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Probabilistic Methods · Variational Inference

Weidi Xu, Jingwei Wang, Lele Xie, Jianshan He, Hongting Zhou, Taifeng Wang, Xiaopei Wan, Jingdong Chen, Chao Qu, Wei Chu

Integrating first-order logic constraints (FOLCs) with neural networks is a crucial but challenging problem since it involves modeling intricate correlations to satisfy the constraints. This paper proposes a novel neural layer, LogicMP, which performs mean-field variational inference over a Markov Logic Network (MLN). It can be plugged into any off-the-shelf neural network to encode FOLCs while retaining modularity and efficiency. By exploiting the structure and symmetries in MLNs, we theoretically demonstrate that our well-designed, efficient mean-field iterations greatly mitigate the difficulty of MLN inference, reducing the inference from sequential calculation to a series of parallel tensor operations. Empirical results in three kinds of tasks over images, graphs, and text show that LogicMP outperforms advanced competitors in both performance and efficiency.

Deep Learning · Generative Models and Autoencoders

Suttisak Wisadwongsa, Worameth Chinchuthakun, Pramook Khungurn, Amit Raj, Supasorn Suwajanakorn

Despite the remarkable success of diffusion models in image generation, slow sampling remains a persistent issue. To accelerate the sampling process, prior studies have reformulated diffusion sampling as an ODE/SDE and introduced higher-order numerical methods. However, these methods often produce divergence artifacts, especially with a low number of sampling steps, which limits the achievable acceleration. In this paper, we investigate the potential causes of these artifacts and suggest that the small stability regions of these methods could be the principal cause. To address this issue, we propose two novel techniques. The first technique involves the incorporation of Heavy Ball (HB) momentum, a well-known technique for improving optimization, into existing diffusion numerical methods to expand their stability regions. We also prove that the resulting methods have first-order convergence. The second technique, called Generalized Heavy Ball (GHVB), constructs a new high-order method that offers a variable trade-off between accuracy and artifact suppression. Experimental results show that our techniques are highly effective in reducing artifacts and improving image quality, surpassing state-of-the-art diffusion solvers on both pixel-based and latent-based diffusion models for low-step sampling. Our research provides novel insights into the design of numerical methods for future diffusion work.

Hemanth Saratchandran, Shin-Fang Chng, Sameera Ramasinghe, Lachlan MacDonald, Simon Lucey

Coordinate networks are widely used in computer vision due to their ability to represent signals as compressed, continuous entities. However, training these networks with first-order optimizers can be slow, hindering their use in real-time applications. Recent works have opted for shallow voxel-based representations to achieve faster training, but this sacrifices memory efficiency. This work proposes a solution that leverages second-order optimization methods to significantly reduce training times for coordinate networks while maintaining their compressibility. Experiments demonstrate the effectiveness of this approach on various signal modalities, such as audio, images, videos, shape and neural radiance fields (NeRF).

Liulei Li, Wenguan Wang, Yi Yang

Current high-performance semantic segmentation models are purely data-driven sub-symbolic approaches and blind to the structured nature of the visual world. This is in stark contrast to human cognition which abstracts visual perceptions at multiple levels and conducts symbolic reasoning with such structured abstraction. To fill these fundamental gaps, we devise LogicSeg, a holistic visual semantic parser that integrates neural inductive learning and logic reasoning with both rich data and symbolic knowledge. In particular, the semantic concepts of interest are structured as a hierarchy, from which a comprehensive set of constraints are derived for describing the symbolic relations and formalized in first-order logic. After fuzzy logic-based continuous relaxation, logical formulae are grounded onto data and neural computational graphs, hence enabling logic-induced network training. During inference, logical constraints are packaged into an iterative process and injected into the network in a form of several matrix multiplications, so as to achieve hierarchy-coherent prediction with logic reasoning. These designs together make LogicSeg a general and compact neural-logic machine that is readily integrated into existing segmentation models. Extensive experiments over four datasets with various segmentation models and backbones verify the effectiveness and generality of LogicSeg. We believe this study opens a new avenue for visual semantic parsing. Our code will be released.

Jingwei Zhang, Farzan Farnia

Explaining the predictions of deep neural nets has been a topic of great interest in the computer vision literature. While several gradient-based interpretation schemes have been proposed to reveal the influential variables in a neural net's prediction, standard gradient-based interpretation frameworks have been commonly observed to lack robustness to input perturbations and flexibility for incorporating prior knowledge of sparsity and group-sparsity structures. In this work, we propose MoreauGrad as an interpretation scheme based on the classifier neural net's Moreau envelope. We demonstrate that MoreauGrad results in a smooth and robust interpretation of a multi-layer neural network and can be efficiently computed through first-order optimization methods. Furthermore, we show that MoreauGrad can be naturally combined with L1-norm regularization techniques to output a sparse or group-sparse explanation which are prior conditions applicable to a wide range of deep learning applications. We empirically evaluate the proposed MoreauGrad scheme on standard computer vision datasets, showing the qualitative and quantitative success of the MoreauGrad approach in comparison to standard gradient-based interpretation methods.

Xingxuan Zhang, Renzhe Xu, Han Yu, Yancheng Dong, Pengfei Tian, Peng Cui

Domain generalization (DG) seeks to learn robust models that generalize well under unknown distribution shifts. As a critical aspect of DG, optimizer selection has not been explored in depth. Currently, most DG methods follow the widely used benchmark, DomainBed, and utilize Adam as the default optimizer for all datasets. However, we reveal that Adam is not necessarily the optimal choice for the majority of current DG methods and datasets. Based on the perspective of loss landscape flatness, we propose a novel approach, Flatness-Aware Minimization for Domain Generalization (FAD), which can efficiently optimize both zeroth-order and first-order flatness simultaneously for DG. We provide theoretical analyses of the FAD's out-of-distribution (OOD) generalization error and convergence. Our experimental results demonstrate the superiority of FAD on various DG datasets.

Min Zhang, Junkun Yuan, Yue He, Wenbin Li, Zhengyu Chen, Kun Kuang

Deep learning has achieved tremendous success in recent years, but most of these successes are built on an independent and identically distributed (IID) assumption. This somewhat hinders the application of deep learning to the more challenging out-of-distribution (OOD) scenarios. Although many OOD methods have been proposed to address this problem and have obtained good performance on testing data that is of major shifts with training distributions, interestingly, we experimentally find that these methods achieve excellent OOD performance by making a great sacrifice of the IID performance. We call this finding the IID-OOD dilemma. Clearly, in real-world applications, distribution shifts between training and testing data are often uncertain, where shifts could be minor, and even close to the IID scenario, and thus it is truly important to design a deep model with the balanced generalization ability between IID and OOD. To this end, in this paper, we investigate an intriguing problem of balancing IID and OOD generalizations and propose a novel Model Agnostic adaPters (MAP) method, which is more reliable and effective for distribution-shift-agnostic real-world data. Our key technical contribution is to use auxiliary adapter layers to incorporate the inductive bias of IID into OOD methods. To achieve this goal, we apply a bilevel optimization to explicitly model and optimize the coupling relationship between the OOD model and auxiliary adapter layers. We also theoretically give a first-order approximation to save computational time. Experimental results on six datasets successfully demonstrate that MAP can greatly improve the performance of IID while achieving good OOD performance.

Jun Luo, Matias Mendieta, Chen Chen, Shandong Wu

Personalized federated learning has received an upsurge of attention due to the mediocre performance of conventional federated learning (FL) over heterogeneous data. Unlike conventional FL which trains a single global consensus model, personalized FL allows different models for different clients. However, existing personalized FL algorithms only implicitly transfer the collaborative knowledge across the federation by embedding the knowledge into the aggregated model or regularization. We observed that this implicit knowledge transfer fails to maximize the potential of each client's empirical risk toward other clients. Based on our observation, in this work, we propose Personalized Global Federated Learning (PGFed), a novel personalized FL framework that enables each client to personalize its own global objective by explicitly and adaptively aggregating the empirical risks of itself and other clients. To avoid massive (O(N^2)) communication overhead and potential privacy leakage while achieving this, each client's risk is estimated through a first-order approximation for other clients' adaptive risk aggregation. On top of PGFed, we develop a momentum upgrade, dubbed PGFedMo, to more efficiently utilize clients' empirical risks. Our extensive experiments on four datasets under different federated settings show consistent improvements of PGFed over previous state-of-the-art methods. The code is publicly available at https://github.com/ljaiverson/pgfed.

Perrine Chassat, Juhyun Park, Nicolas Brunel

Geometric frameworks for analyzing curves are common in applications as they focus on invariant features and provide visually satisfying solutions to standard problems such as computing invariant distances, averaging curves, or registering curves. We show that for any smooth curve in R^d, d>1, the generalized curvatures associated with the Frenet-Serret equation can be used to define a Riemannian geometry that takes into account all the geometric features of the shape. This geometry is based on a Square Root Curvature Transform that extends the square root-velocity transform for Euclidean curves (in any dimensions) and provides likely geodesics that avoid artefacts encountered by representations using only first-order geometric information. Our analysis is supported by simulated data and is especially relevant for analyzing human motions. We consider trajectories acquired from sign language, and show the interest of considering curvature and also torsion in their analysis, both being physically meaningful.

Songhua Liu, Xinchao Wang

Dataset distillation aims at a small synthetic dataset to mimic the training performance on neural networks of a given large dataset. Existing approaches heavily rely on an iterative optimization to update synthetic data and multiple forward-backward passes over thousands of neural network spaces, which introduce significant overhead for computation and are inconvenient in scenarios requiring high efficiency. In this paper, we focus on few-shot dataset distillation, where a distilled dataset is synthesized with only a few or even a single network. To this end, we introduce the notion of distillation space, such that synthetic data optimized only in this specific space can achieve the effect of those optimized through numerous neural networks, with dramatically accelerated training and reduced computational cost. To learn such a distillation space, we first formulate the problem as a quad-level optimization framework and propose a bi-level algorithm. Nevertheless, the algorithm in its original form has a large memory footprint in practice due to the back-propagation through an unrolled computational graph. We then convert the problem of learning the distillation space to a first-order one based on image translation. Specifically, the synthetic images are optimized in an arbitrary but fixed neural space and then translated to those in the targeted distillation space. We pre-train the translator on some large datasets like ImageNet so that it requires only a limited number of adaptation steps on the target dataset. Extensive experiments demonstrate that the translator after pre-training and a limited number of adaptation steps achieves comparable distillation performance with state of the arts, with 15x acceleration. It also exerts satisfactory generalization performance across different datasets, storage budgets, and numbers of classes.

Berk Iskender, Marc L. Klasky, Yoram Bresler

Dynamic imaging involves the recovery of a time-varying 2D or 3D object at each time instant using its undersampled measurements. In particular, in dynamic tomography, only a single projection at a single view angle may be available at a time, making the problem severely ill-posed. In this work, we propose an approach, RED-PSM, which combines for the first time two powerful techniques to address this challenging imaging problem. The first, are partially separable models, which have been used to introduce a low-rank prior for the spatio-temporal object. The second is the recent Regularization by Denoising (RED), which provides a flexible framework to exploit the impressive performance of state-of-the-art image denoising algorithms, for various inverse problems. We propose a partially separable objective with RED and an optimization scheme with variable splitting and ADMM. Our objective is proved to converge to a value corresponding to a stationary point satisfying the first-order optimality conditions. Convergence is accelerated by a particular projection-domain-based initialization. We demonstrate the performance and computational improvements of our proposed RED-PSM with a learned image denoiser by comparing it to a recent deep-prior-based method TD-DIP. Although the emphasis is on dynamic tomography, we also demonstrate the performance advantages of RED-PSM in a dynamic cardiac MRI setting.

Chao Zhang 0078, Jingwen Wei, Bo Wang 0027, Zechao Li, Chunlin Chen 0001, Huaxiong Li

Graph based methods have been widely used in incomplete multi-view clustering (IMVC). Most recent methods try to fill the original missing samples or incomplete affinity matrices to obtain a complete similarity graph for the subsequent spectral clustering. However, recovering the original high-dimensional data or complete n X n similarity matrix is usually time-consuming and noise-sensitive. Besides, they generally separate the cluster indicator learning into an individual step, which may result in sub-optimal graphs or spectral embeddings for clustering. To address these problems, this paper proposes a robust Spectral Embedding Completion based IMVC (SEC-IMVC) method, which incorporates spectral embedding completion and discrete cluster indicator learning into a unified framework. SEC-IMVC performs completion on spectral embeddings, and the embedding noise is eliminated to reduce the negative influence of original data noise. The discrete cluster indicator matrix is seamlessly learned by using spectral rotation, and it can explore the first-order feature consistency among different views. To further improve the completion robustness, the second-order correlation consistency is also captured by pairwise relations alignment. We compare our method with some state-of-the-art approaches on several datasets, and the experimental results show the effectiveness and advantages of our method.

Haoran Wang, Kai Shu

Claim verification plays a crucial role in combating misinformation. While existing works on claim verification have shown promising results, a crucial piece of the puzzle that remains unsolved is to understand how to verify claims without relying on human-annotated data, which is expensive to create at a large scale. Additionally, it is important for models to provide comprehensive explanations that can justify their decisions and assist human fact-checkers. This paper presents First-Order-Logic-Guided Knowledge-Grounded (FOLK) Reasoning that can verify complex claims and generate explanations without the need for annotated evidence using Large Language Models (LLMs). FOLK leverages the in-context learning ability of LLMs to translate the claim into a First-Order-Logic (FOL) clause consisting of predicates, each corresponding to a sub-claim that needs to be verified. Then, FOLK performs FOL-Guided reasoning over a set of knowledge-grounded question-and-answer pairs to make veracity predictions and generate explanations to justify its decision-making process. This process makes our model highly explanatory, providing clear explanations of its reasoning process in human-readable form. Our experiment results indicate that FOLK outperforms strong baselines on three datasets encompassing various claim verification challenges. Our code and data are available.

Feng Zhao, Hongzhi Zou, Cheng Yan

The knowledge graph-to-text (KG-to-text) generation task aims to synthesize coherent and engaging sentences that accurately convey the complex information derived from an input knowledge graph. One of the primary challenges in this task is bridging the gap between the diverse structures of the KG and the target text, while preserving the details of the input KG. To address this, we propose a novel approach that efficiently integrates graph structure-aware modules with pre-trained language models. Unlike conventional techniques, which only consider direct connections between first-order neighbors, our method delves deeper by incorporating Relative Distance Encoding as a bias within the graph structure-aware module. This enables our model to better capture the intricate topology information present in the KG. To further elevate the fidelity of the generated text, Planning Selection and Similarity Distinction are introduced. Our approach filters the most relevant linearized sequences by employing a planning scorer, while simultaneously distinguishing similar input KGs through contrastive learning techniques. Experiments on two datasets demonstrate the superiority of our model.

Weishi Wang, Yue Wang, Steven Hoi, Shafiq Joty

Automatic program repair (APR) has gained increasing attention as an essential technique in software development to reduce manual debugging efforts and boost developers’ productivity. Recent advances in deep learning (DL) based models have demonstrated promising results by learning from large-scale bug-fix examples in a data-driven manner. However, in practical scenarios, software bugs have an imbalanced distribution, and the fixing knowledge learned by APR models often only capture the patterns of frequent error types, making it inapplicable to handle the rare error types. To address this limitation, we investigate a novel task of low-resource APR, and propose Meta-APR, a new meta-learning framework integrated with code pretrained language models to generate fixes for low-resource bugs with limited training samples. Our Meta-APR learns better error-specific knowledge from high-resource bugs through efficient first-order meta-learning optimization, which allows for a faster adaptation to the target low-resource bugs. Besides, while we adopt CodeT5, a pretrained code-aware encoder-decoder Transformer, as the backbone model for Meta-APR, it is a model-agnostic framework that can be integrated with any neural models. Extensive experimental results on three benchmarks in various programming languages verify the superiority of our method over existing DL-based APR approaches.

Theo Olausson, Alex Gu, Ben Lipkin, Cedegao Zhang, Armando Solar-Lezama, Joshua Tenenbaum, Roger Levy

Logical reasoning, i.e., deductively inferring the truth value of a conclusion from a set of premises, is an important task for artificial intelligence with wide potential impacts on science, mathematics, and society. While many prompting-based strategies have been proposed to enable Large Language Models (LLMs) to do such reasoning more effectively, they still appear unsatisfactory, often failing in subtle and unpredictable ways. In this work, we investigate the validity of instead reformulating such tasks as modular neurosymbolic programming, which we call LINC: Logical Inference via Neurosymbolic Computation. In LINC, the LLM acts as a semantic parser, translating premises and conclusions from natural language to expressions in first-order logic. These expressions are then offloaded to an external theorem prover, which symbolically performs deductive inference. Leveraging this approach, we observe significant performance gains on FOLIO and a balanced subset of ProofWriter for three different models in nearly all experimental conditions we evaluate. On ProofWriter, augmenting the comparatively small open-source StarCoder+ (15.5B parameters) with LINC even outperforms GPT-3.5 and GPT-4 with Chain-of-Thought (CoT) prompting by an absolute 38% and 10%, respectively. When used with GPT-4, LINC scores 26% higher than CoT on ProofWriter while performing comparatively on FOLIO. Further analysis reveals that although both methods on average succeed roughly equally often on this dataset, they exhibit distinct and complementary failure modes. We thus provide promising evidence for how logical reasoning over natural language can be tackled through jointly leveraging LLMs alongside symbolic provers. All corresponding code is publicly available.

Deep Learning/Theory

William Merrill, Ashish Sabharwal

One way to interpret the reasoning power of transformer-based language models is to describe the types of logical rules they can resolve over some input text. Recently, Chiang et al. (2023) showed that finite-precision transformer classifiers can be equivalently expressed in a generalization of first-order logic. However, finite-precision transformers are a weak transformer variant because, as we show, a single head can only attend to a constant number of tokens and, in particular, cannot represent uniform attention. Since attending broadly is a core capability for transformers, we ask whether a minimally more expressive model that can attend universally can also be characterized in logic. To this end, we analyze transformers whose forward pass is computed in $\log n$ precision on contexts of length $n$. We prove any log-precision transformer classifier can be equivalently expressed as a first-order logic sentence that, in addition to standard universal and existential quantifiers, may also contain majority-vote quantifiers. This is the tightest known upper bound and first logical characterization of log-precision transformers.

Deep Learning/Algorithms

Liyuan Liu, Chengyu Dong, Xiaodong Liu, Bin Yu, Jianfeng Gao

Backpropagation, the cornerstone of deep learning, is limited to computing gradients for continuous variables. This limitation poses challenges for problems involving discrete latent variables. To address this issue, we propose a novel approach to approximate the gradient of parameters involved in generating discrete latent variables. First, we examine the widely used Straight-Through (ST) heuristic and demonstrate that it works as a first-order approximation of the gradient. Guided by our findings, we propose ReinMax, which achieves second-order accuracy by integrating Heun’s method, a second-order numerical method for solving ODEs. ReinMax does not require Hessian or other second-order derivatives, thus having negligible computation overheads. Extensive experimental results on various tasks demonstrate the superiority of ReinMax over the state of the art.

Deep Learning/Algorithms

Liyuan Liu, Chengyu Dong, Xiaodong Liu, Bin Yu, Jianfeng Gao

Backpropagation, the cornerstone of deep learning, is limited to computing gradients for continuous variables. This limitation poses challenges for problems involving discrete latent variables. To address this issue, we propose a novel approach to approximate the gradient of parameters involved in generating discrete latent variables. First, we examine the widely used Straight-Through (ST) heuristic and demonstrate that it works as a first-order approximation of the gradient. Guided by our findings, we propose ReinMax, which achieves second-order accuracy by integrating Heun’s method, a second-order numerical method for solving ODEs. ReinMax does not require Hessian or other second-order derivatives, thus having negligible computation overheads. Extensive experimental results on various tasks demonstrate the superiority of ReinMax over the state of the art.

Optimization/First-order

Hoomaan Maskan, Konstantinos Zygalakis, Alp Yurtsever

We consider unconstrained minimization of smooth convex functions. We propose a novel variational perspective using forced Euler-Lagrange equation that allows for studying high-resolution ODEs. Through this, we obtain a faster convergence rate for gradient norm minimization using Nesterov's accelerated gradient method. Additionally, we show that Nesterov's method can be interpreted as a rate-matching discretization of an appropriately chosen high-resolution ODE. Finally, using the results from the new variational perspective, we propose a stochastic method for noisy gradients. Several numerical experiments compare and illustrate our stochastic algorithm with state of the art methods.