arXiv subjects

Kenji Kawaguchi

Publications and source records attributed to Kenji Kawaguchi.

At least 109 records · Page 6Linked to original sources

arXiv2023

Learning Unorthogonalized Matrices for Rotation Estimation

Estimating 3D rotations is a common procedure for 3D computer vision. The accuracy depends heavily on the rotation representation. One form of representation -- rotation matrices -- is popular due to its continuity, especially for pose estimation tasks. The learning process usually incorporates orthogonalization to ensure orthonormal matrices. Our work reveals, through gradient analysis, that common orthogonalization procedures based on the Gram-Schmidt process and singular value decomposition will slow down training efficiency. To this end, we advocate removing orthogonalization from the learning process and learning unorthogonalized `Pseudo' Rotation Matrices (PRoM). An optimization analysis shows that PRoM converges faster and to a better solution. By replacing the orthogonalization incorporated representation with our proposed PRoM in various rotation-related tasks, we achieve state-of-the-art results on large-scale benchmarks for human pose estimation.

cs.CV↗

arXiv2023

Bias-Variance Trade-off in Physics-Informed Neural Networks with Randomized Smoothing for High-Dimensional PDEs

While physics-informed neural networks (PINNs) have been proven effective for low-dimensional partial differential equations (PDEs), the computational cost remains a hurdle in high-dimensional scenarios. This is particularly pronounced when computing high-order and high-dimensional derivatives in the physics-informed loss. Randomized Smoothing PINN (RS-PINN) introduces Gaussian noise for stochastic smoothing of the original neural net model, enabling Monte Carlo methods for derivative approximation, eliminating the need for costly auto-differentiation. Despite its computational efficiency in high dimensions, RS-PINN introduces biases in both loss and gradients, negatively impacting convergence, especially when coupled with stochastic gradient descent (SGD). We present a comprehensive analysis of biases in RS-PINN, attributing them to the nonlinearity of the Mean Squared Error (MSE) loss and the PDE nonlinearity. We propose tailored bias correction techniques based on the order of PDE nonlinearity. The unbiased RS-PINN allows for a detailed examination of its pros and cons compared to the biased version. Specifically, the biased version has a lower variance and runs faster than the unbiased version, but it is less accurate due to the bias. To optimize the bias-variance trade-off, we combine the two approaches in a hybrid method that balances the rapid convergence of the biased version with the high accuracy of the unbiased version. In addition, we present an enhanced implementation of RS-PINN. Extensive experiments on diverse high-dimensional PDEs, including Fokker-Planck, HJB, viscous Burgers', Allen-Cahn, and Sine-Gordon equations, illustrate the bias-variance trade-off and highlight the effectiveness of the hybrid RS-PINN. Empirical guidelines are provided for selecting biased, unbiased, or hybrid versions, depending on the dimensionality and nonlinearity of the specific PDE problem.

cs.LG↗

arXiv2023

Single-Pass Contrastive Learning Can Work for Both Homophilic and Heterophilic Graph

Existing graph contrastive learning (GCL) techniques typically require two forward passes for a single instance to construct the contrastive loss, which is effective for capturing the low-frequency signals of node features. Such a dual-pass design has shown empirical success on homophilic graphs, but its effectiveness on heterophilic graphs, where directly connected nodes typically have different labels, is unknown. In addition, existing GCL approaches fail to provide strong performance guarantees. Coupled with the unpredictability of GCL approaches on heterophilic graphs, their applicability in real-world contexts is limited. Then, a natural question arises: Can we design a GCL method that works for both homophilic and heterophilic graphs with a performance guarantee? To answer this question, we theoretically study the concentration property of features obtained by neighborhood aggregation on homophilic and heterophilic graphs, introduce the single-pass augmentation-free graph contrastive learning loss based on the property, and provide performance guarantees for the minimizer of the loss on downstream tasks. As a direct consequence of our analysis, we implement the Single-Pass Graph Contrastive Learning method (SP-GCL). Empirically, on 14 benchmark datasets with varying degrees of homophily, the features learned by the SP-GCL can match or outperform existing strong baselines with significantly less computational overhead, which demonstrates the usefulness of our findings in real-world cases.

cs.LG↗

arXiv2023

Knowledge-Augmented Reasoning Distillation for Small Language Models in Knowledge-Intensive Tasks

Large Language Models (LLMs) have shown promising performance in knowledge-intensive reasoning tasks that require a compound understanding of knowledge. However, deployment of the LLMs in real-world applications can be challenging due to their high computational requirements and concerns on data privacy. Previous studies have focused on building task-specific small Language Models (LMs) by fine-tuning them with labeled data or distilling LLMs. However, these approaches are ill-suited for knowledge-intensive reasoning tasks due to the limited capacity of small LMs in memorizing the knowledge required. Motivated by our theoretical analysis on memorization, we propose Knowledge-Augmented Reasoning Distillation (KARD), a novel method that fine-tunes small LMs to generate rationales obtained from LLMs with augmented knowledge retrieved from an external knowledge base. Moreover, we further propose a neural reranker to obtain documents relevant to rationale generation. We empirically show that KARD significantly improves the performance of small T5 and GPT models on the challenging knowledge-intensive reasoning datasets, namely MedQA-USMLE, StrategyQA, and OpenbookQA. Notably, our method makes the 250M T5 models achieve superior performance against the fine-tuned 3B models, having 12 times larger parameters, on both MedQA-USMLE and StrategyQA benchmarks.

cs.CL↗

arXiv2023

Self-Evaluation Guided Beam Search for Reasoning

Breaking down a problem into intermediate steps has demonstrated impressive performance in Large Language Model (LLM) reasoning. However, the growth of the reasoning chain introduces uncertainty and error accumulation, making it challenging to elicit accurate final results. To tackle this challenge of uncertainty in multi-step reasoning, we introduce a stepwise self-evaluation mechanism to guide and calibrate the reasoning process of LLMs. We propose a decoding algorithm integrating the self-evaluation guidance via stochastic beam search. The self-evaluation guidance serves as a better-calibrated automatic criterion, facilitating an efficient search in the reasoning space and resulting in superior prediction quality. Stochastic beam search balances exploitation and exploration of the search space with temperature-controlled randomness. Our approach surpasses the corresponding Codex-backboned baselines in few-shot accuracy by $6.34\%$, $9.56\%$, and $5.46\%$ on the GSM8K, AQuA, and StrategyQA benchmarks, respectively. Experiment results with Llama-2 on arithmetic reasoning demonstrate the efficiency of our method in outperforming the baseline methods with comparable computational budgets. Further analysis in multi-step reasoning finds our self-evaluation guidance pinpoints logic failures and leads to higher consistency and robustness. Our code is publicly available at https://guideddecoding.github.io/.

cs.CL↗

arXiv2023

Automatic Model Selection with Large Language Models for Reasoning

Chain-of-Thought (CoT) and Program-Aided Language Models (PAL) represent two distinct reasoning methods, each with its own strengths. CoT employs natural language, offering flexibility and interpretability, while PAL utilizes programming language, yielding more structured and rigorous logic. We introduce a model selection method to combine the best of both worlds by employing a large language model (LLM) to dynamically select between them. Our theoretical analysis underscores the feasibility of this method, which is further corroborated by empirical results. Our proposed method demonstrates significant performance improvements across eight reasoning datasets with Codex, ChatGPT, and GPT-4. Additionally, our method is complementary to self-consistency; when integrated, it can further enhance performance while significantly reducing computation costs. Moreover, we achieve new state-of-the-art results on GSM8K and SVAMP, with respective accuracies of 96.8% and 93.7%. Our code, data and prompts are available at https://github.com/XuZhao0/Model-Selection-Reasoning

cs.CL↗

arXiv2023

PICProp: Physics-Informed Confidence Propagation for Uncertainty Quantification

Standard approaches for uncertainty quantification in deep learning and physics-informed learning have persistent limitations. Indicatively, strong assumptions regarding the data likelihood are required, the performance highly depends on the selection of priors, and the posterior can be sampled only approximately, which leads to poor approximations because of the associated computational cost. This paper introduces and studies confidence interval (CI) estimation for deterministic partial differential equations as a novel problem. That is, to propagate confidence, in the form of CIs, from data locations to the entire domain with probabilistic guarantees. We propose a method, termed Physics-Informed Confidence Propagation (PICProp), based on bi-level optimization to compute a valid CI without making heavy assumptions. We provide a theorem regarding the validity of our method, and computational experiments, where the focus is on physics-informed learning.

cs.AI↗

arXiv2023

MixupE: Understanding and Improving Mixup from Directional Derivative Perspective

Mixup is a popular data augmentation technique for training deep neural networks where additional samples are generated by linearly interpolating pairs of inputs and their labels. This technique is known to improve the generalization performance in many learning paradigms and applications. In this work, we first analyze Mixup and show that it implicitly regularizes infinitely many directional derivatives of all orders. Based on this new insight, we propose an improved version of Mixup, theoretically justified to deliver better generalization performance than the vanilla Mixup. To demonstrate the effectiveness of the proposed method, we conduct experiments across various domains such as images, tabular data, speech, and graphs. Our results show that the proposed method improves Mixup across multiple datasets using a variety of architectures, for instance, exhibiting an improvement over Mixup by 0.8% in ImageNet top-1 accuracy.

cs.LG↗

arXiv2023

Multi-View Class Incremental Learning

Multi-view learning (MVL) has gained great success in integrating information from multiple perspectives of a dataset to improve downstream task performance. To make MVL methods more practical in an open-ended environment, this paper investigates a novel paradigm called multi-view class incremental learning (MVCIL), where a single model incrementally classifies new classes from a continual stream of views, requiring no access to earlier views of data. However, MVCIL is challenged by the catastrophic forgetting of old information and the interference with learning new concepts. To address this, we first develop a randomization-based representation learning technique serving for feature extraction to guarantee their separate view-optimal working states, during which multiple views belonging to a class are presented sequentially; Then, we integrate them one by one in the orthogonality fusion subspace spanned by the extracted features; Finally, we introduce selective weight consolidation for learning-without-forgetting decision-making while encountering new classes. Extensive experiments on synthetic and real-world datasets validate the effectiveness of our approach.

cs.LG↗

arXiv2023

Fast Diffusion Model

Diffusion models (DMs) have been adopted across diverse fields with its remarkable abilities in capturing intricate data distributions. In this paper, we propose a Fast Diffusion Model (FDM) to significantly speed up DMs from a stochastic optimization perspective for both faster training and sampling. We first find that the diffusion process of DMs accords with the stochastic optimization process of stochastic gradient descent (SGD) on a stochastic time-variant problem. Then, inspired by momentum SGD that uses both gradient and an extra momentum to achieve faster and more stable convergence than SGD, we integrate momentum into the diffusion process of DMs. This comes with a unique challenge of deriving the noise perturbation kernel from the momentum-based diffusion process. To this end, we frame the process as a Damped Oscillation system whose critically damped state -- the kernel solution -- avoids oscillation and yields a faster convergence speed of the diffusion process. Empirical results show that our FDM can be applied to several popular DM frameworks, e.g., VP, VE, and EDM, and reduces their training cost by about 50% with comparable image synthesis performance on CIFAR-10, FFHQ, and AFHQv2 datasets. Moreover, FDM decreases their sampling steps by about 3x to achieve similar performance under the same samplers. The code is available at https://github.com/sail-sg/FDM.

cs.CV↗

arXiv2023

Augmented Physics-Informed Neural Networks (APINNs): A gating network-based soft domain decomposition methodology

In this paper, we propose the augmented physics-informed neural network (APINN), which adopts soft and trainable domain decomposition and flexible parameter sharing to further improve the extended PINN (XPINN) as well as the vanilla PINN methods. In particular, a trainable gate network is employed to mimic the hard decomposition of XPINN, which can be flexibly fine-tuned for discovering a potentially better partition. It weight-averages several sub-nets as the output of APINN. APINN does not require complex interface conditions, and its sub-nets can take advantage of all training samples rather than just part of the training data in their subdomains. Lastly, each sub-net shares part of the common parameters to capture the similar components in each decomposed function. Furthermore, following the PINN generalization theory in Hu et al. [2021], we show that APINN can improve generalization by proper gate network initialization and general domain & function decomposition. Extensive experiments on different types of PDEs demonstrate how APINN improves the PINN and XPINN methods. Specifically, we present examples where XPINN performs similarly to or worse than PINN, so that APINN can significantly improve both. We also show cases where XPINN is already better than PINN, so APINN can still slightly improve XPINN. Furthermore, we visualize the optimized gating networks and their optimization trajectories, and connect them with their performance, which helps discover the possibly optimal decomposition. Interestingly, if initialized by different decomposition, the performances of corresponding APINNs can differ drastically. This, in turn, shows the potential to design an optimal domain decomposition for the differential equation problem under consideration.

cs.LG↗

arXiv2023

TuneUp: A Simple Improved Training Strategy for Graph Neural Networks

Despite recent advances in Graph Neural Networks (GNNs), their training strategies remain largely under-explored. The conventional training strategy learns over all nodes in the original graph(s) equally, which can be sub-optimal as certain nodes are often more difficult to learn than others. Here we present TuneUp, a simple curriculum-based training strategy for improving the predictive performance of GNNs. TuneUp trains a GNN in two stages. In the first stage, TuneUp applies conventional training to obtain a strong base GNN. The base GNN tends to perform well on head nodes (nodes with large degrees) but less so on tail nodes (nodes with small degrees). Therefore, the second stage of TuneUp focuses on improving prediction on the difficult tail nodes by further training the base GNN on synthetically generated tail node data. We theoretically analyze TuneUp and show it provably improves generalization performance on tail nodes. TuneUp is simple to implement and applicable to a broad range of GNN architectures and prediction tasks. Extensive evaluation of TuneUp on five diverse GNN architectures, three types of prediction tasks, and both transductive and inductive settings shows that TuneUp significantly improves the performance of the base GNN on tail nodes, while often even improving the performance on head nodes. Altogether, TuneUp produces up to 57.6% and 92.2% relative predictive performance improvement in the transductive and the challenging inductive settings, respectively.

stat.ML↗

arXiv2023

Generalization in Deep Learning

This paper provides theoretical insights into why and how deep learning can generalize well, despite its large capacity, complexity, possible algorithmic instability, nonrobustness, and sharp minima, responding to an open question in the literature. We also discuss approaches to provide non-vacuous generalization guarantees for deep learning. Based on theoretical observations, we propose new open problems and discuss the limitations of our results.

stat.ML↗

arXiv2023

Neural Active Learning on Heteroskedastic Distributions

Models that can actively seek out the best quality training data hold the promise of more accurate, adaptable, and efficient machine learning. Active learning techniques often tend to prefer examples that are the most difficult to classify. While this works well on homogeneous datasets, we find that it can lead to catastrophic failures when performed on multiple distributions with different degrees of label noise or heteroskedasticity. These active learning algorithms strongly prefer to draw from the distribution with more noise, even if their examples have no informative structure (such as solid color images with random labels). To this end, we demonstrate the catastrophic failure of these active learning algorithms on heteroskedastic distributions and propose a fine-tuning-based approach to mitigate these failures. Further, we propose a new algorithm that incorporates a model difference scoring function for each data point to filter out the noisy examples and sample clean examples that maximize accuracy, outperforming the existing active learning techniques on the heteroskedastic datasets. We hope these observations and techniques are immediately helpful to practitioners and can help to challenge common assumptions in the design of active learning algorithms.

cs.LG↗

arXiv2023

Last-Layer Fairness Fine-tuning is Simple and Effective for Neural Networks

As machine learning has been deployed ubiquitously across applications in modern data science, algorithmic fairness has become a great concern. Among them, imposing fairness constraints during learning, i.e. in-processing fair training, has been a popular type of training method because they don't require accessing sensitive attributes during test time in contrast to post-processing methods. While this has been extensively studied in classical machine learning models, their impact on deep neural networks remains unclear. Recent research has shown that adding fairness constraints to the objective function leads to severe over-fitting to fairness criteria in large models, and how to solve this challenge is an important open question. To tackle this, we leverage the wisdom and power of pre-training and fine-tuning and develop a simple but novel framework to train fair neural networks in an efficient and inexpensive way -- last-layer fine-tuning alone can effectively promote fairness in deep neural networks. This framework offers valuable insights into representation learning for training fair neural networks.

cs.LG↗

arXiv2023

Sketch-Based Anomaly Detection in Streaming Graphs

Given a stream of graph edges from a dynamic graph, how can we assign anomaly scores to edges and subgraphs in an online manner, for the purpose of detecting unusual behavior, using constant time and memory? For example, in intrusion detection, existing work seeks to detect either anomalous edges or anomalous subgraphs, but not both. In this paper, we first extend the count-min sketch data structure to a higher-order sketch. This higher-order sketch has the useful property of preserving the dense subgraph structure (dense subgraphs in the input turn into dense submatrices in the data structure). We then propose 4 online algorithms that utilize this enhanced data structure, which (a) detect both edge and graph anomalies; (b) process each edge and graph in constant memory and constant update time per newly arriving edge, and; (c) outperform state-of-the-art baselines on 4 real-world datasets. Our method is the first streaming approach that incorporates dense subgraph search to detect graph anomalies in constant memory and time.

cs.DS↗

arXiv2023

GFlowOut: Dropout with Generative Flow Networks

Bayesian Inference offers principled tools to tackle many critical problems with modern neural networks such as poor calibration and generalization, and data inefficiency. However, scaling Bayesian inference to large architectures is challenging and requires restrictive approximations. Monte Carlo Dropout has been widely used as a relatively cheap way for approximate Inference and to estimate uncertainty with deep neural networks. Traditionally, the dropout mask is sampled independently from a fixed distribution. Recent works show that the dropout mask can be viewed as a latent variable, which can be inferred with variational inference. These methods face two important challenges: (a) the posterior distribution over masks can be highly multi-modal which can be difficult to approximate with standard variational inference and (b) it is not trivial to fully utilize sample-dependent information and correlation among dropout masks to improve posterior estimation. In this work, we propose GFlowOut to address these issues. GFlowOut leverages the recently proposed probabilistic framework of Generative Flow Networks (GFlowNets) to learn the posterior distribution over dropout masks. We empirically demonstrate that GFlowOut results in predictive distributions that generalize better to out-of-distribution data, and provide uncertainty estimates which lead to better performance in downstream tasks.

cs.LG↗

arXiv2023

IF2Net: Innately Forgetting-Free Networks for Continual Learning

Continual learning can incrementally absorb new concepts without interfering with previously learned knowledge. Motivated by the characteristics of neural networks, in which information is stored in weights on connections, we investigated how to design an Innately Forgetting-Free Network (IF2Net) for continual learning context. This study proposed a straightforward yet effective learning paradigm by ingeniously keeping the weights relative to each seen task untouched before and after learning a new task. We first presented the novel representation-level learning on task sequences with random weights. This technique refers to tweaking the drifted representations caused by randomization back to their separate task-optimal working states, but the involved weights are frozen and reused (opposite to well-known layer-wise updates of weights). Then, sequential decision-making without forgetting can be achieved by projecting the output weight updates into the parsimonious orthogonal space, making the adaptations not disturb old knowledge while maintaining model plasticity. IF2Net allows a single network to inherently learn unlimited mapping rules without telling task identities at test time by integrating the respective strengths of randomization and orthogonalization. We validated the effectiveness of our approach in the extensive theoretical analysis and empirical study.

cs.LG↗