optimization. We prove that on the linear classification problem with separable data and exponential-tailed loss, gradient descent with momentum (GDM) converges to the L2 max-margin solution, which is the same as vanilla gradient descent. That means gradient descent with momentum acceleration still converges to a low-complexity model, which guarantees their generalization. We then analyze the stochastic and adaptive variants of GDM (i.e., SGDM and deterministic Adam) and show they also converge to the L2 max-margin solution. Technically, to overcome the difficulty of the error accumulation in analyzing the momentum, we construct new potential functions to analyze the gap between the model parameter and the max-margin solution. Numerical experiments are conducted and support our theoretical results.

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Creating Training Sets via Weak Indirect Supervision

Creating labeled training sets has become one of the major roadblocks in machine learning. To address this, recent \emph{Weak Supervision (WS)} frameworks synthesize training labels from multiple potentially noisy supervision sources. However, existing frameworks are restricted to supervision sources that share the same output space as the target task. To extend the scope of usable sources, we formulate Weak Indirect Supervision (WIS), a new research problem for automatically synthesizing training labels based on indirect supervision sources that have different output label spaces. To overcome the challenge of mismatched output spaces, we develop a probabilistic modeling approach, PLRM, which uses user-provided label relations to model and leverage indirect supervision sources. Moreover, we provide a theoretically-principled test of the distinguishability of PLRM for unseen labels, along with a generalization bound. On both image and text classification tasks as well as an industrial advertising application, we demonstrate the advantages of PLRM by outperforming baselines by a margin of 2%-9%.

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The Implicit Bias for Adaptive Optimization Algorithms on Homogeneous Neural Networks

Despite their overwhelming capacity to overfit, deep neural networks trained by specific optimization algorithms tend to generalize well to unseen data. Recently, researchers explained it by investigating the implicit regularization effect of optimization algorithms. A remarkable progress is the work (Lyu&Li, 2019), which proves gradient descent (GD) maximizes the margin of homogeneous deep neural networks. Except GD, adaptive algorithms such as AdaGrad, RMSProp and Adam are popular owing to their rapid training process. However, theoretical guarantee for the generalization of adaptive optimization algorithms is still lacking. In this paper, we study the implicit regularization of adaptive optimization algorithms when they are optimizing the logistic loss on homogeneous deep neural networks. We prove that adaptive algorithms that adopt exponential moving average strategy in conditioner (such as Adam and RMSProp) can maximize the margin of the neural network, while AdaGrad that directly sums historical squared gradients in conditioner can not. It indicates superiority on generalization of exponential moving average strategy in the design of the conditioner. Technically, we provide a unified framework to analyze convergent direction of adaptive optimization algorithms by constructing novel adaptive gradient flow and surrogate margin. Our experiments can well support the theoretical findings on convergent direction of adaptive optimization algorithms.

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Optimizing Information-theoretical Generalization Bounds via Anisotropic Noise in SGLD

Recently, the information-theoretical framework has been proven to be able to obtain non-vacuous generalization bounds for large models trained by Stochastic Gradient Langevin Dynamics (SGLD) with isotropic noise. In this paper, we optimize the information-theoretical generalization bound by manipulating the noise structure in SGLD. We prove that with constraint to guarantee low empirical risk, the optimal noise covariance is the square root of the expected gradient covariance if both the prior and the posterior are jointly optimized. This validates that the optimal noise is quite close to the empirical gradient covariance. Technically, we develop a new information-theoretical bound that enables such an optimization analysis. We then apply matrix analysis to derive the form of optimal noise covariance. Presented constraint and results are validated by the empirical observations.

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Machine-Learning Non-Conservative Dynamics for New-Physics Detection

Energy conservation is a basic physics principle, the breakdown of which often implies new physics. This paper presents a method for data-driven "new physics" discovery. Specifically, given a trajectory governed by unknown forces, our Neural New-Physics Detector (NNPhD) aims to detect new physics by decomposing the force field into conservative and non-conservative components, which are represented by a Lagrangian Neural Network (LNN) and a universal approximator network (UAN), respectively, trained to minimize the force recovery error plus a constant $λ$ times the magnitude of the predicted non-conservative force. We show that a phase transition occurs at $λ$=1, universally for arbitrary forces. We demonstrate that NNPhD successfully discovers new physics in toy numerical experiments, rediscovering friction (1493) from a damped double pendulum, Neptune from Uranus' orbit (1846) and gravitational waves (2017) from an inspiraling orbit. We also show how NNPhD coupled with an integrator outperforms previous methods for predicting the future of a damped double pendulum.

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End-to-End Human Object Interaction Detection with HOI Transformer

We propose HOI Transformer to tackle human object interaction (HOI) detection in an end-to-end manner. Current approaches either decouple HOI task into separated stages of object detection and interaction classification or introduce surrogate interaction problem. In contrast, our method, named HOI Transformer, streamlines the HOI pipeline by eliminating the need for many hand-designed components. HOI Transformer reasons about the relations of objects and humans from global image context and directly predicts HOI instances in parallel. A quintuple matching loss is introduced to force HOI predictions in a unified way. Our method is conceptually much simpler and demonstrates improved accuracy. Without bells and whistles, HOI Transformer achieves $26.61\% $ $ AP $ on HICO-DET and $52.9\%$ $AP_{role}$ on V-COCO, surpassing previous methods with the advantage of being much simpler. We hope our approach will serve as a simple and effective alternative for HOI tasks. Code is available at https://github.com/bbepoch/HoiTransformer .

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Robustness, Privacy, and Generalization of Adversarial Training

Adversarial training can considerably robustify deep neural networks to resist adversarial attacks. However, some works suggested that adversarial training might comprise the privacy-preserving and generalization abilities. This paper establishes and quantifies the privacy-robustness trade-off and generalization-robustness trade-off in adversarial training from both theoretical and empirical aspects. We first define a notion, {\it robustified intensity} to measure the robustness of an adversarial training algorithm. This measure can be approximate empirically by an asymptotically consistent empirical estimator, {\it empirical robustified intensity}. Based on the robustified intensity, we prove that (1) adversarial training is $(\varepsilon, δ)$-differentially private, where the magnitude of the differential privacy has a positive correlation with the robustified intensity; and (2) the generalization error of adversarial training can be upper bounded by an $\mathcal O(\sqrt{\log N}/N)$ on-average bound and an $\mathcal O(1/\sqrt{N})$ high-probability bound, both of which have positive correlations with the robustified intensity. Additionally, our generalization bounds do not explicitly rely on the parameter size which would be prohibitively large in deep learning. Systematic experiments on standard datasets, CIFAR-10 and CIFAR-100, are in full agreement with our theories. The source code package is available at \url{https://github.com/fshp971/RPG}.

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