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2407.02263

FreeCG: Free the Design Space of Clebsch-Gordan Transform for Machine Learning Force Field

The Clebsch-Gordan Transform (CG transform) effectively encodes many-body interactions. Many studies have proven its accuracy in depicting atomic environments, although this comes with high computational needs. The computational burden of this challenge is hard to reduce due to the need for permutation equivariance, which limits the design space of the CG transform layer. We show that, implementing the CG transform layer on permutation-invariant inputs allows complete freedom in the design of this layer without affecting symmetry. Developing further on this premise, our idea is to create a CG transform layer that operates on permutation-invariant abstract edges generated from real edge information. We bring in group CG transform with sparse path, abstract edges shuffling, and attention enhancer to form a powerful and efficient CG transform layer. Our method, known as FreeCG, achieves State-of-The-Art (SoTA) results in force prediction for MD17, rMD17, MD22, and property prediction in QM9 datasets with notable enhancement. It introduces a novel paradigm for carrying out efficient and expressive CG transform in future geometric neural network designs.

http://arxiv.org/pdf/2407.02263v2

2024-07-14T12:40:35Z

2024-07-02T13:40:29Z

2211.15597

Lightning Fast Video Anomaly Detection via Adversarial Knowledge Distillation

We propose a very fast frame-level model for anomaly detection in video, which learns to detect anomalies by distilling knowledge from multiple highly accurate object-level teacher models. To improve the fidelity of our student, we distill the low-resolution anomaly maps of the teachers by jointly applying standard and adversarial distillation, introducing an adversarial discriminator for each teacher to distinguish between target and generated anomaly maps. We conduct experiments on three benchmarks (Avenue, ShanghaiTech, UCSD Ped2), showing that our method is over 7 times faster than the fastest competing method, and between 28 and 62 times faster than object-centric models, while obtaining comparable results to recent methods. Our evaluation also indicates that our model achieves the best trade-off between speed and accuracy, due to its previously unheard-of speed of 1480 FPS. In addition, we carry out a comprehensive ablation study to justify our architectural design choices. Our code is freely available at: https://github.com/ristea/fast-aed.

http://arxiv.org/pdf/2211.15597v3

2024-07-14T11:34:21Z

2022-11-28T17:50:19Z

2407.10165

The Hidden Influence of Latent Feature Magnitude When Learning with Imbalanced Data

Machine learning (ML) models have difficulty generalizing when the number of training class instances are numerically imbalanced. The problem of generalization in the face of data imbalance has largely been attributed to the lack of training data for under-represented classes and to feature overlap. The typical remedy is to implement data augmentation for classes with fewer instances or to assign a higher cost to minority class prediction errors or to undersample the prevalent class. However, we show that one of the central causes of impaired generalization when learning with imbalanced data is the inherent manner in which ML models perform inference. These models have difficulty generalizing due to their heavy reliance on the magnitude of encoded signals. During inference, the models predict classes based on a combination of encoded signal magnitudes that linearly sum to the largest scalar. We demonstrate that even with aggressive data augmentation, which generally improves minority class prediction accuracy, parametric ML models still associate a class label with a limited number of feature combinations that sum to a prediction, which can affect generalization.

http://arxiv.org/pdf/2407.10165v1

2024-07-14T11:20:50Z

2024-07-14T11:20:50Z

2407.10159

RAPiD-Seg: Range-Aware Pointwise Distance Distribution Networks for 3D LiDAR Segmentation

3D point clouds play a pivotal role in outdoor scene perception, especially in the context of autonomous driving. Recent advancements in 3D LiDAR segmentation often focus intensely on the spatial positioning and distribution of points for accurate segmentation. However, these methods, while robust in variable conditions, encounter challenges due to sole reliance on coordinates and point intensity, leading to poor isometric invariance and suboptimal segmentation. To tackle this challenge, our work introduces Range-Aware Pointwise Distance Distribution (RAPiD) features and the associated RAPiD-Seg architecture. Our RAPiD features exhibit rigid transformation invariance and effectively adapt to variations in point density, with a design focus on capturing the localized geometry of neighboring structures. They utilize inherent LiDAR isotropic radiation and semantic categorization for enhanced local representation and computational efficiency, while incorporating a 4D distance metric that integrates geometric and surface material reflectivity for improved semantic segmentation. To effectively embed high-dimensional RAPiD features, we propose a double-nested autoencoder structure with a novel class-aware embedding objective to encode high-dimensional features into manageable voxel-wise embeddings. Additionally, we propose RAPiD-Seg which incorporates a channel-wise attention fusion and two effective RAPiD-Seg variants, further optimizing the embedding for enhanced performance and generalization. Our method outperforms contemporary LiDAR segmentation work in terms of mIoU on SemanticKITTI (76.1) and nuScenes (83.6) datasets.

http://arxiv.org/pdf/2407.10159v1

2024-07-14T10:59:34Z

2024-07-14T10:59:34Z

2209.03885

A Framework for Evaluating Privacy-Utility Trade-off in Vertical Federated Learning

Federated learning (FL) has emerged as a practical solution to tackle data silo issues without compromising user privacy. One of its variants, vertical federated learning (VFL), has recently gained increasing attention as the VFL matches the enterprises' demands of leveraging more valuable features to build better machine learning models while preserving user privacy. Current works in VFL concentrate on developing a specific protection or attack mechanism for a particular VFL algorithm. In this work, we propose an evaluation framework that formulates the privacy-utility evaluation problem. We then use this framework as a guide to comprehensively evaluate a broad range of protection mechanisms against most of the state-of-the-art privacy attacks for three widely deployed VFL algorithms. These evaluations may help FL practitioners select appropriate protection mechanisms given specific requirements. Our evaluation results demonstrate that: the model inversion and most of the label inference attacks can be thwarted by existing protection mechanisms; the model completion (MC) attack is difficult to be prevented, which calls for more advanced MC-targeted protection mechanisms. Based on our evaluation results, we offer concrete advice on improving the privacy-preserving capability of VFL systems. The code is available at https://github.com/yankang18/VFL-Attack-Defense

http://arxiv.org/pdf/2209.03885v3

2024-07-14T10:23:56Z

2022-09-08T15:41:31Z

2405.02845

Data-Efficient Molecular Generation with Hierarchical Textual Inversion

Developing an effective molecular generation framework even with a limited number of molecules is often important for its practical deployment, e.g., drug discovery, since acquiring task-related molecular data requires expensive and time-consuming experimental costs. To tackle this issue, we introduce Hierarchical textual Inversion for Molecular generation (HI-Mol), a novel data-efficient molecular generation method. HI-Mol is inspired by the importance of hierarchical information, e.g., both coarse- and fine-grained features, in understanding the molecule distribution. We propose to use multi-level embeddings to reflect such hierarchical features based on the adoption of the recent textual inversion technique in the visual domain, which achieves data-efficient image generation. Compared to the conventional textual inversion method in the image domain using a single-level token embedding, our multi-level token embeddings allow the model to effectively learn the underlying low-shot molecule distribution. We then generate molecules based on the interpolation of the multi-level token embeddings. Extensive experiments demonstrate the superiority of HI-Mol with notable data-efficiency. For instance, on QM9, HI-Mol outperforms the prior state-of-the-art method with 50x less training data. We also show the effectiveness of molecules generated by HI-Mol in low-shot molecular property prediction.

http://arxiv.org/pdf/2405.02845v2

2024-07-14T09:36:45Z

2024-05-05T08:35:23Z

2407.10132

Optimal Kernel Choice for Score Function-based Causal Discovery

Score-based methods have demonstrated their effectiveness in discovering causal relationships by scoring different causal structures based on their goodness of fit to the data. Recently, Huang et al. proposed a generalized score function that can handle general data distributions and causal relationships by modeling the relations in reproducing kernel Hilbert space (RKHS). The selection of an appropriate kernel within this score function is crucial for accurately characterizing causal relationships and ensuring precise causal discovery. However, the current method involves manual heuristic selection of kernel parameters, making the process tedious and less likely to ensure optimality. In this paper, we propose a kernel selection method within the generalized score function that automatically selects the optimal kernel that best fits the data. Specifically, we model the generative process of the variables involved in each step of the causal graph search procedure as a mixture of independent noise variables. Based on this model, we derive an automatic kernel selection method by maximizing the marginal likelihood of the variables involved in each search step. We conduct experiments on both synthetic data and real-world benchmarks, and the results demonstrate that our proposed method outperforms heuristic kernel selection methods.

http://arxiv.org/pdf/2407.10132v1

2024-07-14T09:32:20Z

2024-07-14T09:32:20Z

2301.05712

A Survey on Self-supervised Learning: Algorithms, Applications, and Future Trends

Deep supervised learning algorithms typically require a large volume of labeled data to achieve satisfactory performance. However, the process of collecting and labeling such data can be expensive and time-consuming. Self-supervised learning (SSL), a subset of unsupervised learning, aims to learn discriminative features from unlabeled data without relying on human-annotated labels. SSL has garnered significant attention recently, leading to the development of numerous related algorithms. However, there is a dearth of comprehensive studies that elucidate the connections and evolution of different SSL variants. This paper presents a review of diverse SSL methods, encompassing algorithmic aspects, application domains, three key trends, and open research questions. Firstly, we provide a detailed introduction to the motivations behind most SSL algorithms and compare their commonalities and differences. Secondly, we explore representative applications of SSL in domains such as image processing, computer vision, and natural language processing. Lastly, we discuss the three primary trends observed in SSL research and highlight the open questions that remain. A curated collection of valuable resources can be accessed at https://github.com/guijiejie/SSL.

http://arxiv.org/pdf/2301.05712v4

2024-07-14T09:30:45Z

2023-01-13T14:41:05Z

2402.08384

Selective Learning: Towards Robust Calibration with Dynamic Regularization

Miscalibration in deep learning refers to there is a discrepancy between the predicted confidence and performance. This problem usually arises due to the overfitting problem, which is characterized by learning everything presented in the training set, resulting in overconfident predictions during testing. Existing methods typically address overfitting and mitigate the miscalibration by adding a maximum-entropy regularizer to the objective function. The objective can be understood as seeking a model that fits the ground-truth labels by increasing the confidence while also maximizing the entropy of predicted probabilities by decreasing the confidence. However, previous methods lack clear guidance on confidence adjustment, leading to conflicting objectives (increasing but also decreasing confidence). Therefore, we introduce a method called Dynamic Regularization (DReg), which aims to learn what should be learned during training thereby circumventing the confidence adjusting trade-off. At a high level, DReg aims to obtain a more reliable model capable of acknowledging what it knows and does not know. Specifically, DReg effectively fits the labels for in-distribution samples (samples that should be learned) while applying regularization dynamically to samples beyond model capabilities (e.g., outliers), thereby obtaining a robust calibrated model especially on the samples beyond model capabilities. Both theoretical and empirical analyses sufficiently demonstrate the superiority of DReg compared with previous methods.

http://arxiv.org/pdf/2402.08384v2

2024-07-14T09:12:25Z

2024-02-13T11:25:20Z

2406.00801

Ensemble Deep Random Vector Functional Link Neural Network Based on Fuzzy Inference System

The ensemble deep random vector functional link (edRVFL) neural network has demonstrated the ability to address the limitations of conventional artificial neural networks. However, since edRVFL generates features for its hidden layers through random projection, it can potentially lose intricate features or fail to capture certain non-linear features in its base models (hidden layers). To enhance the feature learning capabilities of edRVFL, we propose a novel edRVFL based on fuzzy inference system (edRVFL-FIS). The proposed edRVFL-FIS leverages the capabilities of two emerging domains, namely deep learning and ensemble approaches, with the intrinsic IF-THEN properties of fuzzy inference system (FIS) and produces rich feature representation to train the ensemble model. Each base model of the proposed edRVFL-FIS encompasses two key feature augmentation components: a) unsupervised fuzzy layer features and b) supervised defuzzified features. The edRVFL-FIS model incorporates diverse clustering methods (R-means, K-means, Fuzzy C-means) to establish fuzzy layer rules, resulting in three model variations (edRVFL-FIS-R, edRVFL-FIS-K, edRVFL-FIS-C) with distinct fuzzified features and defuzzified features. Within the framework of edRVFL-FIS, each base model utilizes the original, hidden layer and defuzzified features to make predictions. Experimental results, statistical tests, discussions and analyses conducted across UCI and NDC datasets consistently demonstrate the superior performance of all variations of the proposed edRVFL-FIS model over baseline models. The source codes of the proposed models are available at https://github.com/mtanveer1/edRVFL-FIS.

http://arxiv.org/pdf/2406.00801v2

2024-07-14T08:37:14Z

2024-06-02T17:01:44Z

2407.10115

A Bag of Tricks for Scaling CPU-based Deep FFMs to more than 300m Predictions per Second

Field-aware Factorization Machines (FFMs) have emerged as a powerful model for click-through rate prediction, particularly excelling in capturing complex feature interactions. In this work, we present an in-depth analysis of our in-house, Rust-based Deep FFM implementation, and detail its deployment on a CPU-only, multi-data-center scale. We overview key optimizations devised for both training and inference, demonstrated by previously unpublished benchmark results in efficient model search and online training. Further, we detail an in-house weight quantization that resulted in more than an order of magnitude reduction in bandwidth footprint related to weight transfers across data-centres. We disclose the engine and associated techniques under an open-source license to contribute to the broader machine learning community. This paper showcases one of the first successful CPU-only deployments of Deep FFMs at such scale, marking a significant stride in practical, low-footprint click-through rate prediction methodologies.

http://arxiv.org/pdf/2407.10115v1

2024-07-14T08:10:20Z

2024-07-14T08:10:20Z

2309.17230

Spurious Feature Diversification Improves Out-of-distribution Generalization

Generalization to out-of-distribution (OOD) data is a critical challenge in machine learning. Ensemble-based methods, like weight space ensembles that interpolate model parameters, have been shown to achieve superior OOD performance. However, the underlying mechanism for their effectiveness remains unclear. In this study, we closely examine WiSE-FT, a popular weight space ensemble method that interpolates between a pre-trained and a fine-tuned model. We observe an unexpected ``FalseFalseTrue" phenomenon, in which WiSE-FT successfully corrects many cases where each individual model makes incorrect predictions, which contributes significantly to its OOD effectiveness. To gain further insights, we conduct theoretical analysis in a multi-class setting with a large number of spurious features. Our analysis predicts the above phenomenon and it further shows that ensemble-based models reduce prediction errors in the OOD settings by utilizing a more diverse set of spurious features. Contrary to the conventional wisdom that focuses on learning invariant features for better OOD performance, our findings suggest that incorporating a large number of diverse spurious features weakens their individual contributions, leading to improved overall OOD generalization performance. Additionally, our findings provide the first explanation for the mysterious phenomenon of weight space ensembles outperforming output space ensembles in OOD. Empirically we demonstrate the effectiveness of utilizing diverse spurious features on a MultiColorMNIST dataset, and our experimental results are consistent with the theoretical analysis. Building upon the new theoretical insights into the efficacy of ensemble methods, we further propose a novel averaging method called BAlaNced averaGing (BANG) which significantly enhances the OOD performance of WiSE-FT.

http://arxiv.org/pdf/2309.17230v2

2024-07-14T08:02:49Z

2023-09-29T13:29:22Z

2407.10104

A Self-Supervised Learning Pipeline for Demographically Fair Facial Attribute Classification

Published research highlights the presence of demographic bias in automated facial attribute classification. The proposed bias mitigation techniques are mostly based on supervised learning, which requires a large amount of labeled training data for generalizability and scalability. However, labeled data is limited, requires laborious annotation, poses privacy risks, and can perpetuate human bias. In contrast, self-supervised learning (SSL) capitalizes on freely available unlabeled data, rendering trained models more scalable and generalizable. However, these label-free SSL models may also introduce biases by sampling false negative pairs, especially at low-data regimes 200K images) under low compute settings. Further, SSL-based models may suffer from performance degradation due to a lack of quality assurance of the unlabeled data sourced from the web. This paper proposes a fully self-supervised pipeline for demographically fair facial attribute classifiers. Leveraging completely unlabeled data pseudolabeled via pre-trained encoders, diverse data curation techniques, and meta-learning-based weighted contrastive learning, our method significantly outperforms existing SSL approaches proposed for downstream image classification tasks. Extensive evaluations on the FairFace and CelebA datasets demonstrate the efficacy of our pipeline in obtaining fair performance over existing baselines. Thus, setting a new benchmark for SSL in the fairness of facial attribute classification.

http://arxiv.org/pdf/2407.10104v1

2024-07-14T07:11:57Z

2024-07-14T07:11:57Z

2210.12777

Retrieval-Augmented Generation and Knowledge-Grounded Reasoning for Faithful Patient Discharge Instructions

Language models (LMs), such as ChatGPT, have the potential to assist clinicians in generating various clinical notes. However, LMs are prone to produce ``hallucinations'', i.e., generated content that is not aligned with facts and knowledge. In this paper, we propose the Re$^3$Writer method with retrieval-augmented generation and knowledge-grounded reasoning to enable LMs to generate faithful clinical texts. We demonstrate the effectiveness of our method in generating patient discharge instructions. It requires the LMs to understand the patients' long clinical documents, i.e., the health records during hospitalization, to generate critical instructional information provided both to carers and to the patient at the time of discharge. The proposed Re$^3$Writer imitates the working patterns of physicians to first retrieve related working experience from historical instructions written by physicians, then reason related medical knowledge. Finally, it refines the retrieved working experience and reasoned medical knowledge to extract useful information, which is used to generate the discharge instructions for previously-unseen patients. Our experiments show that, using our method, the performance of five different LMs can be substantially boosted across all metrics. Meanwhile, we show results from human evaluations to measure the effectiveness in terms of fluency, faithfulness, and comprehensiveness. The code is available at https://github.com/AI-in-Hospitals/Patient-Instructions

http://arxiv.org/pdf/2210.12777v3

2024-07-14T07:02:20Z

2022-10-23T16:34:39Z

2211.11214

DiffBP: Generative Diffusion of 3D Molecules for Target Protein Binding

Generating molecules that bind to specific proteins is an important but challenging task in drug discovery. Previous works usually generate atoms in an auto-regressive way, where element types and 3D coordinates of atoms are generated one by one. However, in real-world molecular systems, the interactions among atoms in an entire molecule are global, leading to the energy function pair-coupled among atoms. With such energy-based consideration, the modeling of probability should be based on joint distributions, rather than sequentially conditional ones. Thus, the unnatural sequentially auto-regressive modeling of molecule generation is likely to violate the physical rules, thus resulting in poor properties of the generated molecules. In this work, a generative diffusion model for molecular 3D structures based on target proteins as contextual constraints is established, at a full-atom level in a non-autoregressive way. Given a designated 3D protein binding site, our model learns the generative process that denoises both element types and 3D coordinates of an entire molecule, with an equivariant network. Experimentally, the proposed method shows competitive performance compared with prevailing works in terms of high affinity with proteins and appropriate molecule sizes as well as other drug properties such as drug-likeness of the generated molecules.

http://arxiv.org/pdf/2211.11214v4

2024-07-14T06:41:36Z

2022-11-21T07:02:15Z

2406.13619

Generative Modeling by Minimizing the Wasserstein-2 Loss

This paper approaches the unsupervised learning problem by minimizing the second-order Wasserstein loss (the $W_2$ loss) through a distribution-dependent ordinary differential equation (ODE), whose dynamics involves the Kantorovich potential associated with the true data distribution and a current estimate of it. A main result shows that the time-marginal laws of the ODE form a gradient flow for the $W_2$ loss, which converges exponentially to the true data distribution. An Euler scheme for the ODE is proposed and it is shown to recover the gradient flow for the $W_2$ loss in the limit. An algorithm is designed by following the scheme and applying persistent training, which naturally fits our gradient-flow approach. In both low- and high-dimensional experiments, our algorithm outperforms Wasserstein generative adversarial networks by increasing the level of persistent training appropriately.

http://arxiv.org/pdf/2406.13619v2

2024-07-14T05:54:39Z

2024-06-19T15:15:00Z

2407.10090

ReactAIvate: A Deep Learning Approach to Predicting Reaction Mechanisms and Unmasking Reactivity Hotspots

A chemical reaction mechanism (CRM) is a sequence of molecular-level events involving bond-breaking/forming processes, generating transient intermediates along the reaction pathway as reactants transform into products. Understanding such mechanisms is crucial for designing and discovering new reactions. One of the currently available methods to probe CRMs is quantum mechanical (QM) computations. The resource-intensive nature of QM methods and the scarcity of mechanism-based datasets motivated us to develop reliable ML models for predicting mechanisms. In this study, we created a comprehensive dataset with seven distinct classes, each representing uniquely characterized elementary steps. Subsequently, we developed an interpretable attention-based GNN that achieved near-unity and 96% accuracy, respectively for reaction step classification and the prediction of reactive atoms in each such step, capturing interactions between the broader reaction context and local active regions. The near-perfect classification enables accurate prediction of both individual events and the entire CRM, mitigating potential drawbacks of Seq2Seq approaches, where a wrongly predicted character leads to incoherent CRM identification. In addition to interpretability, our model adeptly identifies key atom(s) even from out-of-distribution classes. This generalizabilty allows for the inclusion of new reaction types in a modular fashion, thus will be of value to experts for understanding the reactivity of new molecules.

http://arxiv.org/pdf/2407.10090v1

2024-07-14T05:53:18Z

2024-07-14T05:53:18Z

2307.12499

AdvDiff: Generating Unrestricted Adversarial Examples using Diffusion Models

Unrestricted adversarial attacks present a serious threat to deep learning models and adversarial defense techniques. They pose severe security problems for deep learning applications because they can effectively bypass defense mechanisms. However, previous attack methods often directly inject Projected Gradient Descent (PGD) gradients into the sampling of generative models, which are not theoretically provable and thus generate unrealistic examples by incorporating adversarial objectives, especially for GAN-based methods on large-scale datasets like ImageNet. In this paper, we propose a new method, called AdvDiff, to generate unrestricted adversarial examples with diffusion models. We design two novel adversarial guidance techniques to conduct adversarial sampling in the reverse generation process of diffusion models. These two techniques are effective and stable in generating high-quality, realistic adversarial examples by integrating gradients of the target classifier interpretably. Experimental results on MNIST and ImageNet datasets demonstrate that AdvDiff is effective in generating unrestricted adversarial examples, which outperforms state-of-the-art unrestricted adversarial attack methods in terms of attack performance and generation quality.

http://arxiv.org/pdf/2307.12499v4

2024-07-14T04:48:53Z

2023-07-24T03:10:02Z

2112.06657

You Can Wash Hands Better: Accurate Daily Handwashing Assessment with Smartwatches

Hand hygiene is one of the most efficient daily actions to prevent infectious diseases, such as Influenza, Malaria, and skin infections. We have been suggested to wash our hands under professional guidelines to prevent virus infection. However, several surveys show that very few people follow this suggestion. Thus we propose UWash, a wearable solution with smartwatches, to assess handwashing procedures for the purpose of raising users' awareness and cultivating habits of high-quality handwashing. We address the task of handwashing assessment from readings of motion sensors similar to the action segmentation problem in computer vision, and propose a simple and lightweight two-stream UNet-like network to achieve it effectively. Experiments over 51 subjects show that UWash achieves an accuracy of 92.27% on handwashing gesture recognition, <0.5 seconds error on onset/offset detection, and <5 points error on gesture scoring in the user-dependent setting, and keeps promising in the user-independent evaluation and the user-independent-location-independent evaluation. UWash even performs well on 10 random passersby in a hospital 9 months later. UWash is the first work that scores the handwashing quality by gesture sequences and is instructive to guide users in promoting hand hygiene in daily life. Code and data are avaliable at https://github.com/aiotgroup/UWash

http://arxiv.org/pdf/2112.06657v2

2024-07-14T04:35:23Z

2021-12-09T12:23:06Z

2407.10070

Have ASkotch: Fast Methods for Large-scale, Memory-constrained Kernel Ridge Regression

Kernel ridge regression (KRR) is a fundamental computational tool, appearing in problems that range from computational chemistry to health analytics, with a particular interest due to its starring role in Gaussian process regression. However, it is challenging to scale KRR solvers to large datasets: with $n$ training points, a direct solver (i.e., Cholesky decomposition) uses $O(n^2)$ storage and $O(n^3)$ flops. Iterative methods for KRR, such as preconditioned conjugate gradient (PCG), avoid the cubic scaling of direct solvers and often use low-rank preconditioners; a rank $r$ preconditioner uses $O(rn)$ storage and each iteration requires $O(n^2)$ flops. To reduce the storage and iteration complexity of iterative solvers for KRR, we propose ASkotch ($textbf{A}$ccelerated $textbf{s}$calable $textbf{k}$ernel $textbf{o}$p$textbf{t}$imization using block $textbf{c}$oordinate descent with $textbf{H}$essian preconditioning). For a given block size $|b| << n$, each iteration of ASkotch uses $O(r|b| + n)$ storage and $O(n|b|)$ flops, so ASkotch scales better than Cholesky decomposition and PCG. We prove that ASkotch obtains linear convergence to the optimum, with the convergence rate depending on the square roots of the $textit{preconditioned}$ block condition numbers. Furthermore, we solve KRR problems that were considered to be impossibly large while using limited computational resources: we show that ASkotch outperforms PCG methods with respect to generalization error on large-scale KRR (up to $n = 10^8$) and KRR classification tasks (up to $n = 10^7$) while running each of our experiments on $textit{a single 12 GB Titan V GPU}$. Our work opens up the possibility of as-yet-unimagined applications of KRR across a wide range of disciplines.

http://arxiv.org/pdf/2407.10070v1

2024-07-14T04:11:10Z

2024-07-14T04:11:10Z

2402.14213

Contrastive Learning of Shared Spatiotemporal EEG Representations Across Individuals for Naturalistic Neuroscience

Neural representations induced by naturalistic stimuli offer insights into how humans respond to stimuli in daily life. Understanding neural mechanisms underlying naturalistic stimuli processing hinges on the precise identification and extraction of the shared neural patterns that are consistently present across individuals. Targeting the Electroencephalogram (EEG) technique, known for its rich spatial and temporal information, this study presents a framework for Contrastive Learning of Shared SpatioTemporal EEG Representations across individuals (CL-SSTER). CL-SSTER utilizes contrastive learning to maximize the similarity of EEG representations across individuals for identical stimuli, contrasting with those for varied stimuli. The network employed spatial and temporal convolutions to simultaneously learn the spatial and temporal patterns inherent in EEG. The versatility of CL-SSTER was demonstrated on three EEG datasets, including a synthetic dataset, a natural speech comprehension EEG dataset, and an emotional video watching EEG dataset. CL-SSTER attained the highest inter-subject correlation (ISC) values compared to the state-of-the-art ISC methods. The latent representations generated by CL-SSTER exhibited reliable spatiotemporal EEG patterns, which can be explained by properties of the naturalistic stimuli. CL-SSTER serves as an interpretable and scalable framework for the identification of inter-subject shared neural representations in naturalistic neuroscience.

http://arxiv.org/pdf/2402.14213v2

2024-07-14T03:48:28Z

2024-02-22T01:42:12Z

2407.10055

MKDTI: Predicting drug-target interactions via multiple kernel fusion on graph attention network

Drug-target relationships may now be predicted computationally using bioinformatics data, which is a valuable tool for understanding pharmacological effects, enhancing drug development efficiency, and advancing related research. A number of structure-based, ligand-based and network-based approaches have now emerged. Furthermore, the integration of graph attention networks with intricate drug target studies is an application area of growing interest. In our work, we formulate a model called MKDTI by extracting kernel information from various layer embeddings of a graph attention network. This combination improves the prediction ability with respect to novel drug-target relationships. We first build a drug-target heterogeneous network using heterogeneous data of drugs and targets, and then use a self-enhanced multi-head graph attention network to extract potential features in each layer. Next, we utilize embeddings of each layer to computationally extract kernel matrices and fuse multiple kernel matrices. Finally, we use a Dual Laplacian Regularized Least Squares framework to forecast novel drug-target entity connections. This prediction can be facilitated by integrating the kernel matrix associated with the drug-target. We measured our model's efficacy using AUPR and AUC. Compared to the benchmark algorithms, our model outperforms them in the prediction outcomes. In addition, we conducted an experiment on kernel selection. The results show that the multi-kernel fusion approach combined with the kernel matrix generated by the graph attention network provides complementary insights into the model. The fusion of this information helps to enhance the accuracy of the predictions.

http://arxiv.org/pdf/2407.10055v1

2024-07-14T02:53:25Z

2024-07-14T02:53:25Z

2404.02649

On the Importance of Uncertainty in Decision-Making with Large Language Models

We investigate the role of uncertainty in decision-making problems with natural language as input. For such tasks, using Large Language Models as agents has become the norm. However, none of the recent approaches employ any additional phase for estimating the uncertainty the agent has about the world during the decision-making task. We focus on a fundamental decision-making framework with natural language as input, which is the one of contextual bandits, where the context information consists of text. As a representative of the approaches with no uncertainty estimation, we consider an LLM bandit with a greedy policy, which picks the action corresponding to the largest predicted reward. We compare this baseline to LLM bandits that make active use of uncertainty estimation by integrating the uncertainty in a Thompson Sampling policy. We employ different techniques for uncertainty estimation, such as Laplace Approximation, Dropout, and Epinets. We empirically show on real-world data that the greedy policy performs worse than the Thompson Sampling policies. These findings suggest that, while overlooked in the LLM literature, uncertainty plays a fundamental role in bandit tasks with LLMs.

http://arxiv.org/pdf/2404.02649v2

2024-07-14T02:20:59Z

2024-04-03T11:21:23Z

2407.10042

Harnessing Feature Clustering For Enhanced Anomaly Detection With Variational Autoencoder And Dynamic Threshold

We introduce an anomaly detection method for multivariate time series data with the aim of identifying critical periods and features influencing extreme climate events like snowmelt in the Arctic. This method leverages the Variational Autoencoder (VAE) integrated with dynamic thresholding and correlation-based feature clustering. This framework enhances the VAE's ability to identify localized dependencies and learn the temporal relationships in climate data, thereby improving the detection of anomalies as demonstrated by its higher F1-score on benchmark datasets. The study's main contributions include the development of a robust anomaly detection method, improving feature representation within VAEs through clustering, and creating a dynamic threshold algorithm for localized anomaly detection. This method offers explainability of climate anomalies across different regions.

http://arxiv.org/pdf/2407.10042v1

2024-07-14T01:52:10Z

2024-07-14T01:52:10Z

2405.14016

Towards a Unified Framework for Evaluating Explanations

The challenge of creating interpretable models has been taken up by two main research communities: ML researchers primarily focused on lower-level explainability methods that suit the needs of engineers, and HCI researchers who have more heavily emphasized user-centered approaches often based on participatory design methods. This paper reviews how these communities have evaluated interpretability, identifying overlaps and semantic misalignments. We propose moving towards a unified framework of evaluation criteria and lay the groundwork for such a framework by articulating the relationships between existing criteria. We argue that explanations serve as mediators between models and stakeholders, whether for intrinsically interpretable models or opaque black-box models analyzed via post-hoc techniques. We further argue that useful explanations require both faithfulness and intelligibility. Explanation plausibility is a prerequisite for intelligibility, while stability is a prerequisite for explanation faithfulness. We illustrate these criteria, as well as specific evaluation methods, using examples from an ongoing study of an interpretable neural network for predicting a particular learner behavior.

http://arxiv.org/pdf/2405.14016v2

2024-07-14T01:11:22Z

2024-05-22T21:49:28Z

2407.10032

LeanQuant: Accurate Large Language Model Quantization with Loss-Error-Aware Grid

Large language models (LLMs) have numerous applications across various domains, but their high computational and memory demands pose significant deployment challenges. Weight quantization is an effective technique for reducing the decoding latency and memory requirements of LLMs. Existing approaches primarily aim to maintain the quality of quantized models by preserving outliers in input features, but they still suffer significant quality loss at lower bit widths. Our approach builds on Optimal Brain Quantization (OBQ), an iterative weight-update-based quantization framework. We identify a key limitation of OBQ, specifically that its uniform quantization grid is suboptimal for maintaining model quality, as it introduces large errors to the task loss. To address this, we propose LeanQuant, which learns a loss-error-aware quantization grid by leveraging the inverse diagonal Hessian. Extensive empirical evaluations demonstrate that LeanQuant is both efficient and accurate; it can quantize a 70-billion-parameter model in 6 hours using a single 32GB GPU and performs favorably compared to competitive baselines in the 4-bit, 3-bit, and 2-bit regions.

http://arxiv.org/pdf/2407.10032v1

2024-07-14T00:23:51Z

2024-07-14T00:23:51Z

2407.06245

ORAN-Bench-13K: An Open Source Benchmark for Assessing LLMs in Open Radio Access Networks

Large Language Models (LLMs) can revolutionize how we deploy and operate Open Radio Access Networks (O-RAN) by enhancing network analytics, anomaly detection, and code generation and significantly increasing the efficiency and reliability of a plethora of O-RAN tasks. In this paper, we present ORAN-Bench-13K, the first comprehensive benchmark designed to evaluate the performance of Large Language Models (LLMs) within the context of O-RAN. Our benchmark consists of 13,952 meticulously curated multiple-choice questions generated from 116 O-RAN specification documents. We leverage a novel three-stage LLM framework, and the questions are categorized into three distinct difficulties to cover a wide spectrum of ORAN-related knowledge. We thoroughly evaluate the performance of several state-of-the-art LLMs, including Gemini, Chat-GPT, and Mistral. Additionally, we propose ORANSight, a Retrieval-Augmented Generation (RAG)-based pipeline that demonstrates superior performance on ORAN-Bench-13K compared to other tested closed-source models. Our findings indicate that current popular LLM models are not proficient in O-RAN, highlighting the need for specialized models. We observed a noticeable performance improvement when incorporating the RAG-based ORANSight pipeline, with a Macro Accuracy of 0.784 and a Weighted Accuracy of 0.776, which was on average 21.55% and 22.59% better than the other tested LLMs.

http://arxiv.org/pdf/2407.06245v2

2024-07-13T22:48:44Z

2024-07-08T13:07:50Z

2407.10011

Sim-to-Real Domain Adaptation for Deformation Classification

Deformation detection is vital for enabling accurate assessment and prediction of structural changes in materials, ensuring timely and effective interventions to maintain safety and integrity. Automating deformation detection through computer vision is crucial for efficient monitoring, but it faces significant challenges in creating a comprehensive dataset of both deformed and non-deformed objects, which can be difficult to obtain in many scenarios. In this paper, we introduce a novel framework for generating controlled synthetic data that simulates deformed objects. This approach allows for the realistic modeling of object deformations under various conditions. Our framework integrates an intelligent adapter network that facilitates sim-to-real domain adaptation, enhancing classification results without requiring real data from deformed objects. We conduct experiments on domain adaptation and classification tasks and demonstrate that our framework improves sim-to-real classification results compared to simulation baseline.

http://arxiv.org/pdf/2407.10011v1

2024-07-13T21:35:13Z

2024-07-13T21:35:13Z

2407.07346

INSIGHT: Universal Neural Simulator for Analog Circuits Harnessing Autoregressive Transformers

Analog front-end design heavily relies on specialized human expertise and costly trial-and-error simulations, which motivated many prior works on analog design automation. However, efficient and effective exploration of the vast and complex design space remains constrained by the time-consuming nature of SPICE simulations, making effective design automation a challenging endeavor. In this paper, we introduce INSIGHT, a GPU-powered, technology-agnostic, effective universal neural simulator in the analog front-end design automation loop. INSIGHT accurately predicts the performance metrics of analog circuits across various technologies with just a few microseconds of inference time. Notably, its autoregressive capabilities enable INSIGHT to accurately predict simulation-costly critical transient specifications leveraging less expensive performance metric information. The low cost and high fidelity feature make INSIGHT a good substitute for standard simulators in analog front-end optimization frameworks. INSIGHT is compatible with any optimization framework, facilitating enhanced design space exploration for sample efficiency through sophisticated offline learning and adaptation techniques. Our experiments demonstrate that INSIGHT-M, a model-based batch reinforcement learning sizing framework with INSIGHT as the accurate surrogate, only requires < 20 real-time simulations with 100-1000x lower simulation costs and significant speedup over existing sizing methods.

http://arxiv.org/pdf/2407.07346v2

2024-07-13T21:29:36Z

2024-07-10T03:52:53Z

2407.10005

Fine-grained Analysis of In-context Linear Estimation: Data, Architecture, and Beyond

Recent research has shown that Transformers with linear attention are capable of in-context learning (ICL) by implementing a linear estimator through gradient descent steps. However, the existing results on the optimization landscape apply under stylized settings where task and feature vectors are assumed to be IID and the attention weights are fully parameterized. In this work, we develop a stronger characterization of the optimization and generalization landscape of ICL through contributions on architectures, low-rank parameterization, and correlated designs: (1) We study the landscape of 1-layer linear attention and 1-layer H3, a state-space model. Under a suitable correlated design assumption, we prove that both implement 1-step preconditioned gradient descent. We show that thanks to its native convolution filters, H3 also has the advantage of implementing sample weighting and outperforming linear attention in suitable settings. (2) By studying correlated designs, we provide new risk bounds for retrieval augmented generation (RAG) and task-feature alignment which reveal how ICL sample complexity benefits from distributional alignment. (3) We derive the optimal risk for low-rank parameterized attention weights in terms of covariance spectrum. Through this, we also shed light on how LoRA can adapt to a new distribution by capturing the shift between task covariances. Experimental results corroborate our theoretical findings. Overall, this work explores the optimization and risk landscape of ICL in practically meaningful settings and contributes to a more thorough understanding of its mechanics.

http://arxiv.org/pdf/2407.10005v1

2024-07-13T21:13:55Z

2024-07-13T21:13:55Z

2406.02061

Alice in Wonderland: Simple Tasks Showing Complete Reasoning Breakdown in State-Of-the-Art Large Language Models

Large Language Models (LLMs) are often described as being instances of foundation models - that is, models that transfer strongly across various tasks and conditions in few-show or zero-shot manner, while exhibiting scaling laws that predict function improvement when increasing the pre-training scale. These claims of excelling in different functions and tasks rely on measurements taken across various sets of standardized benchmarks showing high scores for such models. We demonstrate here a dramatic breakdown of function and reasoning capabilities of state-of-the-art models trained at the largest available scales which claim strong function, using a simple, short, conventional common sense problem (AIW problem) formulated in concise natural language, easily solvable by humans. The breakdown is dramatic, as models show strong fluctuations across even slight problem variations that should not affect problem solving, also expressing strong overconfidence in the wrong solutions, often backed up by plausible sounding explanation-like confabulations. Various standard interventions in an attempt to get the right solution, like various type of enhanced prompting, or urging the models to reconsider the wrong solutions again by multi step re-evaluation, fail. We take these initial observations to the scientific and technological community to stimulate urgent re-assessment of the claimed capabilities of current generation of LLMs. Such re-assessment also requires common action to create standardized benchmarks that would allow proper detection of such basic reasoning deficits that obviously manage to remain undiscovered by current state-of-the-art evaluation procedures and benchmarks. Code for reproducing experiments in the paper and raw experiments data can be found at https://github.com/LAION-AI/AIW

http://arxiv.org/pdf/2406.02061v4

2024-07-13T21:02:21Z

2024-06-04T07:43:33Z

2407.10003

A Dynamic Algorithm for Weighted Submodular Cover Problem

We initiate the study of the submodular cover problem in dynamic setting where the elements of the ground set are inserted and deleted. In the classical submodular cover problem, we are given a monotone submodular function $f : 2^{V} to mathbb{R}^{ge 0}$ and the goal is to obtain a set $S subseteq V$ that minimizes the cost subject to the constraint $f(S) = f(V)$. This is a classical problem in computer science and generalizes the Set Cover problem, 2-Set Cover, and dominating set problem among others. We consider this problem in a dynamic setting where there are updates to our set $V$, in the form of insertions and deletions of elements from a ground set $mathcal{V}$, and the goal is to maintain an approximately optimal solution with low query complexity per update. For this problem, we propose a randomized algorithm that, in expectation, obtains a $(1-O(epsilon), O(epsilon^{-1}))$-bicriteria approximation using polylogarithmic query complexity per update.

http://arxiv.org/pdf/2407.10003v1

2024-07-13T21:00:41Z

2024-07-13T21:00:41Z

2407.10000

On Characterizing and Mitigating Imbalances in Multi-Instance Partial Label Learning

Multi-Instance Partial Label Learning (MI-PLL) is a weakly-supervised learning setting encompassing partial label learning, latent structural learning, and neurosymbolic learning. Differently from supervised learning, in MI-PLL, the inputs to the classifiers at training-time are tuples of instances $textbf{x}$, while the supervision signal is generated by a function $sigma$ over the gold labels of $textbf{x}$. The gold labels are hidden during training. In this paper, we focus on characterizing and mitigating learning imbalances, i.e., differences in the errors occurring when classifying instances of different classes (aka class-specific risks), under MI-PLL. The phenomenon of learning imbalances has been extensively studied in the context of long-tail learning; however, the nature of MI-PLL introduces new challenges. Our contributions are as follows. From a theoretical perspective, we characterize the learning imbalances by deriving class-specific risk bounds that depend upon the function $sigma$. Our theory reveals that learning imbalances exist in MI-PLL even when the hidden labels are uniformly distributed. On the practical side, we introduce a technique for estimating the marginal of the hidden labels using only MI-PLL data. Then, we introduce algorithms that mitigate imbalances at training- and testing-time, by treating the marginal of the hidden labels as a constraint. The first algorithm relies on a novel linear programming formulation of MI-PLL for pseudo-labeling. The second one adjusts a model's scores based on robust optimal transport. We demonstrate the effectiveness of our techniques using strong neurosymbolic and long-tail learning baselines, discussing also open challenges.

http://arxiv.org/pdf/2407.10000v1

2024-07-13T20:56:34Z

2024-07-13T20:56:34Z

2306.13796

On Learning Latent Models with Multi-Instance Weak Supervision

We consider a weakly supervised learning scenario where the supervision signal is generated by a transition function $sigma$ of labels associated with multiple input instances. We formulate this problem as emph{multi-instance Partial Label Learning (multi-instance PLL)}, which is an extension to the standard PLL problem. Our problem is met in different fields, including latent structural learning and neuro-symbolic integration. Despite the existence of many learning techniques, limited theoretical analysis has been dedicated to this problem. In this paper, we provide the first theoretical study of multi-instance PLL with possibly an unknown transition $sigma$. Our main contributions are as follows. Firstly, we propose a necessary and sufficient condition for the learnability of the problem. This condition non-trivially generalizes and relaxes the existing small ambiguity degree in the PLL literature, since we allow the transition to be deterministic. Secondly, we derive Rademacher-style error bounds based on a top-$k$ surrogate loss that is widely used in the neuro-symbolic literature. Furthermore, we conclude with empirical experiments for learning under unknown transitions. The empirical results align with our theoretical findings; however, they also expose the issue of scalability in the weak supervision literature.

http://arxiv.org/pdf/2306.13796v2

2024-07-13T20:22:16Z

2023-06-23T22:05:08Z

2407.09994

Distributed computing for physics-based data-driven reduced modeling at scale: Application to a rotating detonation rocket engine

High-performance computing (HPC) has revolutionized our ability to perform detailed simulations of complex real-world processes. A prominent contemporary example is from aerospace propulsion, where HPC is used for rotating detonation rocket engine (RDRE) simulations in support of the design of next-generation rocket engines; however, these simulations take millions of core hours even on powerful supercomputers, which makes them impractical for engineering tasks like design exploration and risk assessment. Reduced-order models (ROMs) address this limitation by constructing computationally cheap yet sufficiently accurate approximations that serve as surrogates for the high-fidelity model. This paper contributes a new distributed algorithm that achieves fast and scalable construction of predictive physics-based ROMs trained from sparse datasets of extremely large state dimension. The algorithm learns structured physics-based ROMs that approximate the dynamical systems underlying those datasets. This enables model reduction for problems at a scale and complexity that exceeds the capabilities of existing approaches. We demonstrate our algorithm's scalability using up to $2,048$ cores on the Frontera supercomputer at the Texas Advanced Computing Center. We focus on a real-world three-dimensional RDRE for which one millisecond of simulated physical time requires one million core hours on a supercomputer. Using a training dataset of $2,536$ snapshots each of state dimension $76$ million, our distributed algorithm enables the construction of a predictive data-driven reduced model in just $13$ seconds on $2,048$ cores on Frontera.

http://arxiv.org/pdf/2407.09994v1

2024-07-13T20:17:41Z

2024-07-13T20:17:41Z

2110.10117

Beyond Exact Gradients: Convergence of Stochastic Soft-Max Policy Gradient Methods with Entropy Regularization

Entropy regularization is an efficient technique for encouraging exploration and preventing a premature convergence of (vanilla) policy gradient methods in reinforcement learning (RL). However, the theoretical understanding of entropy-regularized RL algorithms has been limited. In this paper, we revisit the classical entropy regularized policy gradient methods with the soft-max policy parametrization, whose convergence has so far only been established assuming access to exact gradient oracles. To go beyond this scenario, we propose the first set of (nearly) unbiased stochastic policy gradient estimators with trajectory-level entropy regularization, with one being an unbiased visitation measure-based estimator and the other one being a nearly unbiased yet more practical trajectory-based estimator. We prove that although the estimators themselves are unbounded in general due to the additional logarithmic policy rewards introduced by the entropy term, the variances are uniformly bounded. We then propose a two-phase stochastic policy gradient (PG) algorithm that uses a large batch size in the first phase to overcome the challenge of the stochastic approximation due to the non-coercive landscape, and uses a small batch size in the second phase by leveraging the curvature information around the optimal policy. We establish a global optimality convergence result and a sample complexity of $widetilde{mathcal{O}}(frac{1}{epsilon^2})$ for the proposed algorithm. Our result is the first global convergence and sample complexity results for the stochastic entropy-regularized vanilla PG method.

http://arxiv.org/pdf/2110.10117v3

2024-07-13T20:15:46Z

2021-10-19T17:21:09Z

2405.11344

LiPost: Improved Content Understanding With Effective Use of Multi-task Contrastive Learning

In enhancing LinkedIn core content recommendation models, a significant challenge lies in improving their semantic understanding capabilities. This paper addresses the problem by leveraging multi-task learning, a method that has shown promise in various domains. We fine-tune a pre-trained, transformer-based LLM using multi-task contrastive learning with data from a diverse set of semantic labeling tasks. We observe positive transfer, leading to superior performance across all tasks when compared to training independently on each. Our model outperforms the baseline on zero shot learning and offers improved multilingual support, highlighting its potential for broader application. The specialized content embeddings produced by our model outperform generalized embeddings offered by OpenAI on Linkedin dataset and tasks. This work provides a robust foundation for vertical teams across LinkedIn to customize and fine-tune the LLM to their specific applications. Our work offers insights and best practices for the field to build on.

http://arxiv.org/pdf/2405.11344v3

2024-07-13T20:00:31Z

2024-05-18T17:28:29Z

2404.00411

Aardvark weather: end-to-end data-driven weather forecasting

Weather forecasting is critical for a range of human activities including transportation, agriculture, industry, as well as the safety of the general public. Machine learning models have the potential to transform the complex weather prediction pipeline, but current approaches still rely on numerical weather prediction (NWP) systems, limiting forecast speed and accuracy. Here we demonstrate that a machine learning model can replace the entire operational NWP pipeline. Aardvark Weather, an end-to-end data-driven weather prediction system, ingests raw observations and outputs global gridded forecasts and local station forecasts. Further, it can be optimised end-to-end to maximise performance over quantities of interest. Global forecasts outperform an operational NWP baseline for multiple variables and lead times. Local station forecasts are skillful up to ten days lead time and achieve comparable and often lower errors than a post-processed global NWP baseline and a state-of-the-art end-to-end forecasting system with input from human forecasters. These forecasts are produced with a remarkably simple neural process model using just 8% of the input data and three orders of magnitude less compute than existing NWP and hybrid AI-NWP methods. We anticipate that Aardvark Weather will be the starting point for a new generation of end-to-end machine learning models for medium-range forecasting that will reduce computational costs by orders of magnitude and enable the rapid and cheap creation of bespoke models for users in a variety of fields, including for the developing world where state-of-the-art local models are not currently available.

http://arxiv.org/pdf/2404.00411v3

2024-07-13T19:58:08Z

2024-03-30T16:41:24Z

2406.10416

Byzantine-Robust Decentralized Federated Learning

Federated learning (FL) enables multiple clients to collaboratively train machine learning models without revealing their private training data. In conventional FL, the system follows the server-assisted architecture (server-assisted FL), where the training process is coordinated by a central server. However, the server-assisted FL framework suffers from poor scalability due to a communication bottleneck at the server, and trust dependency issues. To address challenges, decentralized federated learning (DFL) architecture has been proposed to allow clients to train models collaboratively in a serverless and peer-to-peer manner. However, due to its fully decentralized nature, DFL is highly vulnerable to poisoning attacks, where malicious clients could manipulate the system by sending carefully-crafted local models to their neighboring clients. To date, only a limited number of Byzantine-robust DFL methods have been proposed, most of which are either communication-inefficient or remain vulnerable to advanced poisoning attacks. In this paper, we propose a new algorithm called BALANCE (Byzantine-robust averaging through local similarity in decentralization) to defend against poisoning attacks in DFL. In BALANCE, each client leverages its own local model as a similarity reference to determine if the received model is malicious or benign. We establish the theoretical convergence guarantee for BALANCE under poisoning attacks in both strongly convex and non-convex settings. Furthermore, the convergence rate of BALANCE under poisoning attacks matches those of the state-of-the-art counterparts in Byzantine-free settings. Extensive experiments also demonstrate that BALANCE outperforms existing DFL methods and effectively defends against poisoning attacks.

http://arxiv.org/pdf/2406.10416v4

2024-07-13T19:29:16Z

2024-06-14T21:28:37Z

2407.09986

Curriculum Is More Influential Than Haptic Information During Reinforcement Learning of Object Manipulation Against Gravity

Learning to lift and rotate objects with the fingertips is necessary for autonomous in-hand dexterous manipulation. In our study, we explore the impact of various factors on successful learning strategies for this task. Specifically, we investigate the role of curriculum learning and haptic feedback in enabling the learning of dexterous manipulation. Using model-free Reinforcement Learning, we compare different curricula and two haptic information modalities (No-tactile vs. 3D-force sensing) for lifting and rotating a ball against gravity with a three-fingered simulated robotic hand with no visual input. Note that our best results were obtained when we used a novel curriculum-based learning rate scheduler, which adjusts the linearly-decaying learning rate when the reward is changed as it accelerates convergence to higher rewards. Our findings demonstrate that the choice of curriculum greatly biases the acquisition of different features of dexterous manipulation. Surprisingly, successful learning can be achieved even in the absence of tactile feedback, challenging conventional assumptions about the necessity of haptic information for dexterous manipulation tasks. We demonstrate the generalizability of our results to balls of different weights and sizes, underscoring the robustness of our learning approach. This work, therefore, emphasizes the importance of the choice curriculum and challenges long-held notions about the need for tactile information to autonomously learn in-hand dexterous manipulation.

http://arxiv.org/pdf/2407.09986v1

2024-07-13T19:23:11Z

2024-07-13T19:23:11Z

2407.09985

A Training Data Recipe to Accelerate A* Search with Language Models

Recent works in AI planning have proposed to combine LLMs with iterative tree-search algorithms like A* and MCTS, where LLMs are typically used to calculate the heuristic, guiding the planner towards the goal. However, combining these techniques is not trivial : LM-based heuristics are quite weak, incurring a high computational cost without a significant performance improvement. Existing methods to learn these heuristics do not consider the requirements of the planner, and typically need a lot of compute. Thus, in this work, we propose a distribution to downsample training data by identifying relevant data points to learn a performant heuristic, while constraining computational costs. To arrive at this model, we disentangle the requirements of the planner, in our case A* search, from that of the language model to generalise on this task. Surprisingly, we find an overlap between their requirements; A* requires more accurate predictions on nodes near the goal, and LMs need the same set of nodes for effective generalisation. With these insights, we can quantify the contribution of each node towards accelerating A* search, and subsequently derive a training distribution for learning LM-based heuristics. Following a recent work, we conduct our experiments on two classical planning domains, maze navigation and sokoban, with two test splits per domain, and two conventional loss functions. We reduce the number of iterations required to find the solutions by upto 13x, with a wall-clock speed-up of upto 5x.

http://arxiv.org/pdf/2407.09985v1

2024-07-13T19:21:44Z

2024-07-13T19:21:44Z

2407.09972

Harvesting Private Medical Images in Federated Learning Systems with Crafted Models

Federated learning (FL) allows a set of clients to collaboratively train a machine-learning model without exposing local training samples. In this context, it is considered to be privacy-preserving and hence has been adopted by medical centers to train machine-learning models over private data. However, in this paper, we propose a novel attack named MediLeak that enables a malicious parameter server to recover high-fidelity patient images from the model updates uploaded by the clients. MediLeak requires the server to generate an adversarial model by adding a crafted module in front of the original model architecture. It is published to the clients in the regular FL training process and each client conducts local training on it to generate corresponding model updates. Then, based on the FL protocol, the model updates are sent back to the server and our proposed analytical method recovers private data from the parameter updates of the crafted module. We provide a comprehensive analysis for MediLeak and show that it can successfully break the state-of-the-art cryptographic secure aggregation protocols, designed to protect the FL systems from privacy inference attacks. We implement MediLeak on the MedMNIST and COVIDx CXR-4 datasets. The results show that MediLeak can nearly perfectly recover private images with high recovery rates and quantitative scores. We further perform downstream tasks such as disease classification with the recovered data, where our results show no significant performance degradation compared to using the original training samples.

http://arxiv.org/pdf/2407.09972v1

2024-07-13T18:31:35Z

2024-07-13T18:31:35Z

2310.02219

What do we learn from a large-scale study of pre-trained visual representations in sim and real environments?

We present a large empirical investigation on the use of pre-trained visual representations (PVRs) for training downstream policies that execute real-world tasks. Our study involves five different PVRs, each trained for five distinct manipulation or indoor navigation tasks. We performed this evaluation using three different robots and two different policy learning paradigms. From this effort, we can arrive at three insights: 1) the performance trends of PVRs in the simulation are generally indicative of their trends in the real world, 2) the use of PVRs enables a first-of-its-kind result with indoor ImageNav (zero-shot transfer to a held-out scene in the real world), and 3) the benefits from variations in PVRs, primarily data-augmentation and fine-tuning, also transfer to the real-world performance. See project website for additional details and visuals.

http://arxiv.org/pdf/2310.02219v2

2024-07-13T18:18:09Z

2023-10-03T17:27:10Z

2310.06684

Learning Multiplex Representations on Text-Attributed Graphs with One Language Model Encoder

In real-world scenarios, texts in a graph are often linked by multiple semantic relations (e.g., papers in an academic graph are referenced by other publications, written by the same author, or published in the same venue), where text documents and their relations form a multiplex text-attributed graph. Mainstream text representation learning methods use pretrained language models (PLMs) to generate one embedding for each text unit, expecting that all types of relations between texts can be captured by these single-view embeddings. However, this presumption does not hold particularly in multiplex text-attributed graphs. Along another line of work, multiplex graph neural networks (GNNs) directly initialize node attributes as a feature vector for node representation learning, but they cannot fully capture the semantics of the nodes' associated texts. To bridge these gaps, we propose METAG, a new framework for learning Multiplex rEpresentations on Text-Attributed Graphs. In contrast to existing methods, METAG uses one text encoder to model the shared knowledge across relations and leverages a small number of parameters per relation to derive relation-specific representations. This allows the encoder to effectively capture the multiplex structures in the graph while also preserving parameter efficiency. We conduct experiments on nine downstream tasks in five graphs from both academic and e-commerce domains, where METAG outperforms baselines significantly and consistently. The code is available at https://github.com/PeterGriffinJin/METAG.

http://arxiv.org/pdf/2310.06684v2

2024-07-13T17:43:09Z

2023-10-10T14:59:22Z

2402.03495

Partially Stochastic Infinitely Deep Bayesian Neural Networks

In this paper, we present Partially Stochastic Infinitely Deep Bayesian Neural Networks, a novel family of architectures that integrates partial stochasticity into the framework of infinitely deep neural networks. Our new class of architectures is designed to improve the computational efficiency of existing architectures at training and inference time. To do this, we leverage the advantages of partial stochasticity in the infinite-depth limit which include the benefits of full stochasticity e.g. robustness, uncertainty quantification, and memory efficiency, whilst improving their limitations around computational complexity. We present a variety of architectural configurations, offering flexibility in network design including different methods for weight partition. We also provide mathematical guarantees on the expressivity of our models by establishing that our network family qualifies as Universal Conditional Distribution Approximators. Lastly, empirical evaluations across multiple tasks show that our proposed architectures achieve better downstream task performance and uncertainty quantification than their counterparts while being significantly more efficient. The code can be found at url{https://github.com/Sergio20f/part_stoch_inf_deep}

http://arxiv.org/pdf/2402.03495v4

2024-07-13T17:27:30Z

2024-02-05T20:15:19Z

2407.09950

PSO Fuzzy XGBoost Classifier Boosted with Neural Gas Features on EEG Signals in Emotion Recognition

Emotion recognition is the technology-driven process of identifying and categorizing human emotions from various data sources, such as facial expressions, voice patterns, body motion, and physiological signals, such as EEG. These physiological indicators, though rich in data, present challenges due to their complexity and variability, necessitating sophisticated feature selection and extraction methods. NGN, an unsupervised learning algorithm, effectively adapts to input spaces without predefined grid structures, improving feature extraction from physiological data. Furthermore, the incorporation of fuzzy logic enables the handling of fuzzy data by introducing reasoning that mimics human decision-making. The combination of PSO with XGBoost aids in optimizing model performance through efficient hyperparameter tuning and decision process optimization. This study explores the integration of Neural-Gas Network (NGN), XGBoost, Particle Swarm Optimization (PSO), and fuzzy logic to enhance emotion recognition using physiological signals. Our research addresses three critical questions concerning the improvement of XGBoost with PSO and fuzzy logic, NGN's effectiveness in feature selection, and the performance comparison of the PSO-fuzzy XGBoost classifier with standard benchmarks. Acquired results indicate that our methodologies enhance the accuracy of emotion recognition systems and outperform other feature selection techniques using the majority of classifiers, offering significant implications for both theoretical advancement and practical application in emotion recognition technology.

http://arxiv.org/pdf/2407.09950v1

2024-07-13T17:15:23Z

2024-07-13T17:15:23Z

2306.06955

A Brief Review of Hypernetworks in Deep Learning

Hypernetworks, or hypernets for short, are neural networks that generate weights for another neural network, known as the target network. They have emerged as a powerful deep learning technique that allows for greater flexibility, adaptability, dynamism, faster training, information sharing, and model compression. Hypernets have shown promising results in a variety of deep learning problems, including continual learning, causal inference, transfer learning, weight pruning, uncertainty quantification, zero-shot learning, natural language processing, and reinforcement learning. Despite their success across different problem settings, there is currently no comprehensive review available to inform researchers about the latest developments and to assist in utilizing hypernets. To fill this gap, we review the progress in hypernets. We present an illustrative example of training deep neural networks using hypernets and propose categorizing hypernets based on five design criteria: inputs, outputs, variability of inputs and outputs, and the architecture of hypernets. We also review applications of hypernets across different deep learning problem settings, followed by a discussion of general scenarios where hypernets can be effectively employed. Finally, we discuss the challenges and future directions that remain underexplored in the field of hypernets. We believe that hypernetworks have the potential to revolutionize the field of deep learning. They offer a new way to design and train neural networks, and they have the potential to improve the performance of deep learning models on a variety of tasks. Through this review, we aim to inspire further advancements in deep learning through hypernetworks.

http://arxiv.org/pdf/2306.06955v3

2024-07-13T16:54:28Z

2023-06-12T08:37:38Z

2407.09941

Hydra: Bidirectional State Space Models Through Generalized Matrix Mixers

A wide array of sequence models are built on a framework modeled after Transformers, comprising alternating sequence mixer and channel mixer layers. This paper studies a unifying matrix mixer view of sequence mixers that can be conceptualized as a linear map on the input sequence. This framework encompasses a broad range of well-known sequence models, including the self-attention of Transformers as well as recent strong alternatives such as structured state space models (SSMs), and allows understanding downstream characteristics such as efficiency and expressivity through properties of their structured matrix class. We identify a key axis of matrix parameterizations termed sequence alignment, which increases the flexibility and performance of matrix mixers, providing insights into the strong performance of Transformers and recent SSMs such as Mamba. Furthermore, the matrix mixer framework offers a systematic approach to developing sequence mixers with desired properties, allowing us to develop several new sub-quadratic sequence models. In particular, we propose a natural bidirectional extension of the Mamba model (Hydra), parameterized as a quasiseparable matrix mixer, which demonstrates superior performance over other sequence models including Transformers on non-causal tasks. As a drop-in replacement for attention layers, Hydra outperforms BERT by 0.8 points on the GLUE benchmark and ViT by 2% Top-1 accuracy on ImageNet.

http://arxiv.org/pdf/2407.09941v1

2024-07-13T16:34:18Z

2024-07-13T16:34:18Z

2312.12604

An empirical study of testing machine learning in the wild

Recently, machine and deep learning (ML/DL) algorithms have been increasingly adopted in many software systems. Due to their inductive nature, ensuring the quality of these systems remains a significant challenge for the research community. Unlike traditional software built deductively by writing explicit rules, ML/DL systems infer rules from training data. Recent research in ML/DL quality assurance has adapted concepts from traditional software testing, such as mutation testing, to improve reliability. However, it is unclear if these proposed testing techniques are adopted in practice, or if new testing strategies have emerged from real-world ML deployments. There is little empirical evidence about the testing strategies. To fill this gap, we perform the first fine-grained empirical study on ML testing in the wild to identify the ML properties being tested, the testing strategies, and their implementation throughout the ML workflow. We conducted a mixed-methods study to understand ML software testing practices. We analyzed test files and cases from 11 open-source ML/DL projects on GitHub. Using open coding, we manually examined the testing strategies, tested ML properties, and implemented testing methods to understand their practical application in building and releasing ML/DL software systems. Our findings reveal several key insights: 1.) The most common testing strategies, accounting for less than 40%, are Grey-box and White-box methods, such as Negative Testing, Oracle Approximation and Statistical Testing. 2.) A wide range of 17 ML properties are tested, out of which only 20% to 30% are frequently tested, including Consistency, Correctness}, and Efficiency. 3.) Bias and Fairness is more tested in Recommendation, while Security & Privacy is tested in Computer Vision (CV) systems, Application Platforms, and Natural Language Processing (NLP) systems.

http://arxiv.org/pdf/2312.12604v2

2024-07-13T16:22:23Z

2023-12-19T21:18:14Z

2407.09930

Evaluating the Impact of Different Quantum Kernels on the Classification Performance of Support Vector Machine Algorithm: A Medical Dataset Application

The support vector machine algorithm with a quantum kernel estimator (QSVM-Kernel), as a leading example of a quantum machine learning technique, has undergone significant advancements. Nevertheless, its integration with classical data presents unique challenges. While quantum computers primarily interact with data in quantum states, embedding classical data into quantum states using feature mapping techniques is essential for leveraging quantum algorithms Despite the recognized importance of feature mapping, its specific impact on data classification outcomes remains largely unexplored. This study addresses this gap by comprehensively assessing the effects of various feature mapping methods on classification results, taking medical data analysis as a case study. In this study, the QSVM-Kernel method was applied to classification problems in two different and publicly available medical datasets, namely, the Wisconsin Breast Cancer (original) and The Cancer Genome Atlas (TCGA) Glioma datasets. In the QSVM-Kernel algorithm, quantum kernel matrices obtained from 9 different quantum feature maps were used. Thus, the effects of these quantum feature maps on the classification results of the QSVM-Kernel algorithm were examined in terms of both classifier performance and total execution time. As a result, in the Wisconsin Breast Cancer (original) and TCGA Glioma datasets, when Rx and Ry rotational gates were used, respectively, as feature maps in the QSVM-Kernel algorithm, the best classification performances were achieved both in terms of classification performance and total execution time. The contributions of this study are that (1) it highlights the significant impact of feature mapping techniques on medical data classification outcomes using the QSVM-Kernel algorithm, and (2) it also guides undertaking research for improved QSVM classification performance.

http://arxiv.org/pdf/2407.09930v1

2024-07-13T15:53:37Z

2024-07-13T15:53:37Z

2405.20777

Black-Box Detection of Language Model Watermarks

Watermarking has emerged as a promising way to detect LLM-generated text. To apply a watermark an LLM provider, given a secret key, augments generations with a signal that is later detectable by any party with the same key. Recent work has proposed three main families of watermarking schemes, two of which focus on the property of preserving the LLM distribution. This is motivated by it being a tractable proxy for maintaining LLM capabilities, but also by the idea that concealing a watermark deployment makes it harder for malicious actors to hide misuse by avoiding a certain LLM or attacking its watermark. Yet, despite much discourse around detectability, no prior work has investigated if any of these scheme families are detectable in a realistic black-box setting. We tackle this for the first time, developing rigorous statistical tests to detect the presence of all three most popular watermarking scheme families using only a limited number of black-box queries. We experimentally confirm the effectiveness of our methods on a range of schemes and a diverse set of open-source models. Our findings indicate that current watermarking schemes are more detectable than previously believed, and that obscuring the fact that a watermark was deployed may not be a viable way for providers to protect against adversaries. We further apply our methods to test for watermark presence behind the most popular public APIs: GPT4, Claude 3, Gemini 1.0 Pro, finding no strong evidence of a watermark at this point in time.

http://arxiv.org/pdf/2405.20777v2

2024-07-13T15:47:35Z

2024-05-28T08:41:30Z

2407.09926

Metric Learning for Clifford Group Equivariant Neural Networks

Clifford Group Equivariant Neural Networks (CGENNs) leverage Clifford algebras and multivectors as an alternative approach to incorporating group equivariance to ensure symmetry constraints in neural representations. In principle, this formulation generalizes to orthogonal groups and preserves equivariance regardless of the metric signature. However, previous works have restricted internal network representations to Euclidean or Minkowski (pseudo-)metrics, handpicked depending on the problem at hand. In this work, we propose an alternative method that enables the metric to be learned in a data-driven fashion, allowing the CGENN network to learn more flexible representations. Specifically, we populate metric matrices fully, ensuring they are symmetric by construction, and leverage eigenvalue decomposition to integrate this additional learnable component into the original CGENN formulation in a principled manner. Additionally, we motivate our method using insights from category theory, which enables us to explain Clifford algebras as a categorical construction and guarantee the mathematical soundness of our approach. We validate our method in various tasks and showcase the advantages of learning more flexible latent metric representations. The code and data are available at https://github.com/rick-ali/Metric-Learning-for-CGENNs

http://arxiv.org/pdf/2407.09926v1

2024-07-13T15:41:14Z

2024-07-13T15:41:14Z

2407.09911

SensEmo: Enabling Affective Learning through Real-time Emotion Recognition with Smartwatches

Recent research has demonstrated the capability of physiological signals to infer both user emotional and attention responses. This presents an opportunity for leveraging widely available physiological sensors in smartwatches, to detect real-time emotional cues in users, such as stress and excitement. In this paper, we introduce SensEmo, a smartwatch-based system designed for affective learning. SensEmo utilizes multiple physiological sensor data, including heart rate and galvanic skin response, to recognize a student's motivation and concentration levels during class. This recognition is facilitated by a personalized emotion recognition model that predicts emotional states based on degrees of valence and arousal. With real-time emotion and attention feedback from students, we design a Markov decision process-based algorithm to enhance student learning effectiveness and experience by by offering suggestions to the teacher regarding teaching content and pacing. We evaluate SensEmo with 22 participants in real-world classroom environments. Evaluation results show that SensEmo recognizes student emotion with an average of 88.9% accuracy. More importantly, SensEmo assists students to achieve better online learning outcomes, e.g., an average of 40.0% higher grades in quizzes, over the traditional learning without student emotional feedback.

http://arxiv.org/pdf/2407.09911v1

2024-07-13T15:10:58Z

2024-07-13T15:10:58Z

2311.13958

Handling The Non-Smooth Challenge in Tensor SVD: A Multi-Objective Tensor Recovery Framework

Recently, numerous tensor singular value decomposition (t-SVD)-based tensor recovery methods have shown promise in processing visual data, such as color images and videos. However, these methods often suffer from severe performance degradation when confronted with tensor data exhibiting non-smooth changes. It has been commonly observed in real-world scenarios but ignored by the traditional t-SVD-based methods. In this work, we introduce a novel tensor recovery model with a learnable tensor nuclear norm to address such a challenge. We develop a new optimization algorithm named the Alternating Proximal Multiplier Method (APMM) to iteratively solve the proposed tensor completion model. Theoretical analysis demonstrates the convergence of the proposed APMM to the Karush-Kuhn-Tucker (KKT) point of the optimization problem. In addition, we propose a multi-objective tensor recovery framework based on APMM to efficiently explore the correlations of tensor data across its various dimensions, providing a new perspective on extending the t-SVD-based method to higher-order tensor cases. Numerical experiments demonstrated the effectiveness of the proposed method in tensor completion.

http://arxiv.org/pdf/2311.13958v3

2024-07-13T14:47:29Z

2023-11-23T12:16:33Z

2407.09905

Global Reinforcement Learning: Beyond Linear and Convex Rewards via Submodular Semi-gradient Methods

In classic Reinforcement Learning (RL), the agent maximizes an additive objective of the visited states, e.g., a value function. Unfortunately, objectives of this type cannot model many real-world applications such as experiment design, exploration, imitation learning, and risk-averse RL to name a few. This is due to the fact that additive objectives disregard interactions between states that are crucial for certain tasks. To tackle this problem, we introduce Global RL (GRL), where rewards are globally defined over trajectories instead of locally over states. Global rewards can capture negative interactions among states, e.g., in exploration, via submodularity, positive interactions, e.g., synergetic effects, via supermodularity, while mixed interactions via combinations of them. By exploiting ideas from submodular optimization, we propose a novel algorithmic scheme that converts any GRL problem to a sequence of classic RL problems and solves it efficiently with curvature-dependent approximation guarantees. We also provide hardness of approximation results and empirically demonstrate the effectiveness of our method on several GRL instances.

http://arxiv.org/pdf/2407.09905v1

2024-07-13T14:45:08Z

2024-07-13T14:45:08Z

2407.09904

Learning a Mini-batch Graph Transformer via Two-stage Interaction Augmentation

Mini-batch Graph Transformer (MGT), as an emerging graph learning model, has demonstrated significant advantages in semi-supervised node prediction tasks with improved computational efficiency and enhanced model robustness. However, existing methods for processing local information either rely on sampling or simple aggregation, which respectively result in the loss and squashing of critical neighbor information.Moreover, the limited number of nodes in each mini-batch restricts the model's capacity to capture the global characteristic of the graph. In this paper, we propose LGMformer, a novel MGT model that employs a two-stage augmented interaction strategy, transitioning from local to global perspectives, to address the aforementioned bottlenecks.The local interaction augmentation (LIA) presents a neighbor-target interaction Transformer (NTIformer) to acquire an insightful understanding of the co-interaction patterns between neighbors and the target node, resulting in a locally effective token list that serves as input for the MGT. In contrast, global interaction augmentation (GIA) adopts a cross-attention mechanism to incorporate entire graph prototypes into the target node epresentation, thereby compensating for the global graph information to ensure a more comprehensive perception. To this end, LGMformer achieves the enhancement of node representations under the MGT paradigm.Experimental results related to node classification on the ten benchmark datasets demonstrate the effectiveness of the proposed method. Our code is available at https://github.com/l-wd/LGMformer.

http://arxiv.org/pdf/2407.09904v1

2024-07-13T14:42:22Z

2024-07-13T14:42:22Z

2306.10084

Convolutional and Deep Learning based techniques for Time Series Ordinal Classification

Time Series Classification (TSC) covers the supervised learning problem where input data is provided in the form of series of values observed through repeated measurements over time, and whose objective is to predict the category to which they belong. When the class values are ordinal, classifiers that take this into account can perform better than nominal classifiers. Time Series Ordinal Classification (TSOC) is the field covering this gap, yet unexplored in the literature. There are a wide range of time series problems showing an ordered label structure, and TSC techniques that ignore the order relationship discard useful information. Hence, this paper presents a first benchmarking of TSOC methodologies, exploiting the ordering of the target labels to boost the performance of current TSC state-of-the-art. Both convolutional- and deep learning-based methodologies (among the best performing alternatives for nominal TSC) are adapted for TSOC. For the experiments, a selection of 29 ordinal problems from two well-known archives has been made. In this way, this paper contributes to the establishment of the state-of-the-art in TSOC. The results obtained by ordinal versions are found to be significantly better than current nominal TSC techniques in terms of ordinal performance metrics, outlining the importance of considering the ordering of the labels when dealing with this kind of problems.

http://arxiv.org/pdf/2306.10084v2

2024-07-13T14:37:47Z

2023-06-16T11:57:11Z

2212.07143

Reproducible scaling laws for contrastive language-image learning

Scaling up neural networks has led to remarkable performance across a wide range of tasks. Moreover, performance often follows reliable scaling laws as a function of training set size, model size, and compute, which offers valuable guidance as large-scale experiments are becoming increasingly expensive. However, previous work on scaling laws has primarily used private data & models or focused on uni-modal language or vision learning. To address these limitations, we investigate scaling laws for contrastive language-image pre-training (CLIP) with the public LAION dataset and the open-source OpenCLIP repository. Our large-scale experiments involve models trained on up to two billion image-text pairs and identify power law scaling for multiple downstream tasks including zero-shot classification, retrieval, linear probing, and end-to-end fine-tuning. We find that the training distribution plays a key role in scaling laws as the OpenAI and OpenCLIP models exhibit different scaling behavior despite identical model architectures and similar training recipes. We open-source our evaluation workflow and all models, including the largest public CLIP models, to ensure reproducibility and make scaling laws research more accessible. Source code and instructions to reproduce this study will be available at https://github.com/LAION-AI/scaling-laws-openclip

http://arxiv.org/abs/2212.07143v2

2024-07-13T14:20:07Z

2022-12-14T10:24:50Z

2311.13538

AlignedCoT: Prompting Large Language Models via Native-Speaking Demonstrations

Large Language Models prompting, such as using in-context demonstrations, is a mainstream technique for invoking LLMs to perform high-performance and solid complex reasoning (e.g., mathematical reasoning, commonsense reasoning), and has the potential for further human-machine collaborative scientific findings. However, current LLMs are delicate and elusive in prompt words and styles. And there is an unseen gap between LLM understanding and human-written prompts. This paper introduces AlignedCoT, an LLM-acquainted prompting technique that includes proficient "native-speaking" in in-context learning for the LLMs. Specifically, it achieves consistent and correct step-wise prompts in zero-shot scenarios by progressively probing, refining, and formatting the LLM chain of thoughts so that free from handcrafted few-shot demonstrations while maintaining the prompt quality. We conduct experiments on mathematical reasoning and commonsense reasoning. We find that LLMs with AlignedCoT perform significantly superior to them with human-crafted demonstrations. We further apply AlignedCoT for rewriting the GSM8k training set, resulting in a GSM8k-Align dataset. We observe its benefits for retrieval augmented generation.

http://arxiv.org/pdf/2311.13538v4

2024-07-13T13:36:09Z

2023-11-22T17:24:21Z

2407.09887

Benchmarking LLMs for Optimization Modeling and Enhancing Reasoning via Reverse Socratic Synthesis

Large language models (LLMs) have exhibited their problem-solving ability in mathematical reasoning. Solving realistic optimization (OPT) problems in industrial application scenarios requires advanced and applied math ability. However, current OPT benchmarks that merely solve linear programming are far from complex realistic situations. In this work, we propose E-OPT, a benchmark for end-to-end optimization problem-solving with human-readable inputs and outputs. E-OPT contains rich optimization problems, including linear/nonlinear programming with/without table data, which can comprehensively evaluate LLMs' solving ability. In our benchmark, LLMs are required to correctly understand the problem in E-OPT and call code solver to get precise numerical answers. Furthermore, to alleviate the data scarcity for optimization problems, and to bridge the gap between open-source LLMs on a small scale (e.g., Llama-2-7b and Llama-3-8b) and closed-source LLMs (e.g., GPT-4), we further propose a novel data synthesis method namely ReSocratic. Unlike general data synthesis methods that proceed from questions to answers, ReSocratic first incrementally synthesizes optimization scenarios with mathematical formulations step by step and then back-translates the generated scenarios into questions. In such a way, we construct the ReSocratic-29k dataset from a small seed sample pool with the powerful open-source large model DeepSeek-V2. To demonstrate the effectiveness of ReSocratic, we conduct supervised fine-tuning with ReSocratic-29k on multiple open-source models. The results show that Llama3-8b is significantly improved from 13.6% to 51.7% on E-OPT, while DeepSeek-V2 reaches 61.0%, approaching 65.5% of GPT-4.

http://arxiv.org/pdf/2407.09887v1

2024-07-13T13:27:57Z

2024-07-13T13:27:57Z

2407.09877

Model-free Distortion Canceling and Control of Quantum Devices

Quantum devices need precise control to achieve their full capability. In this work, we address the problem of controlling closed quantum systems, tackling two main issues. First, in practice the control signals are usually subject to unknown classical distortions that could arise from the device fabrication, material properties and/or instruments generating those signals. Second, in most cases modeling the system is very difficult or not even viable due to uncertainties in the relations between some variables and inaccessibility to some measurements inside the system. In this paper, we introduce a general model-free control approach based on deep reinforcement learning (DRL), that can work for any closed quantum system. We train a deep neural network (NN), using the REINFORCE policy gradient algorithm to control the state probability distribution of a closed quantum system as it evolves, and drive it to different target distributions. We present a novel controller architecture that comprises multiple NNs. This enables accommodating as many different target state distributions as desired, without increasing the complexity of the NN or its training process. The used DRL algorithm works whether the control problem can be modeled as a Markov decision process (MDP) or a partially observed MDP. Our method is valid whether the control signals are discrete- or continuous-valued. We verified our method through numerical simulations based on a photonic waveguide array chip. We trained a controller to generate sequences of different target output distributions of the chip with fidelity higher than 99%, where the controller showed superior performance in canceling the classical signal distortions.

http://arxiv.org/pdf/2407.09877v1

2024-07-13T12:54:57Z

2024-07-13T12:54:57Z

2406.03919

Vectorized Conditional Neural Fields: A Framework for Solving Time-dependent Parametric Partial Differential Equations

Transformer models are increasingly used for solving Partial Differential Equations (PDEs). Several adaptations have been proposed, all of which suffer from the typical problems of Transformers, such as quadratic memory and time complexity. Furthermore, all prevalent architectures for PDE solving lack at least one of several desirable properties of an ideal surrogate model, such as (i) generalization to PDE parameters not seen during training, (ii) spatial and temporal zero-shot super-resolution, (iii) continuous temporal extrapolation, (iv) support for 1D, 2D, and 3D PDEs, and (v) efficient inference for longer temporal rollouts. To address these limitations, we propose Vectorized Conditional Neural Fields (VCNeFs), which represent the solution of time-dependent PDEs as neural fields. Contrary to prior methods, however, VCNeFs compute, for a set of multiple spatio-temporal query points, their solutions in parallel and model their dependencies through attention mechanisms. Moreover, VCNeF can condition the neural field on both the initial conditions and the parameters of the PDEs. An extensive set of experiments demonstrates that VCNeFs are competitive with and often outperform existing ML-based surrogate models.

http://arxiv.org/pdf/2406.03919v2

2024-07-13T12:32:25Z

2024-06-06T10:02:06Z

2405.18507

Injecting Hierarchical Biological Priors into Graph Neural Networks for Flow Cytometry Prediction

In the complex landscape of hematologic samples such as peripheral blood or bone marrow derived from flow cytometry (FC) data, cell-level prediction presents profound challenges. This work explores injecting hierarchical prior knowledge into graph neural networks (GNNs) for single-cell multi-class classification of tabular cellular data. By representing the data as graphs and encoding hierarchical relationships between classes, we propose our hierarchical plug-in method to be applied to several GNN models, namely, FCHC-GNN, and effectively designed to capture neighborhood information crucial for single-cell FC domain. Extensive experiments on our cohort of 19 distinct patients, demonstrate that incorporating hierarchical biological constraints boosts performance significantly across multiple metrics compared to baseline GNNs without such priors. The proposed approach highlights the importance of structured inductive biases for gaining improved generalization in complex biological prediction tasks.

http://arxiv.org/pdf/2405.18507v2

2024-07-13T12:06:07Z

2024-05-28T18:24:16Z

2402.03317

SpecFormer: Guarding Vision Transformer Robustness via Maximum Singular Value Penalization

Vision Transformers (ViTs) are increasingly used in computer vision due to their high performance, but their vulnerability to adversarial attacks is a concern. Existing methods lack a solid theoretical basis, focusing mainly on empirical training adjustments. This study introduces SpecFormer, tailored to fortify ViTs against adversarial attacks, with theoretical underpinnings. We establish local Lipschitz bounds for the self-attention layer and propose the Maximum Singular Value Penalization (MSVP) to precisely manage these bounds By incorporating MSVP into ViTs' attention layers, we enhance the model's robustness without compromising training efficiency. SpecFormer, the resulting model, outperforms other state-of-the-art models in defending against adversarial attacks, as proven by experiments on CIFAR and ImageNet datasets. Code is released at https://github.com/microsoft/robustlearn.

http://arxiv.org/pdf/2402.03317v2

2024-07-13T11:51:46Z

2024-01-02T14:27:24Z

2407.09852

Free-form Grid Structure Form Finding based on Machine Learning and Multi-objective Optimisation

Free-form structural forms are widely used to design spatial structures for their irregular spatial morphology. Current free-form form-finding methods cannot adequately meet the material properties, structural requirements or construction conditions, which brings the deviation between the initial 3D geometric design model and the constructed free-form structure. Thus, the main focus of this paper is to improve the rationality of free-form morphology considering multiple objectives in line with the characteristics and constraints of material. In this paper, glued laminated timber is selected as a case. Firstly, machine learning is adopted based on the predictive capability. By selecting a free-form timber grid structure and following the principles of NURBS, the free-form structure is simplified into free-form curves. The transformer is selected to train and predict the curvatures of the curves considering the material characteristics. After predicting the curvatures, the curves are transformed into vectors consisting of control points, weights, and knot vectors. To ensure the constructability and robustness of the structure, minimising the mass of the structure, stress and strain energy are the optimisation objectives. Two parameters (weight and the z-coordinate of the control points) of the free-from morphology are extracted as the variables of the free-form morphology to conduct the optimisation. The evaluation algorithm was selected as the optimal tool due to its capability to optimise multiple parameters. While optimising the two variables, the mechanical performance evaluation indexes such as the maximum displacement in the z-direction are demonstrated in the 60th step. The optimisation results for structure mass, stress and strain energy after 60 steps show the tendency of oscillation convergence, which indicates the efficiency of the proposal multi-objective optimisation.

http://arxiv.org/pdf/2407.09852v1

2024-07-13T11:22:12Z

2024-07-13T11:22:12Z

2312.15799

Efficient Conformal Prediction under Data Heterogeneity

Conformal Prediction (CP) stands out as a robust framework for uncertainty quantification, which is crucial for ensuring the reliability of predictions. However, common CP methods heavily rely on data exchangeability, a condition often violated in practice. Existing approaches for tackling non-exchangeability lead to methods that are not computable beyond the simplest examples. This work introduces a new efficient approach to CP that produces provably valid confidence sets for fairly general non-exchangeable data distributions. We illustrate the general theory with applications to the challenging setting of federated learning under data heterogeneity between agents. Our method allows constructing provably valid personalized prediction sets for agents in a fully federated way. The effectiveness of the proposed method is demonstrated in a series of experiments on real-world datasets.

http://arxiv.org/pdf/2312.15799v2

2024-07-13T11:22:10Z

2023-12-25T20:02:51Z

2407.09849

Text-Based Detection of On-Hold Scripts in Contact Center Calls

Average hold time is a concern for call centers because it affects customer satisfaction. Contact centers should instruct their agents to use special on-hold scripts to maintain positive interactions with clients. This study presents a natural language processing model that detects on-hold phrases in customer service calls transcribed by automatic speech recognition technology. The task of finding hold scripts in dialogue was formulated as a multiclass text classification problem with three mutually exclusive classes: scripts for putting a client on hold, scripts for returning to a client, and phrases irrelevant to on-hold scripts. We collected an in-house dataset of calls and labeled each dialogue turn in each call. We fine-tuned RuBERT on the dataset by exploring various hyperparameter sets and achieved high model performance. The developed model can help agent monitoring by providing a way to check whether an agent follows predefined on-hold scripts.

http://arxiv.org/abs/2407.09849v1

2024-07-13T11:11:41Z

2024-07-13T11:11:41Z

2403.08370

SMART: Submodular Data Mixture Strategy for Instruction Tuning

Instruction Tuning involves finetuning a language model on a collection of instruction-formatted datasets in order to enhance the generalizability of the model to unseen tasks. Studies have shown the importance of balancing different task proportions during finetuning, but finding the right balance remains challenging. Unfortunately, there's currently no systematic method beyond manual tuning or relying on practitioners' intuition. In this paper, we introduce SMART (Submodular data Mixture strAtegy for instRuction Tuning) - a novel data mixture strategy which makes use of a submodular function to assign importance scores to tasks which are then used to determine the mixture weights. Given a fine-tuning budget, SMART redistributes the budget among tasks and selects non-redundant samples from each task. Experimental results demonstrate that SMART significantly outperforms traditional methods such as examples proportional mixing and equal mixing. Furthermore, SMART facilitates the creation of data mixtures based on a few representative subsets of tasks alone and through task pruning analysis, we reveal that in a limited budget setting, allocating budget among a subset of representative tasks yields superior performance compared to distributing the budget among all tasks. The code for reproducing our results is open-sourced at https://github.com/kowndinya-renduchintala/SMART.

http://arxiv.org/pdf/2403.08370v3

2024-07-13T11:01:14Z

2024-03-13T09:31:50Z

2407.09845

Towards understanding epoch-wise double descent in two-layer linear neural networks

Epoch-wise double descent is the phenomenon where generalisation performance improves beyond the point of overfitting, resulting in a generalisation curve exhibiting two descents under the course of learning. Understanding the mechanisms driving this behaviour is crucial not only for understanding the generalisation behaviour of machine learning models in general, but also for employing conventional selection methods, such as the use of early stopping to mitigate overfitting. While we ultimately want to draw conclusions of more complex models, such as deep neural networks, a majority of theoretical conclusions regarding the underlying cause of epoch-wise double descent are based on simple models, such as standard linear regression. To start bridging this gap, we study epoch-wise double descent in two-layer linear neural networks. First, we derive a gradient flow for the linear two-layer model, that bridges the learning dynamics of the standard linear regression model, and the linear two-layer diagonal network with quadratic weights. Second, we identify additional factors of epoch-wise double descent emerging with the extra model layer, by deriving necessary conditions for the generalisation error to follow a double descent pattern. While epoch-wise double descent in linear regression has been attributed to differences in input variance, in the two-layer model, also the singular values of the input-output covariance matrix play an important role. This opens up for further questions regarding unidentified factors of epoch-wise double descent for truly deep models.

http://arxiv.org/pdf/2407.09845v1

2024-07-13T10:45:21Z

2024-07-13T10:45:21Z

2407.08708

eyeballvul: a future-proof benchmark for vulnerability detection in the wild

Long contexts of recent LLMs have enabled a new use case: asking models to find security vulnerabilities in entire codebases. To evaluate model performance on this task, we introduce eyeballvul: a benchmark designed to test the vulnerability detection capabilities of language models at scale, that is sourced and updated weekly from the stream of published vulnerabilities in open-source repositories. The benchmark consists of a list of revisions in different repositories, each associated with the list of known vulnerabilities present at that revision. An LLM-based scorer is used to compare the list of possible vulnerabilities returned by a model to the list of known vulnerabilities for each revision. As of July 2024, eyeballvul contains 24,000+ vulnerabilities across 6,000+ revisions and 5,000+ repositories, and is around 55GB in size.

http://arxiv.org/pdf/2407.08708v2

2024-07-13T10:44:58Z

2024-07-11T17:46:21Z

2403.20208

Unleashing the Potential of Large Language Models for Predictive Tabular Tasks in Data Science

In the domain of data science, the predictive tasks of classification, regression, and imputation of missing values are commonly encountered challenges associated with tabular data. This research endeavors to apply Large Language Models (LLMs) towards addressing these predictive tasks. Despite their proficiency in comprehending natural language, LLMs fall short in dealing with structured tabular data. This limitation stems from their lacking exposure to the intricacies of tabular data during their foundational training. Our research aims to mitigate this gap by compiling a comprehensive corpus of tables annotated with instructions and executing large-scale training of Llama-2 on this enriched dataset. Furthermore, we investigate the practical application of applying the trained model to zero-shot prediction, few-shot prediction, and in-context learning scenarios. Through extensive experiments, our methodology has shown significant improvements over existing benchmarks. These advancements highlight the efficacy of tailoring LLM training to solve table-related problems in data science, thereby establishing a new benchmark in the utilization of LLMs for enhancing tabular intelligence.

http://arxiv.org/pdf/2403.20208v6

2024-07-13T08:25:16Z

2024-03-29T14:41:21Z

2407.09801

IoT-LM: Large Multisensory Language Models for the Internet of Things

The Internet of Things (IoT) network integrating billions of smart physical devices embedded with sensors, software, and communication technologies is a critical and rapidly expanding component of our modern world. The IoT ecosystem provides a rich source of real-world modalities such as motion, thermal, geolocation, imaging, depth, sensors, and audio to recognize the states of humans and physical objects. Machine learning presents a rich opportunity to automatically process IoT data at scale, enabling efficient inference for understanding human wellbeing, controlling physical devices, and interconnecting smart cities. To realize this potential, we introduce IoT-LM, an open-source large multisensory language model tailored for the IoT ecosystem. IoT-LM is enabled by two technical contributions: the first is MultiIoT, the most expansive unified IoT dataset to date, encompassing over 1.15 million samples from 12 modalities and 8 tasks prepared for multisensory pre-training and instruction-tuning. The second is a new multisensory multitask adapter layer to condition pre-trained large language models on multisensory IoT data. Not only does IoT-LM yield substantial improvements on 8 supervised IoT classification tasks, but it also demonstrates new interactive question-answering, reasoning, and dialog capabilities conditioned on IoT sensors. We release IoT-LM's data sources and new multisensory language modeling framework.

http://arxiv.org/pdf/2407.09801v1

2024-07-13T08:20:37Z

2024-07-13T08:20:37Z

2305.15742

Counterfactual Generative Models for Time-Varying Treatments

Estimating the counterfactual outcome of treatment is essential for decision-making in public health and clinical science, among others. Often, treatments are administered in a sequential, time-varying manner, leading to an exponentially increased number of possible counterfactual outcomes. Furthermore, in modern applications, the outcomes are high-dimensional and conventional average treatment effect estimation fails to capture disparities in individuals. To tackle these challenges, we propose a novel conditional generative framework capable of producing counterfactual samples under time-varying treatment, without the need for explicit density estimation. Our method carefully addresses the distribution mismatch between the observed and counterfactual distributions via a loss function based on inverse probability re-weighting, and supports integration with state-of-the-art conditional generative models such as the guided diffusion and conditional variational autoencoder. We present a thorough evaluation of our method using both synthetic and real-world data. Our results demonstrate that our method is capable of generating high-quality counterfactual samples and outperforms the state-of-the-art baselines.

http://arxiv.org/abs/2305.15742v5

2024-07-13T08:03:27Z

2023-05-25T05:45:53Z

2407.09790

Team up GBDTs and DNNs: Advancing Efficient and Effective Tabular Prediction with Tree-hybrid MLPs

Tabular datasets play a crucial role in various applications. Thus, developing efficient, effective, and widely compatible prediction algorithms for tabular data is important. Currently, two prominent model types, Gradient Boosted Decision Trees (GBDTs) and Deep Neural Networks (DNNs), have demonstrated performance advantages on distinct tabular prediction tasks. However, selecting an effective model for a specific tabular dataset is challenging, often demanding time-consuming hyperparameter tuning. To address this model selection dilemma, this paper proposes a new framework that amalgamates the advantages of both GBDTs and DNNs, resulting in a DNN algorithm that is as efficient as GBDTs and is competitively effective regardless of dataset preferences for GBDTs or DNNs. Our idea is rooted in an observation that deep learning (DL) offers a larger parameter space that can represent a well-performing GBDT model, yet the current back-propagation optimizer struggles to efficiently discover such optimal functionality. On the other hand, during GBDT development, hard tree pruning, entropy-driven feature gate, and model ensemble have proved to be more adaptable to tabular data. By combining these key components, we present a Tree-hybrid simple MLP (T-MLP). In our framework, a tensorized, rapidly trained GBDT feature gate, a DNN architecture pruning approach, as well as a vanilla back-propagation optimizer collaboratively train a randomly initialized MLP model. Comprehensive experiments show that T-MLP is competitive with extensively tuned DNNs and GBDTs in their dominating tabular benchmarks (88 datasets) respectively, all achieved with compact model storage and significantly reduced training duration.

http://arxiv.org/pdf/2407.09790v1

2024-07-13T07:13:32Z

2024-07-13T07:13:32Z

2407.09789

Convex space learning for tabular synthetic data generation

Generating synthetic samples from the convex space of the minority class is a popular oversampling approach for imbalanced classification problems. Recently, deep-learning approaches have been successfully applied to modeling the convex space of minority samples. Beyond oversampling, learning the convex space of neighborhoods in training data has not been used to generate entire tabular datasets. In this paper, we introduce a deep learning architecture (NextConvGeN) with a generator and discriminator component that can generate synthetic samples by learning to model the convex space of tabular data. The generator takes data neighborhoods as input and creates synthetic samples within the convex space of that neighborhood. Thereafter, the discriminator tries to classify these synthetic samples against a randomly sampled batch of data from the rest of the data space. We compared our proposed model with five state-of-the-art tabular generative models across ten publicly available datasets from the biomedical domain. Our analysis reveals that synthetic samples generated by NextConvGeN can better preserve classification and clustering performance across real and synthetic data than other synthetic data generation models. Synthetic data generation by deep learning of the convex space produces high scores for popular utility measures. We further compared how diverse synthetic data generation strategies perform in the privacy-utility spectrum and produced critical arguments on the necessity of high utility models. Our research on deep learning of the convex space of tabular data opens up opportunities in clinical research, machine learning model development, decision support systems, and clinical data sharing.

http://arxiv.org/pdf/2407.09789v1

2024-07-13T07:07:35Z

2024-07-13T07:07:35Z

2407.09788

Explanation is All You Need in Distillation: Mitigating Bias and Shortcut Learning

Bias and spurious correlations in data can cause shortcut learning, undermining out-of-distribution (OOD) generalization in deep neural networks. Most methods require unbiased data during training (and/or hyper-parameter tuning) to counteract shortcut learning. Here, we propose the use of explanation distillation to hinder shortcut learning. The technique does not assume any access to unbiased data, and it allows an arbitrarily sized student network to learn the reasons behind the decisions of an unbiased teacher, such as a vision-language model or a network processing debiased images. We found that it is possible to train a neural network with explanation (e.g by Layer Relevance Propagation, LRP) distillation only, and that the technique leads to high resistance to shortcut learning, surpassing group-invariant learning, explanation background minimization, and alternative distillation techniques. In the COLOURED MNIST dataset, LRP distillation achieved 98.2% OOD accuracy, while deep feature distillation and IRM achieved 92.1% and 60.2%, respectively. In COCO-on-Places, the undesirable generalization gap between in-distribution and OOD accuracy is only of 4.4% for LRP distillation, while the other two techniques present gaps of 15.1% and 52.1%, respectively.

http://arxiv.org/pdf/2407.09788v1

2024-07-13T07:04:28Z

2024-07-13T07:04:28Z

2407.05246

Deep Online Probability Aggregation Clustering

Combining machine clustering with deep models has shown remarkable superiority in deep clustering. It modifies the data processing pipeline into two alternating phases: feature clustering and model training. However, such alternating schedule may lead to instability and computational burden issues. We propose a centerless clustering algorithm called Probability Aggregation Clustering (PAC) to proactively adapt deep learning technologies, enabling easy deployment in online deep clustering. PAC circumvents the cluster center and aligns the probability space and distribution space by formulating clustering as an optimization problem with a novel objective function. Based on the computation mechanism of the PAC, we propose a general online probability aggregation module to perform stable and flexible feature clustering over mini-batch data and further construct a deep visual clustering framework deep PAC (DPAC). Extensive experiments demonstrate that PAC has superior clustering robustness and performance and DPAC remarkably outperforms the state-of-the-art deep clustering methods.

http://arxiv.org/pdf/2407.05246v2

2024-07-13T06:58:10Z

2024-07-07T03:31:00Z

2406.04802

Predictive Dynamic Fusion

Multimodal fusion is crucial in joint decision-making systems for rendering holistic judgments. Since multimodal data changes in open environments, dynamic fusion has emerged and achieved remarkable progress in numerous applications. However, most existing dynamic multimodal fusion methods lack theoretical guarantees and easily fall into suboptimal problems, yielding unreliability and instability. To address this issue, we propose a Predictive Dynamic Fusion (PDF) framework for multimodal learning. We proceed to reveal the multimodal fusion from a generalization perspective and theoretically derive the predictable Collaborative Belief (Co-Belief) with Mono- and Holo-Confidence, which provably reduces the upper bound of generalization error. Accordingly, we further propose a relative calibration strategy to calibrate the predicted Co-Belief for potential uncertainty. Extensive experiments on multiple benchmarks confirm our superiority. Our code is available at https://github.com/Yinan-Xia/PDF.

http://arxiv.org/pdf/2406.04802v2

2024-07-13T06:58:05Z

2024-06-07T10:06:13Z

2312.01203

Harnessing Discrete Representations For Continual Reinforcement Learning

Reinforcement learning (RL) agents make decisions using nothing but observations from the environment, and consequently, heavily rely on the representations of those observations. Though some recent breakthroughs have used vector-based categorical representations of observations, often referred to as discrete representations, there is little work explicitly assessing the significance of such a choice. In this work, we provide a thorough empirical investigation of the advantages of representing observations as vectors of categorical values within the context of reinforcement learning. We perform evaluations on world-model learning, model-free RL, and ultimately continual RL problems, where the benefits best align with the needs of the problem setting. We find that, when compared to traditional continuous representations, world models learned over discrete representations accurately model more of the world with less capacity, and that agents trained with discrete representations learn better policies with less data. In the context of continual RL, these benefits translate into faster adapting agents. Additionally, our analysis suggests that the observed performance improvements can be attributed to the information contained within the latent vectors and potentially the encoding of the discrete representation itself.

http://arxiv.org/pdf/2312.01203v3

2024-07-13T06:47:10Z

2023-12-02T18:55:26Z

2407.09777

Graph Transformers: A Survey

Graph transformers are a recent advancement in machine learning, offering a new class of neural network models for graph-structured data. The synergy between transformers and graph learning demonstrates strong performance and versatility across various graph-related tasks. This survey provides an in-depth review of recent progress and challenges in graph transformer research. We begin with foundational concepts of graphs and transformers. We then explore design perspectives of graph transformers, focusing on how they integrate graph inductive biases and graph attention mechanisms into the transformer architecture. Furthermore, we propose a taxonomy classifying graph transformers based on depth, scalability, and pre-training strategies, summarizing key principles for effective development of graph transformer models. Beyond technical analysis, we discuss the applications of graph transformer models for node-level, edge-level, and graph-level tasks, exploring their potential in other application scenarios as well. Finally, we identify remaining challenges in the field, such as scalability and efficiency, generalization and robustness, interpretability and explainability, dynamic and complex graphs, as well as data quality and diversity, charting future directions for graph transformer research.

http://arxiv.org/pdf/2407.09777v1

2024-07-13T05:15:24Z

2024-07-13T05:15:24Z

2407.09775

Learning Weighted Finite Automata over the Max-Plus Semiring and its Termination

Active learning of finite automata has been vigorously pursued for the purposes of analysis and explanation of black-box systems. In this paper, we study an L*-style learning algorithm for weighted automata over the max-plus semiring. The max-plus setting exposes a "consistency" issue in the previously studied semiring-generic extension of L*: we show that it can fail to maintain consistency of tables, and can thus make equivalence queries on obviously wrong hypothesis automata. We present a theoretical fix by a mathematically clean notion of column-closedness. We also present a nontrivial and reasonably broad class of weighted languages over the max-plus semiring in which our algorithm terminates.

http://arxiv.org/pdf/2407.09775v1

2024-07-13T05:08:06Z

2024-07-13T05:08:06Z

2407.04065

On the Workflows and Smells of Leaderboard Operations (LBOps): An Exploratory Study of Foundation Model Leaderboards

Foundation models (FM), such as large language models (LLMs), which are large-scale machine learning (ML) models, have demonstrated remarkable adaptability in various downstream software engineering (SE) tasks, such as code completion, code understanding, and software development. As a result, FM leaderboards, especially those hosted on cloud platforms, have become essential tools for SE teams to compare and select the best third-party FMs for their specific products and purposes. However, the lack of standardized guidelines for FM evaluation and comparison threatens the transparency of FM leaderboards and limits stakeholders' ability to perform effective FM selection. As a first step towards addressing this challenge, our research focuses on understanding how these FM leaderboards operate in real-world scenarios ("leaderboard operations") and identifying potential leaderboard pitfalls and areas for improvement ("leaderboard smells"). In this regard, we perform a multivocal literature review to collect up to 721 FM leaderboards, after which we examine their documentation and engage in direct communication with leaderboard operators to understand their workflow patterns. Using card sorting and negotiated agreement, we identify 5 unique workflow patterns and develop a domain model that outlines the essential components and their interaction within FM leaderboards. We then identify 8 unique types of leaderboard smells in LBOps. By mitigating these smells, SE teams can improve transparency, accountability, and collaboration in current LBOps practices, fostering a more robust and responsible ecosystem for FM comparison and selection.

http://arxiv.org/pdf/2407.04065v2

2024-07-13T03:21:40Z

2024-07-04T17:12:00Z

2407.09753

Biased Backpressure Routing Using Link Features and Graph Neural Networks

To reduce the latency of Backpressure (BP) routing in wireless multi-hop networks, we propose to enhance the existing shortest path-biased BP (SP-BP) and sojourn time-based backlog metrics, since they introduce no additional time step-wise signaling overhead to the basic BP. Rather than relying on hop-distance, we introduce a new edge-weighted shortest path bias built on the scheduling duty cycle of wireless links, which can be predicted by a graph convolutional neural network based on the topology and traffic of wireless networks. Additionally, we tackle three long-standing challenges associated with SP-BP: optimal bias scaling, efficient bias maintenance, and integration of delay awareness. Our proposed solutions inherit the throughput optimality of the basic BP, as well as its practical advantages of low complexity and fully distributed implementation. Our approaches rely on common link features and introduces only a one-time constant overhead to previous SP-BP schemes, or a one-time overhead linear in the network size to the basic BP. Numerical experiments show that our solutions can effectively address the major drawbacks of slow startup, random walk, and the last packet problem in basic BP, improving the end-to-end delay of existing low-overhead BP algorithms under various settings of network traffic, interference, and mobility.

http://arxiv.org/pdf/2407.09753v1

2024-07-13T03:09:22Z

2024-07-13T03:09:22Z

2211.12581

UNSAT Solver Synthesis via Monte Carlo Forest Search

We introduce Monte Carlo Forest Search (MCFS), a class of reinforcement learning (RL) algorithms for learning policies in {tree MDPs}, for which policy execution involves traversing an exponential-sized tree. Examples of such problems include proving unsatisfiability of a SAT formula; counting the number of solutions of a satisfiable SAT formula; and finding the optimal solution to a mixed-integer program. MCFS algorithms can be seen as extensions of Monte Carlo Tree Search (MCTS) to cases where, rather than finding a good path (solution) within a tree, the problem is to find a small tree within a forest of candidate trees. We instantiate and evaluate our ideas in an algorithm that we dub Knuth Synthesis, an MCFS algorithm that learns DPLL branching policies for solving the Boolean satisfiability (SAT) problem, with the objective of achieving good average-case performance on a given distribution of unsatisfiable problem instances. Knuth Synthesis is the first RL approach to avoid the prohibitive costs of policy evaluations in an exponentially-sized tree, leveraging two key ideas: first, we estimate tree size by randomly sampling paths and measuring their lengths, drawing on an unbiased approximation due to Knuth (1975); second, we query a strong solver at a user-defined depth rather than learning a policy across the whole tree, to focus our policy search on early decisions that offer the greatest potential for reducing tree size. We matched or exceeded the performance of a strong baseline on three well-known SAT distributions, facing problems that were two orders of magnitude more challenging than those addressed in previous RL studies.

http://arxiv.org/abs/2211.12581v3

2024-07-13T02:55:33Z

2022-11-22T20:52:50Z

2402.15220

ChunkAttention: Efficient Self-Attention with Prefix-Aware KV Cache and Two-Phase Partition

Self-attention is an essential component of large language models (LLM) but a significant source of inference latency for long sequences. In multi-tenant LLM serving scenarios, the compute and memory operation cost of self-attention can be optimized by using the probability that multiple LLM requests have shared system prompts in prefixes. In this paper, we introduce ChunkAttention, a prefix-aware self-attention module that can detect matching prompt prefixes across multiple requests and share their key/value tensors in memory at runtime to improve the memory utilization of KV cache. This is achieved by breaking monolithic key/value tensors into smaller chunks and structuring them into the auxiliary prefix tree. Consequently, on top of the prefix-tree based KV cache, we design an efficient self-attention kernel, where a two-phase partition algorithm is implemented to improve the data locality during self-attention computation in the presence of shared system prompts. Experiments show that ChunkAttention can speed up the self-attention kernel by 3.2-4.8$times$ compared to the start-of-the-art implementation, with the length of the system prompt ranging from 1024 to 4096.

http://arxiv.org/pdf/2402.15220v3

2024-07-13T02:53:06Z

2024-02-23T09:29:19Z

2407.09747

SocialRec: User Activity Based Post Weighted Dynamic Personalized Post Recommendation System in Social Media

User activities can influence their subsequent interactions with a post, generating interest in the user. Typically, users interact with posts from friends by commenting and using reaction emojis, reflecting their level of interest on social media such as Facebook, Twitter, and Reddit. Our objective is to analyze user history over time, including their posts and engagement on various topics. Additionally, we take into account the user's profile, seeking connections between their activities and social media platforms. By integrating user history, engagement, and persona, we aim to assess recommendation scores based on relevant item sharing by Hit Rate (HR) and the quality of the ranking system by Normalized Discounted Cumulative Gain (NDCG), where we achieve the highest for NeuMF 0.80 and 0.6 respectively. Our hybrid approach solves the cold-start problem when there is a new user, for new items cold-start problem will never occur, as we consider the post category values. To improve the performance of the model during cold-start we introduce collaborative filtering by looking for similar users and ranking the users based on the highest similarity scores.

http://arxiv.org/pdf/2407.09747v1

2024-07-13T02:46:37Z

2024-07-13T02:46:37Z

2311.16628

Symmetry-regularized neural ordinary differential equations

Neural ordinary differential equations (Neural ODEs) is a class of machine learning models that approximate the time derivative of hidden states using a neural network. They are powerful tools for modeling continuous-time dynamical systems, enabling the analysis and prediction of complex temporal behaviors. However, how to improve the model's stability and physical interpretability remains a challenge. This paper introduces new conservation relations in Neural ODEs using Lie symmetries in both the hidden state dynamics and the back propagation dynamics. These conservation laws are then incorporated into the loss function as additional regularization terms, potentially enhancing the physical interpretability and generalizability of the model. To illustrate this method, the paper derives Lie symmetries and conservation laws in a simple Neural ODE designed to monitor charged particles in a sinusoidal electric field. New loss functions are constructed from these conservation relations, demonstrating the applicability symmetry-regularized Neural ODE in typical modeling tasks, such as data-driven discovery of dynamical systems.

http://arxiv.org/pdf/2311.16628v2

2024-07-13T02:44:45Z

2023-11-28T09:27:44Z

2403.02713

Android in the Zoo: Chain-of-Action-Thought for GUI Agents

Large language model (LLM) leads to a surge of autonomous GUI agents for smartphone, which completes a task triggered by natural language through predicting a sequence of actions of API. Even though the task highly relies on past actions and visual observations, existing studies typically consider little semantic information carried out by intermediate screenshots and screen operations. To address this, this work presents Chain-of-Action-Thought (dubbed CoAT), which takes the description of the previous actions, the current screen, and more importantly the action thinking of what actions should be performed and the outcomes led by the chosen action. We demonstrate that, in a zero-shot setting upon three off-the-shelf LMMs, CoAT significantly improves the action prediction compared to previous proposed context modeling. To further facilitate the research in this line, we construct a dataset Android-In-The-Zoo (AitZ), which contains 18,643 screen-action pairs together with chain-of-action-thought annotations. Experiments show that fine-tuning a 1B model (i.e. AUTO-UI-base) on our AitZ dataset achieves on-par performance with CogAgent-Chat-18B.

http://arxiv.org/pdf/2403.02713v2

2024-07-13T02:12:30Z

2024-03-05T07:09:35Z

2407.09739

Active Learning for Derivative-Based Global Sensitivity Analysis with Gaussian Processes

We consider the problem of active learning for global sensitivity analysis of expensive black-box functions. Our aim is to efficiently learn the importance of different input variables, e.g., in vehicle safety experimentation, we study the impact of the thickness of various components on safety objectives. Since function evaluations are expensive, we use active learning to prioritize experimental resources where they yield the most value. We propose novel active learning acquisition functions that directly target key quantities of derivative-based global sensitivity measures (DGSMs) under Gaussian process surrogate models. We showcase the first application of active learning directly to DGSMs, and develop tractable uncertainty reduction and information gain acquisition functions for these measures. Through comprehensive evaluation on synthetic and real-world problems, our study demonstrates how these active learning acquisition strategies substantially enhance the sample efficiency of DGSM estimation, particularly with limited evaluation budgets. Our work paves the way for more efficient and accurate sensitivity analysis in various scientific and engineering applications.

http://arxiv.org/pdf/2407.09739v1

2024-07-13T01:41:12Z

2024-07-13T01:41:12Z

2407.09732

Speech Slytherin: Examining the Performance and Efficiency of Mamba for Speech Separation, Recognition, and Synthesis

It is too early to conclude that Mamba is a better alternative to transformers for speech before comparing Mamba with transformers in terms of both performance and efficiency in multiple speech-related tasks. To reach this conclusion, we propose and evaluate three models for three tasks: Mamba-TasNet for speech separation, ConMamba for speech recognition, and VALL-M for speech synthesis. We compare them with transformers of similar sizes in performance, memory, and speed. Our Mamba or Mamba-transformer hybrid models show comparable or higher performance than their transformer counterparts: Sepformer, Conformer, and VALL-E. They are more efficient than transformers in memory and speed for speech longer than a threshold duration, inversely related to the resolution of a speech token. Mamba for separation is the most efficient, and Mamba for recognition is the least. Further, we show that Mamba is not more efficient than transformer for speech shorter than the threshold duration and performs worse in models that require joint modeling of text and speech, such as cross or masked attention of two inputs. Therefore, we argue that the superiority of Mamba or transformer depends on particular problems and models. Code available at https://github.com/xi-j/Mamba-TasNet and https://github.com/xi-j/Mamba-ASR.

http://arxiv.org/pdf/2407.09732v1

2024-07-13T00:35:21Z

2024-07-13T00:35:21Z

2407.09728

Neural Operator-Based Proxy for Reservoir Simulations Considering Varying Well Settings, Locations, and Permeability Fields

Simulating Darcy flows in porous media is fundamental to understand the future flow behavior of fluids in hydrocarbon and carbon storage reservoirs. Geological models of reservoirs are often associated with high uncertainly leading to many numerical simulations for history matching and production optimization. Machine learning models trained with simulation data can provide a faster alternative to traditional simulators. In this paper we present a single Fourier Neural Operator (FNO) surrogate that outperforms traditional reservoir simulators by the ability to predict pressures and saturations on varying permeability fields, well locations, well controls, and number of wells. The maximum-mean relative error of 95% of pressure and saturation predictions is less than 5%. This is achieved by employing a simple yet very effective data augmentation technique that reduces the dataset size by 75% and reduces overfitting. Also, constructing the input tensor in a binary fashion enables predictions on unseen well locations, well controls, and number of wells. Such model can accelerate history matching and reservoir characterization procedures by several orders of magnitude. The ability to predict on new well locations, well controls, and number of wells enables highly efficient reservoir management and optimization.

http://arxiv.org/pdf/2407.09728v1

2024-07-13T00:26:14Z

2024-07-13T00:26:14Z

2407.09726

On Mitigating Code LLM Hallucinations with API Documentation

In this study, we address the issue of API hallucinations in various software engineering contexts. We introduce CloudAPIBench, a new benchmark designed to measure API hallucination occurrences. CloudAPIBench also provides annotations for frequencies of API occurrences in the public domain, allowing us to study API hallucinations at various frequency levels. Our findings reveal that Code LLMs struggle with low frequency APIs: for e.g., GPT-4o achieves only 38.58% valid low frequency API invocations. We demonstrate that Documentation Augmented Generation (DAG) significantly improves performance for low frequency APIs (increase to 47.94% with DAG) but negatively impacts high frequency APIs when using sub-optimal retrievers (a 39.02% absolute drop). To mitigate this, we propose to intelligently trigger DAG where we check against an API index or leverage Code LLMs' confidence scores to retrieve only when needed. We demonstrate that our proposed methods enhance the balance between low and high frequency API performance, resulting in more reliable API invocations (8.20% absolute improvement on CloudAPIBench for GPT-4o).

http://arxiv.org/pdf/2407.09726v1

2024-07-13T00:16:26Z

2024-07-13T00:16:26Z

2306.05553

Equivariant vs. Invariant Layers: A Comparison of Backbone and Pooling for Point Cloud Classification

Learning from set-structured data, such as point clouds, has gained significant attention from the machine learning community. Geometric deep learning provides a blueprint for designing effective set neural networks that preserve the permutation symmetry of set-structured data. Of our interest are permutation invariant networks, which are composed of a permutation equivariant backbone, permutation invariant global pooling, and regression/classification head. While existing literature has focused on improving equivariant backbones, the impact of the pooling layer is often overlooked. In this paper, we examine the interplay between permutation equivariant backbones and permutation invariant global pooling on three benchmark point cloud classification datasets. Our findings reveal that: 1) complex pooling methods, such as transport-based or attention-based poolings, can significantly boost the performance of simple backbones, but the benefits diminish for more complex backbones, 2) even complex backbones can benefit from pooling layers in low data scenarios, 3) surprisingly, the choice of pooling layers can have a more significant impact on the model's performance than adjusting the width and depth of the backbone, and 4) pairwise combination of pooling layers can significantly improve the performance of a fixed backbone. Our comprehensive study provides insights for practitioners to design better permutation invariant set neural networks. Our code is available at https://github.com/mint-vu/backbone_vs_pooling.

http://arxiv.org/pdf/2306.05553v2

2024-07-12T23:40:41Z

2023-06-08T20:52:01Z

2407.09722

Multi-Token Joint Speculative Decoding for Accelerating Large Language Model Inference

Transformer-based Large language models (LLMs) have demonstrated their power in various tasks, but their inference incurs significant time and energy costs. To accelerate LLM inference, speculative decoding uses a smaller model to propose one sequence of tokens, which are subsequently validated in batch by the target large model. Compared with autoregressive decoding, speculative decoding generates the same number of tokens with fewer runs of the large model, hence accelerating the overall inference by $1$-$2times$. However, greedy decoding is not the optimal decoding algorithm in terms of output perplexity, which is a direct measurement of the effectiveness of a decoding algorithm. An algorithm that has better output perplexity and even better efficiency than speculative decoding can be more useful in practice. To achieve this seemingly contradictory goal, we first introduce multi-token joint greedy decoding (MJGD), which greedily generates multiple tokens at each step based on their joint perplexity. We show that it leads to better perplexity for the whole output. But the computation cost of MJGD is infeasible in practice. So we further propose multi-token joint speculative decoding (MJSD), which approximates and accelerates the MJGD from two aspects: it approximates the joint distribution of the large model with that of a small model, and uses a verification step to guarantee the accuracy of approximation; then it uses beam decoding to accelerate the sequence generation from the joint distribution. Compared with vanilla speculative decoding, MJSD has two advantages: (1) it is an approximation of MJGD, thus achieving better output perplexity; (2) verification with joint likelihood allows it to accept the longest prefix sub-sequence of the draft tokens with valid perplexity, leading to better efficiency...

http://arxiv.org/pdf/2407.09722v1

2024-07-12T23:29:54Z

2024-07-12T23:29:54Z

2407.09719

MSEval: A Dataset for Material Selection in Conceptual Design to Evaluate Algorithmic Models

Material selection plays a pivotal role in many industries, from manufacturing to construction. Material selection is usually carried out after several cycles of conceptual design, during which designers iteratively refine the design solution and the intended manufacturing approach. In design research, material selection is typically treated as an optimization problem with a single correct answer. Moreover, it is also often restricted to specific types of objects or design functions, which can make the selection process computationally expensive and time-consuming. In this paper, we introduce MSEval, a novel dataset which is comprised of expert material evaluations across a variety of design briefs and criteria. This data is designed to serve as a benchmark to facilitate the evaluation and modification of machine learning models in the context of material selection for conceptual design.

http://arxiv.org/pdf/2407.09719v1

2024-07-12T23:27:33Z

2024-07-12T23:27:33Z

2407.09717

Deep-TEMPEST: Using Deep Learning to Eavesdrop on HDMI from its Unintended Electromagnetic Emanations

In this work, we address the problem of eavesdropping on digital video displays by analyzing the electromagnetic waves that unintentionally emanate from the cables and connectors, particularly HDMI. This problem is known as TEMPEST. Compared to the analog case (VGA), the digital case is harder due to a 10-bit encoding that results in a much larger bandwidth and non-linear mapping between the observed signal and the pixel's intensity. As a result, eavesdropping systems designed for the analog case obtain unclear and difficult-to-read images when applied to digital video. The proposed solution is to recast the problem as an inverse problem and train a deep learning module to map the observed electromagnetic signal back to the displayed image. However, this approach still requires a detailed mathematical analysis of the signal, firstly to determine the frequency at which to tune but also to produce training samples without actually needing a real TEMPEST setup. This saves time and avoids the need to obtain these samples, especially if several configurations are being considered. Our focus is on improving the average Character Error Rate in text, and our system improves this rate by over 60 percentage points compared to previous available implementations. The proposed system is based on widely available Software Defined Radio and is fully open-source, seamlessly integrated into the popular GNU Radio framework. We also share the dataset we generated for training, which comprises both simulated and over 1000 real captures. Finally, we discuss some countermeasures to minimize the potential risk of being eavesdropped by systems designed based on similar principles.

http://arxiv.org/pdf/2407.09717v1

2024-07-12T23:07:37Z

2024-07-12T23:07:37Z

2310.00149

One for All: Towards Training One Graph Model for All Classification Tasks

Designing a single model to address multiple tasks has been a long-standing objective in artificial intelligence. Recently, large language models have demonstrated exceptional capability in solving different tasks within the language domain. However, a unified model for various graph tasks remains underexplored, primarily due to the challenges unique to the graph learning domain. First, graph data from different areas carry distinct attributes and follow different distributions. Such discrepancy makes it hard to represent graphs in a single representation space. Second, tasks on graphs diversify into node, link, and graph tasks, requiring distinct embedding strategies. Finally, an appropriate graph prompting paradigm for in-context learning is unclear. We propose textbf{One for All (OFA)}, the first general framework that can use a single graph model to address the above challenges. Specifically, OFA proposes text-attributed graphs to unify different graph data by describing nodes and edges with natural language and uses language models to encode the diverse and possibly cross-domain text attributes to feature vectors in the same embedding space. Furthermore, OFA introduces the concept of nodes-of-interest to standardize different tasks with a single task representation. For in-context learning on graphs, OFA introduces a novel graph prompting paradigm that appends prompting substructures to the input graph, which enables it to address varied tasks without fine-tuning. We train the OFA model using graph data from multiple domains (including citation networks, molecular graphs, knowledge graphs, etc.) simultaneously and evaluate its ability in supervised, few-shot, and zero-shot learning scenarios. OFA performs well across different tasks, making it the first general-purpose across-domains classification model on graphs.

http://arxiv.org/pdf/2310.00149v3

2024-07-12T23:01:32Z

2023-09-29T21:15:26Z

2404.03830

BiSHop: Bi-Directional Cellular Learning for Tabular Data with Generalized Sparse Modern Hopfield Model

We introduce the textbf{B}i-Directional textbf{S}parse textbf{Hop}field Network (textbf{BiSHop}), a novel end-to-end framework for deep tabular learning. BiSHop handles the two major challenges of deep tabular learning: non-rotationally invariant data structure and feature sparsity in tabular data. Our key motivation comes from the recent established connection between associative memory and attention mechanisms. Consequently, BiSHop uses a dual-component approach, sequentially processing data both column-wise and row-wise through two interconnected directional learning modules. Computationally, these modules house layers of generalized sparse modern Hopfield layers, a sparse extension of the modern Hopfield model with adaptable sparsity. Methodologically, BiSHop facilitates multi-scale representation learning, capturing both intra-feature and inter-feature interactions, with adaptive sparsity at each scale. Empirically, through experiments on diverse real-world datasets, we demonstrate that BiSHop surpasses current SOTA methods with significantly less HPO runs, marking it a robust solution for deep tabular learning.

http://arxiv.org/pdf/2404.03830v2

2024-07-12T22:45:41Z

2024-04-04T23:13:32Z

2407.09709

GOFA: A Generative One-For-All Model for Joint Graph Language Modeling

Foundation models, such as Large Language Models (LLMs) or Large Vision Models (LVMs), have emerged as one of the most powerful tools in the respective fields. However, unlike text and image data, graph data do not have a definitive structure, posing great challenges to developing a Graph Foundation Model (GFM). For example, current attempts at designing general graph models either transform graph data into a language format for LLM-based prediction or still train a GNN model with LLM as an assistant. The former can handle unlimited tasks, while the latter captures graph structure much better -- yet, no existing work can achieve both simultaneously. In this paper, we identify three key desirable properties of a GFM: self-supervised pretraining, fluidity in tasks, and graph awareness. To account for these properties, we extend the conventional language modeling to the graph domain and propose a novel generative graph language model GOFA to solve the problem. The model interleaves randomly initialized GNN layers into a frozen pre-trained LLM so that the semantic and structural modeling abilities are organically combined. GOFA is pre-trained on newly proposed graph-level next-word prediction, question-answering, and structural tasks to obtain the above GFM properties. The pre-trained model is further fine-tuned on downstream tasks to obtain task-solving ability. The fine-tuned model is evaluated on various downstream tasks, demonstrating a strong ability to solve structural and contextual problems in zero-shot scenarios. The code is available at https://github.com/JiaruiFeng/GOFA.

http://arxiv.org/pdf/2407.09709v1

2024-07-12T22:23:51Z

2024-07-12T22:23:51Z

2407.08608

FlashAttention-3: Fast and Accurate Attention with Asynchrony and Low-precision

Attention, as a core layer of the ubiquitous Transformer architecture, is the bottleneck for large language models and long-context applications. FlashAttention elaborated an approach to speed up attention on GPUs through minimizing memory reads/writes. However, it has yet to take advantage of new capabilities present in recent hardware, with FlashAttention-2 achieving only 35% utilization on the H100 GPU. We develop three main techniques to speed up attention on Hopper GPUs: exploiting asynchrony of the Tensor Cores and TMA to (1) overlap overall computation and data movement via warp-specialization and (2) interleave block-wise matmul and softmax operations, and (3) block quantization and incoherent processing that leverages hardware support for FP8 low-precision. We demonstrate that our method, FlashAttention-3, achieves speedup on H100 GPUs by 1.5-2.0$times$ with FP16 reaching up to 740 TFLOPs/s (75% utilization), and with FP8 reaching close to 1.2 PFLOPs/s. We validate that FP8 FlashAttention-3 achieves 2.6$times$ lower numerical error than a baseline FP8 attention.

http://arxiv.org/pdf/2407.08608v2

2024-07-12T22:15:02Z

2024-07-11T15:44:48Z