Second-order optimization algorithms exhibit excellent convergence properties for training deep learning models, but often incur significant computation and memory overheads. This can result in lower training efficiency than the first-order counterparts such as stochastic gradient descent (SGD). In this work, we present a memory- and time-efficient second-order algorithm named Eva with two novel techniques: 1) we construct the second-order information with the Kronecker factorization of small stochastic vectors over a mini-batch of training data to reduce memory consumption, and 2) we derive an efficient update formula without explicitly computing the inverse of matrices using the Sherman-Morrison formula. We further extend Eva to a general vectorized approximation framework to improve the compute and memory efficiency of two existing second-order algorithms (FOOF and Shampoo) without affecting their convergence performance. Extensive experimental results on different models and datasets show that Eva reduces the end-to-end training time up to 2.05x and 2.42x compared to first-order SGD and second-order algorithms (K-FAC and Shampoo), respectively.
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The growth of Graph Convolution Network (GCN) model sizes has revolutionized numerous applications, surpassing human performance in areas such as personal healthcare and financial systems. The deployment of GCNs in the cloud raises privacy concerns due to potential adversarial attacks on client data. To address security concerns, Privacy-Preserving Machine Learning (PPML) using Homomorphic Encryption (HE) secures sensitive client data. However, it introduces substantial computational overhead in practical applications. To tackle those challenges, we present LinGCN, a framework designed to reduce multiplication depth and optimize the performance of HE based GCN inference. LinGCN is structured around three key elements: (1) A differentiable structural linearization algorithm, complemented by a parameterized discrete indicator function, co-trained with model weights to meet the optimization goal. This strategy promotes fine-grained node-level non-linear location selection, resulting in a model with minimized multiplication depth. (2) A compact node-wise polynomial replacement policy with a second-order trainable activation function, steered towards superior convergence by a two-level distillation approach from an all-ReLU based teacher model. (3) an enhanced HE solution that enables finer-grained operator fusion for node-wise activation functions, further reducing multiplication level consumption in HE-based inference. Our experiments on the NTU-XVIEW skeleton joint dataset reveal that LinGCN excels in latency, accuracy, and scalability for homomorphically encrypted inference, outperforming solutions such as CryptoGCN. Remarkably, LinGCN achieves a 14.2x latency speedup relative to CryptoGCN, while preserving an inference accuracy of 75% and notably reducing multiplication depth.
Neural radiance fields (NeRFs) enable high-quality novel view synthesis, but their prohibitively high computational complexity limits deployability, especially on resource-constrained platforms. To enable practical usage of NeRFs, quality tuning is essential to reduce computational complexity, akin to adjustable graphics settings in video games. However while existing solutions strive for efficiency, they use one-size-fits-all architectures regardless of scene complexity, although the same architecture may be unnecessarily large for simple scenes but insufficient for complex ones. Thus as NeRFs become more widely used for 3D visualization, there is a need to dynamically optimize the neural network component of NeRFs to achieve a balance between computational complexity and specific targets for synthesis quality. Addressing this gap, we introduce NAS-NeRF: a generative neural architecture search strategy uniquely tailored to generate NeRF architectures on a per-scene basis by optimizing the trade-off between complexity and performance, while adhering to constraints on computational budget and minimum synthesis quality. Our experiments on the Blender synthetic dataset show the proposed NAS-NeRF can generate architectures up to 5.74$\times$ smaller, with 4.19$\times$ fewer FLOPs, and 1.93$\times$ faster on a GPU than baseline NeRFs, without suffering a drop in SSIM. Furthermore, we illustrate that NAS-NeRF can also achieve architectures up to 23$\times$ smaller, 22$\times$ fewer FLOPs, and 4.7$\times$ faster than baseline NeRFs with only a 5.3\% average SSIM drop. The source code for our work is also made publicly available at //saeejithnair.github.io/NAS-NeRF.
Knowledge distillation (KD) emerges as a challenging yet promising technique for compressing deep learning models, characterized by the transmission of extensive learning representations from proficient and computationally intensive teacher models to compact student models. However, only a handful of studies have endeavored to compress the models for single image super-resolution (SISR) through KD, with their effects on student model enhancement remaining marginal. In this paper, we put forth an approach from the perspective of efficient data utilization, namely, the Data Upcycling Knowledge Distillation (DUKD) which facilitates the student model by the prior knowledge teacher provided via upcycled in-domain data derived from their inputs. This upcycling process is realized through two efficient image zooming operations and invertible data augmentations which introduce the label consistency regularization to the field of KD for SISR and substantially boosts student model's generalization. The DUKD, due to its versatility, can be applied across a broad spectrum of teacher-student architectures. Comprehensive experiments across diverse benchmarks demonstrate that our proposed DUKD method significantly outperforms previous art, exemplified by an increase of up to 0.5dB in PSNR over baselines methods, and a 67% parameters reduced RCAN model's performance remaining on par with that of the RCAN teacher model.
The theory underlying robust distributed learning algorithms, designed to resist adversarial machines, matches empirical observations when data is homogeneous. Under data heterogeneity however, which is the norm in practical scenarios, established lower bounds on the learning error are essentially vacuous and greatly mismatch empirical observations. This is because the heterogeneity model considered is too restrictive and does not cover basic learning tasks such as least-squares regression. We consider in this paper a more realistic heterogeneity model, namely (G,B)-gradient dissimilarity, and show that it covers a larger class of learning problems than existing theory. Notably, we show that the breakdown point under heterogeneity is lower than the classical fraction 1/2. We also prove a new lower bound on the learning error of any distributed learning algorithm. We derive a matching upper bound for a robust variant of distributed gradient descent, and empirically show that our analysis reduces the gap between theory and practice.
The efficient exploration of chemical space to design molecules with intended properties enables the accelerated discovery of drugs, materials, and catalysts, and is one of the most important outstanding challenges in chemistry. Encouraged by the recent surge in computer power and artificial intelligence development, many algorithms have been developed to tackle this problem. However, despite the emergence of many new approaches in recent years, comparatively little progress has been made in developing realistic benchmarks that reflect the complexity of molecular design for real-world applications. In this work, we develop a set of practical benchmark tasks relying on physical simulation of molecular systems mimicking real-life molecular design problems for materials, drugs, and chemical reactions. Additionally, we demonstrate the utility and ease of use of our new benchmark set by demonstrating how to compare the performance of several well-established families of algorithms. Surprisingly, we find that model performance can strongly depend on the benchmark domain. We believe that our benchmark suite will help move the field towards more realistic molecular design benchmarks, and move the development of inverse molecular design algorithms closer to designing molecules that solve existing problems in both academia and industry alike.
Stochastic Gradient Descent (SGD), a widely used optimization algorithm in deep learning, is often limited to converging to local optima due to the non-convex nature of the problem. Leveraging these local optima to improve model performance remains a challenging task. Given the inherent complexity of neural networks, the simple arithmetic averaging of the obtained local optima models in undesirable results. This paper proposes a {\em soft merging} method that facilitates rapid merging of multiple models, simplifies the merging of specific parts of neural networks, and enhances robustness against malicious models with extreme values. This is achieved by learning gate parameters through a surrogate of the $l_0$ norm using hard concrete distribution without modifying the model weights of the given local optima models. This merging process not only enhances the model performance by converging to a better local optimum, but also minimizes computational costs, offering an efficient and explicit learning process integrated with stochastic gradient descent. Thorough experiments underscore the effectiveness and superior performance of the merged neural networks.
Deep learning has shown great potential for modeling the physical dynamics of complex particle systems such as fluids (in Lagrangian descriptions). Existing approaches, however, require the supervision of consecutive particle properties, including positions and velocities. In this paper, we consider a partially observable scenario known as fluid dynamics grounding, that is, inferring the state transitions and interactions within the fluid particle systems from sequential visual observations of the fluid surface. We propose a differentiable two-stage network named NeuroFluid. Our approach consists of (i) a particle-driven neural renderer, which involves fluid physical properties into the volume rendering function, and (ii) a particle transition model optimized to reduce the differences between the rendered and the observed images. NeuroFluid provides the first solution to unsupervised learning of particle-based fluid dynamics by training these two models jointly. It is shown to reasonably estimate the underlying physics of fluids with different initial shapes, viscosity, and densities. It is a potential alternative approach to understanding complex fluid mechanics, such as turbulence, that are difficult to model using traditional methods of mathematical physics.
There recently has been a surge of interest in developing a new class of deep learning (DL) architectures that integrate an explicit time dimension as a fundamental building block of learning and representation mechanisms. In turn, many recent results show that topological descriptors of the observed data, encoding information on the shape of the dataset in a topological space at different scales, that is, persistent homology of the data, may contain important complementary information, improving both performance and robustness of DL. As convergence of these two emerging ideas, we propose to enhance DL architectures with the most salient time-conditioned topological information of the data and introduce the concept of zigzag persistence into time-aware graph convolutional networks (GCNs). Zigzag persistence provides a systematic and mathematically rigorous framework to track the most important topological features of the observed data that tend to manifest themselves over time. To integrate the extracted time-conditioned topological descriptors into DL, we develop a new topological summary, zigzag persistence image, and derive its theoretical stability guarantees. We validate the new GCNs with a time-aware zigzag topological layer (Z-GCNETs), in application to traffic forecasting and Ethereum blockchain price prediction. Our results indicate that Z-GCNET outperforms 13 state-of-the-art methods on 4 time series datasets.
With the capability of modeling bidirectional contexts, denoising autoencoding based pretraining like BERT achieves better performance than pretraining approaches based on autoregressive language modeling. However, relying on corrupting the input with masks, BERT neglects dependency between the masked positions and suffers from a pretrain-finetune discrepancy. In light of these pros and cons, we propose XLNet, a generalized autoregressive pretraining method that (1) enables learning bidirectional contexts by maximizing the expected likelihood over all permutations of the factorization order and (2) overcomes the limitations of BERT thanks to its autoregressive formulation. Furthermore, XLNet integrates ideas from Transformer-XL, the state-of-the-art autoregressive model, into pretraining. Empirically, XLNet outperforms BERT on 20 tasks, often by a large margin, and achieves state-of-the-art results on 18 tasks including question answering, natural language inference, sentiment analysis, and document ranking.
Graph-based semi-supervised learning (SSL) is an important learning problem where the goal is to assign labels to initially unlabeled nodes in a graph. Graph Convolutional Networks (GCNs) have recently been shown to be effective for graph-based SSL problems. GCNs inherently assume existence of pairwise relationships in the graph-structured data. However, in many real-world problems, relationships go beyond pairwise connections and hence are more complex. Hypergraphs provide a natural modeling tool to capture such complex relationships. In this work, we explore the use of GCNs for hypergraph-based SSL. In particular, we propose HyperGCN, an SSL method which uses a layer-wise propagation rule for convolutional neural networks operating directly on hypergraphs. To the best of our knowledge, this is the first principled adaptation of GCNs to hypergraphs. HyperGCN is able to encode both the hypergraph structure and hypernode features in an effective manner. Through detailed experimentation, we demonstrate HyperGCN's effectiveness at hypergraph-based SSL.
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