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Oct 31

Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and Pitfalls

Neural network (NN) potentials promise highly accurate molecular dynamics (MD) simulations within the computational complexity of classical MD force fields. However, when applied outside their training domain, NN potential predictions can be inaccurate, increasing the need for Uncertainty Quantification (UQ). Bayesian modeling provides the mathematical framework for UQ, but classical Bayesian methods based on Markov chain Monte Carlo (MCMC) are computationally intractable for NN potentials. By training graph NN potentials for coarse-grained systems of liquid water and alanine dipeptide, we demonstrate here that scalable Bayesian UQ via stochastic gradient MCMC (SG-MCMC) yields reliable uncertainty estimates for MD observables. We show that cold posteriors can reduce the required training data size and that for reliable UQ, multiple Markov chains are needed. Additionally, we find that SG-MCMC and the Deep Ensemble method achieve comparable results, despite shorter training and less hyperparameter tuning of the latter. We show that both methods can capture aleatoric and epistemic uncertainty reliably, but not systematic uncertainty, which needs to be minimized by adequate modeling to obtain accurate credible intervals for MD observables. Our results represent a step towards accurate UQ that is of vital importance for trustworthy NN potential-based MD simulations required for decision-making in practice.

  • 3 authors
·
Dec 15, 2022

Deep Ensemble Learning with Frame Skipping for Face Anti-Spoofing

Face presentation attacks (PA), also known as spoofing attacks, pose a substantial threat to biometric systems that rely on facial recognition systems, such as access control systems, mobile payments, and identity verification systems. To mitigate the spoofing risk, several video-based methods have been presented in the literature that analyze facial motion in successive video frames. However, estimating the motion between adjacent frames is a challenging task and requires high computational cost. In this paper, we rephrase the face anti-spoofing task as a motion prediction problem and introduce a deep ensemble learning model with a frame skipping mechanism. In particular, the proposed frame skipping adopts a uniform sampling approach by dividing the original video into video clips of fixed size. By doing so, every nth frame of the clip is selected to ensure that the temporal patterns can easily be perceived during the training of three different recurrent neural networks (RNNs). Motivated by the performance of individual RNNs, a meta-model is developed to improve the overall detection performance by combining the prediction of individual RNNs. Extensive experiments were performed on four datasets, and state-of-the-art performance is reported on MSU-MFSD (3.12%), Replay-Attack (11.19%), and OULU-NPU (12.23%) databases by using half total error rates (HTERs) in the most challenging cross-dataset testing scenario.

  • 4 authors
·
Jul 6, 2023

Authorship Identification of Source Code Segments Written by Multiple Authors Using Stacking Ensemble Method

Source code segment authorship identification is the task of identifying the author of a source code segment through supervised learning. It has vast importance in plagiarism detection, digital forensics, and several other law enforcement issues. However, when a source code segment is written by multiple authors, typical author identification methods no longer work. Here, an author identification technique, capable of predicting the authorship of source code segments, even in the case of multiple authors, has been proposed which uses a stacking ensemble classifier. This proposed technique is built upon several deep neural networks, random forests and support vector machine classifiers. It has been shown that for identifying the author group, a single classification technique is no longer sufficient and using a deep neural network-based stacking ensemble method can enhance the accuracy significantly. The performance of the proposed technique has been compared with some existing methods which only deal with the source code segments written precisely by a single author. Despite the harder task of authorship identification for source code segments written by multiple authors, our proposed technique has achieved promising results evidenced by the identification accuracy, compared to the related works which only deal with code segments written by a single author.

  • 3 authors
·
Dec 11, 2022

MADE-for-ASD: A Multi-Atlas Deep Ensemble Network for Diagnosing Autism Spectrum Disorder

In response to the global need for efficient early diagnosis of Autism Spectrum Disorder (ASD), this paper bridges the gap between traditional, time-consuming diagnostic methods and potential automated solutions. We propose a multi-atlas deep ensemble network, MADE-for-ASD, that integrates multiple atlases of the brain's functional magnetic resonance imaging (fMRI) data through a weighted deep ensemble network. Our approach integrates demographic information into the prediction workflow, which enhances ASD diagnosis performance and offers a more holistic perspective on patient profiling. We experiment with the well-known publicly available ABIDE (Autism Brain Imaging Data Exchange) I dataset, consisting of resting state fMRI data from 17 different laboratories around the globe. Our proposed system achieves 75.20% accuracy on the entire dataset and 96.40% on a specific subset - both surpassing reported ASD diagnosis accuracy in ABIDE I fMRI studies. Specifically, our model improves by 4.4 percentage points over prior works on the same amount of data. The model exhibits a sensitivity of 82.90% and a specificity of 69.70% on the entire dataset, and 91.00% and 99.50%, respectively, on the specific subset. We leverage the F-score to pinpoint the top 10 ROI in ASD diagnosis, such as precuneus and anterior cingulate/ventromedial. The proposed system can potentially pave the way for more cost-effective, efficient and scalable strategies in ASD diagnosis. Codes and evaluations are publicly available at https://github.com/hasan-rakibul/MADE-for-ASD.

  • 4 authors
·
Jul 9, 2024

A Hybrid Deep Learning-based Approach for Optimal Genotype by Environment Selection

Precise crop yield prediction is essential for improving agricultural practices and ensuring crop resilience in varying climates. Integrating weather data across the growing season, especially for different crop varieties, is crucial for understanding their adaptability in the face of climate change. In the MLCAS2021 Crop Yield Prediction Challenge, we utilized a dataset comprising 93,028 training records to forecast yields for 10,337 test records, covering 159 locations across 28 U.S. states and Canadian provinces over 13 years (2003-2015). This dataset included details on 5,838 distinct genotypes and daily weather data for a 214-day growing season, enabling comprehensive analysis. As one of the winning teams, we developed two novel convolutional neural network (CNN) architectures: the CNN-DNN model, combining CNN and fully-connected networks, and the CNN-LSTM-DNN model, with an added LSTM layer for weather variables. Leveraging the Generalized Ensemble Method (GEM), we determined optimal model weights, resulting in superior performance compared to baseline models. The GEM model achieved lower RMSE (5.55% to 39.88%), reduced MAE (5.34% to 43.76%), and higher correlation coefficients (1.1% to 10.79%) when evaluated on test data. We applied the CNN-DNN model to identify top-performing genotypes for various locations and weather conditions, aiding genotype selection based on weather variables. Our data-driven approach is valuable for scenarios with limited testing years. Additionally, a feature importance analysis using RMSE change highlighted the significance of location, MG, year, and genotype, along with the importance of weather variables MDNI and AP.

  • 4 authors
·
Sep 22, 2023

Pay Attention to Evolution: Time Series Forecasting with Deep Graph-Evolution Learning

Time-series forecasting is one of the most active research topics in artificial intelligence. Applications in real-world time series should consider two factors for achieving reliable predictions: modeling dynamic dependencies among multiple variables and adjusting the model's intrinsic hyperparameters. A still open gap in that literature is that statistical and ensemble learning approaches systematically present lower predictive performance than deep learning methods. They generally disregard the data sequence aspect entangled with multivariate data represented in more than one time series. Conversely, this work presents a novel neural network architecture for time-series forecasting that combines the power of graph evolution with deep recurrent learning on distinct data distributions; we named our method Recurrent Graph Evolution Neural Network (ReGENN). The idea is to infer multiple multivariate relationships between co-occurring time-series by assuming that the temporal data depends not only on inner variables and intra-temporal relationships (i.e., observations from itself) but also on outer variables and inter-temporal relationships (i.e., observations from other-selves). An extensive set of experiments was conducted comparing ReGENN with dozens of ensemble methods and classical statistical ones, showing sound improvement of up to 64.87% over the competing algorithms. Furthermore, we present an analysis of the intermediate weights arising from ReGENN, showing that by looking at inter and intra-temporal relationships simultaneously, time-series forecasting is majorly improved if paying attention to how multiple multivariate data synchronously evolve.

  • 6 authors
·
Aug 28, 2020

Deep Learning, Machine Learning, Advancing Big Data Analytics and Management

Advancements in artificial intelligence, machine learning, and deep learning have catalyzed the transformation of big data analytics and management into pivotal domains for research and application. This work explores the theoretical foundations, methodological advancements, and practical implementations of these technologies, emphasizing their role in uncovering actionable insights from massive, high-dimensional datasets. The study presents a systematic overview of data preprocessing techniques, including data cleaning, normalization, integration, and dimensionality reduction, to prepare raw data for analysis. Core analytics methodologies such as classification, clustering, regression, and anomaly detection are examined, with a focus on algorithmic innovation and scalability. Furthermore, the text delves into state-of-the-art frameworks for data mining and predictive modeling, highlighting the role of neural networks, support vector machines, and ensemble methods in tackling complex analytical challenges. Special emphasis is placed on the convergence of big data with distributed computing paradigms, including cloud and edge computing, to address challenges in storage, computation, and real-time analytics. The integration of ethical considerations, including data privacy and compliance with global standards, ensures a holistic perspective on data management. Practical applications across healthcare, finance, marketing, and policy-making illustrate the real-world impact of these technologies. Through comprehensive case studies and Python-based implementations, this work equips researchers, practitioners, and data enthusiasts with the tools to navigate the complexities of modern data analytics. It bridges the gap between theory and practice, fostering the development of innovative solutions for managing and leveraging data in the era of artificial intelligence.

  • 26 authors
·
Dec 3, 2024

Post-Hoc Split-Point Self-Consistency Verification for Efficient, Unified Quantification of Aleatoric and Epistemic Uncertainty in Deep Learning

Uncertainty quantification (UQ) is vital for trustworthy deep learning, yet existing methods are either computationally intensive, such as Bayesian or ensemble methods, or provide only partial, task-specific estimates, such as single-forward-pass techniques. In this paper, we propose a post-hoc single-forward-pass framework that jointly captures aleatoric and epistemic uncertainty without modifying or retraining pretrained models. Our method applies Split-Point Analysis (SPA) to decompose predictive residuals into upper and lower subsets, computing Mean Absolute Residuals (MARs) on each side. We prove that, under ideal conditions, the total MAR equals the harmonic mean of subset MARs; deviations define a novel Self-consistency Discrepancy Score (SDS) for fine-grained epistemic estimation across regression and classification. For regression, side-specific quantile regression yields prediction intervals with improved empirical coverage, which are further calibrated via SDS. For classification, when calibration data are available, we apply SPA-based calibration identities to adjust the softmax outputs and then compute predictive entropy on these calibrated probabilities. Extensive experiments on diverse regression and classification benchmarks demonstrate that our framework matches or exceeds several state-of-the-art UQ methods while incurring minimal overhead. Our source code is available at https://github.com/zzz0527/SPC-UQ.

  • 2 authors
·
Sep 16

Lessons Learned from the 1st ARIEL Machine Learning Challenge: Correcting Transiting Exoplanet Light Curves for Stellar Spots

The last decade has witnessed a rapid growth of the field of exoplanet discovery and characterisation. However, several big challenges remain, many of which could be addressed using machine learning methodology. For instance, the most prolific method for detecting exoplanets and inferring several of their characteristics, transit photometry, is very sensitive to the presence of stellar spots. The current practice in the literature is to identify the effects of spots visually and correct for them manually or discard the affected data. This paper explores a first step towards fully automating the efficient and precise derivation of transit depths from transit light curves in the presence of stellar spots. The methods and results we present were obtained in the context of the 1st Machine Learning Challenge organized for the European Space Agency's upcoming Ariel mission. We first present the problem, the simulated Ariel-like data and outline the Challenge while identifying best practices for organizing similar challenges in the future. Finally, we present the solutions obtained by the top-5 winning teams, provide their code and discuss their implications. Successful solutions either construct highly non-linear (w.r.t. the raw data) models with minimal preprocessing -deep neural networks and ensemble methods- or amount to obtaining meaningful statistics from the light curves, constructing linear models on which yields comparably good predictive performance.

  • 23 authors
·
Oct 29, 2020

Uncertainty-Aware DNN for Multi-Modal Camera Localization

Camera localization, i.e., camera pose regression, represents an important task in computer vision since it has many practical applications such as in the context of intelligent vehicles and their localization. Having reliable estimates of the regression uncertainties is also important, as it would allow us to catch dangerous localization failures. In the literature, uncertainty estimation in Deep Neural Networks (DNNs) is often performed through sampling methods, such as Monte Carlo Dropout (MCD) and Deep Ensemble (DE), at the expense of undesirable execution time or an increase in hardware resources. In this work, we considered an uncertainty estimation approach named Deep Evidential Regression (DER) that avoids any sampling technique, providing direct uncertainty estimates. Our goal is to provide a systematic approach to intercept localization failures of camera localization systems based on DNNs architectures, by analyzing the generated uncertainties. We propose to exploit CMRNet, a DNN approach for multi-modal image to LiDAR map registration, by modifying its internal configuration to allow for extensive experimental activity on the KITTI dataset. The experimental section highlights CMRNet's major flaws and proves that our proposal does not compromise the original localization performances but also provides, at the same time, the necessary introspection measures that would allow end-users to act accordingly.

  • 4 authors
·
Nov 2, 2022

The Alzheimer's Disease Prediction Of Longitudinal Evolution (TADPOLE) Challenge: Results after 1 Year Follow-up

We present the findings of "The Alzheimer's Disease Prediction Of Longitudinal Evolution" (TADPOLE) Challenge, which compared the performance of 92 algorithms from 33 international teams at predicting the future trajectory of 219 individuals at risk of Alzheimer's disease. Challenge participants were required to make a prediction, for each month of a 5-year future time period, of three key outcomes: clinical diagnosis, Alzheimer's Disease Assessment Scale Cognitive Subdomain (ADAS-Cog13), and total volume of the ventricles. The methods used by challenge participants included multivariate linear regression, machine learning methods such as support vector machines and deep neural networks, as well as disease progression models. No single submission was best at predicting all three outcomes. For clinical diagnosis and ventricle volume prediction, the best algorithms strongly outperform simple baselines in predictive ability. However, for ADAS-Cog13 no single submitted prediction method was significantly better than random guesswork. Two ensemble methods based on taking the mean and median over all predictions, obtained top scores on almost all tasks. Better than average performance at diagnosis prediction was generally associated with the additional inclusion of features from cerebrospinal fluid (CSF) samples and diffusion tensor imaging (DTI). On the other hand, better performance at ventricle volume prediction was associated with inclusion of summary statistics, such as the slope or maxima/minima of biomarkers. TADPOLE's unique results suggest that current prediction algorithms provide sufficient accuracy to exploit biomarkers related to clinical diagnosis and ventricle volume, for cohort refinement in clinical trials for Alzheimer's disease. However, results call into question the usage of cognitive test scores for patient selection and as a primary endpoint in clinical trials.

  • 96 authors
·
Feb 9, 2020

Adaptive Ensemble Learning: Boosting Model Performance through Intelligent Feature Fusion in Deep Neural Networks

In this paper, we present an Adaptive Ensemble Learning framework that aims to boost the performance of deep neural networks by intelligently fusing features through ensemble learning techniques. The proposed framework integrates ensemble learning strategies with deep learning architectures to create a more robust and adaptable model capable of handling complex tasks across various domains. By leveraging intelligent feature fusion methods, the Adaptive Ensemble Learning framework generates more discriminative and effective feature representations, leading to improved model performance and generalization capabilities. We conducted extensive experiments and evaluations on several benchmark datasets, including image classification, object detection, natural language processing, and graph-based learning tasks. The results demonstrate that the proposed framework consistently outperforms baseline models and traditional feature fusion techniques, highlighting its effectiveness in enhancing deep learning models' performance. Furthermore, we provide insights into the impact of intelligent feature fusion on model performance and discuss the potential applications of the Adaptive Ensemble Learning framework in real-world scenarios. The paper also explores the design and implementation of adaptive ensemble models, ensemble training strategies, and meta-learning techniques, which contribute to the framework's versatility and adaptability. In conclusion, the Adaptive Ensemble Learning framework represents a significant advancement in the field of feature fusion and ensemble learning for deep neural networks, with the potential to transform a wide range of applications across multiple domains.

  • 1 authors
·
Apr 4, 2023

Varifocal-Net: A Chromosome Classification Approach using Deep Convolutional Networks

Chromosome classification is critical for karyotyping in abnormality diagnosis. To expedite the diagnosis, we present a novel method named Varifocal-Net for simultaneous classification of chromosome's type and polarity using deep convolutional networks. The approach consists of one global-scale network (G-Net) and one local-scale network (L-Net). It follows three stages. The first stage is to learn both global and local features. We extract global features and detect finer local regions via the G-Net. By proposing a varifocal mechanism, we zoom into local parts and extract local features via the L-Net. Residual learning and multi-task learning strategies are utilized to promote high-level feature extraction. The detection of discriminative local parts is fulfilled by a localization subnet of the G-Net, whose training process involves both supervised and weakly-supervised learning. The second stage is to build two multi-layer perceptron classifiers that exploit features of both two scales to boost classification performance. The third stage is to introduce a dispatch strategy of assigning each chromosome to a type within each patient case, by utilizing the domain knowledge of karyotyping. Evaluation results from 1909 karyotyping cases showed that the proposed Varifocal-Net achieved the highest accuracy per patient case (%) 99.2 for both type and polarity tasks. It outperformed state-of-the-art methods, demonstrating the effectiveness of our varifocal mechanism, multi-scale feature ensemble, and dispatch strategy. The proposed method has been applied to assist practical karyotype diagnosis.

  • 9 authors
·
Oct 13, 2018

One-Shot Neural Ensemble Architecture Search by Diversity-Guided Search Space Shrinking

Despite remarkable progress achieved, most neural architecture search (NAS) methods focus on searching for one single accurate and robust architecture. To further build models with better generalization capability and performance, model ensemble is usually adopted and performs better than stand-alone models. Inspired by the merits of model ensemble, we propose to search for multiple diverse models simultaneously as an alternative way to find powerful models. Searching for ensembles is non-trivial and has two key challenges: enlarged search space and potentially more complexity for the searched model. In this paper, we propose a one-shot neural ensemble architecture search (NEAS) solution that addresses the two challenges. For the first challenge, we introduce a novel diversity-based metric to guide search space shrinking, considering both the potentiality and diversity of candidate operators. For the second challenge, we enable a new search dimension to learn layer sharing among different models for efficiency purposes. The experiments on ImageNet clearly demonstrate that our solution can improve the supernet's capacity of ranking ensemble architectures, and further lead to better search results. The discovered architectures achieve superior performance compared with state-of-the-arts such as MobileNetV3 and EfficientNet families under aligned settings. Moreover, we evaluate the generalization ability and robustness of our searched architecture on the COCO detection benchmark and achieve a 3.1% improvement on AP compared with MobileNetV3. Codes and models are available at https://github.com/researchmm/NEAS.

  • 4 authors
·
Apr 1, 2021

Pathologies of Predictive Diversity in Deep Ensembles

Classic results establish that encouraging predictive diversity improves performance in ensembles of low-capacity models, e.g. through bagging or boosting. Here we demonstrate that these intuitions do not apply to high-capacity neural network ensembles (deep ensembles), and in fact the opposite is often true. In a large scale study of nearly 600 neural network classification ensembles, we examine a variety of interventions that trade off component model performance for predictive diversity. While such interventions can improve the performance of small neural network ensembles (in line with standard intuitions), they harm the performance of the large neural network ensembles most often used in practice. Surprisingly, we also find that discouraging predictive diversity is often benign in large-network ensembles, fully inverting standard intuitions. Even when diversity-promoting interventions do not sacrifice component model performance (e.g. using heterogeneous architectures and training paradigms), we observe an opportunity cost associated with pursuing increased predictive diversity. Examining over 1000 ensembles, we observe that the performance benefits of diverse architectures/training procedures are easily dwarfed by the benefits of simply using higher-capacity models, despite the fact that such higher capacity models often yield significantly less predictive diversity. Overall, our findings demonstrate that standard intuitions around predictive diversity, originally developed for low-capacity ensembles, do not directly apply to modern high-capacity deep ensembles. This work clarifies fundamental challenges to the goal of improving deep ensembles by making them more diverse, while suggesting an alternative path: simply forming ensembles from ever more powerful (and less diverse) component models.

  • 4 authors
·
Feb 1, 2023

Window-Based Early-Exit Cascades for Uncertainty Estimation: When Deep Ensembles are More Efficient than Single Models

Deep Ensembles are a simple, reliable, and effective method of improving both the predictive performance and uncertainty estimates of deep learning approaches. However, they are widely criticised as being computationally expensive, due to the need to deploy multiple independent models. Recent work has challenged this view, showing that for predictive accuracy, ensembles can be more computationally efficient (at inference) than scaling single models within an architecture family. This is achieved by cascading ensemble members via an early-exit approach. In this work, we investigate extending these efficiency gains to tasks related to uncertainty estimation. As many such tasks, e.g. selective classification, are binary classification, our key novel insight is to only pass samples within a window close to the binary decision boundary to later cascade stages. Experiments on ImageNet-scale data across a number of network architectures and uncertainty tasks show that the proposed window-based early-exit approach is able to achieve a superior uncertainty-computation trade-off compared to scaling single models. For example, a cascaded EfficientNet-B2 ensemble is able to achieve similar coverage at 5% risk as a single EfficientNet-B4 with <30% the number of MACs. We also find that cascades/ensembles give more reliable improvements on OOD data vs scaling models up. Code for this work is available at: https://github.com/Guoxoug/window-early-exit.

  • 2 authors
·
Mar 14, 2023

A Simple Zero-shot Prompt Weighting Technique to Improve Prompt Ensembling in Text-Image Models

Contrastively trained text-image models have the remarkable ability to perform zero-shot classification, that is, classifying previously unseen images into categories that the model has never been explicitly trained to identify. However, these zero-shot classifiers need prompt engineering to achieve high accuracy. Prompt engineering typically requires hand-crafting a set of prompts for individual downstream tasks. In this work, we aim to automate this prompt engineering and improve zero-shot accuracy through prompt ensembling. In particular, we ask "Given a large pool of prompts, can we automatically score the prompts and ensemble those that are most suitable for a particular downstream dataset, without needing access to labeled validation data?". We demonstrate that this is possible. In doing so, we identify several pathologies in a naive prompt scoring method where the score can be easily overconfident due to biases in pre-training and test data, and we propose a novel prompt scoring method that corrects for the biases. Using our proposed scoring method to create a weighted average prompt ensemble, our method outperforms equal average ensemble, as well as hand-crafted prompts, on ImageNet, 4 of its variants, and 11 fine-grained classification benchmarks, all while being fully automatic, optimization-free, and not requiring access to labeled validation data.

  • 8 authors
·
Feb 13, 2023

Recognizing Extended Spatiotemporal Expressions by Actively Trained Average Perceptron Ensembles

Precise geocoding and time normalization for text requires that location and time phrases be identified. Many state-of-the-art geoparsers and temporal parsers suffer from low recall. Categories commonly missed by parsers are: nouns used in a non- spatiotemporal sense, adjectival and adverbial phrases, prepositional phrases, and numerical phrases. We collected and annotated data set by querying commercial web searches API with such spatiotemporal expressions as were missed by state-of-the- art parsers. Due to the high cost of sentence annotation, active learning was used to label training data, and a new strategy was designed to better select training examples to reduce labeling cost. For the learning algorithm, we applied an average perceptron trained Featurized Hidden Markov Model (FHMM). Five FHMM instances were used to create an ensemble, with the output phrase selected by voting. Our ensemble model was tested on a range of sequential labeling tasks, and has shown competitive performance. Our contributions include (1) an new dataset annotated with named entities and expanded spatiotemporal expressions; (2) a comparison of inference algorithms for ensemble models showing the superior accuracy of Belief Propagation over Viterbi Decoding; (3) a new example re-weighting method for active ensemble learning that 'memorizes' the latest examples trained; (4) a spatiotemporal parser that jointly recognizes expanded spatiotemporal expressions as well as named entities.

  • 4 authors
·
Aug 19, 2015

A Deep Look into Neural Ranking Models for Information Retrieval

Ranking models lie at the heart of research on information retrieval (IR). During the past decades, different techniques have been proposed for constructing ranking models, from traditional heuristic methods, probabilistic methods, to modern machine learning methods. Recently, with the advance of deep learning technology, we have witnessed a growing body of work in applying shallow or deep neural networks to the ranking problem in IR, referred to as neural ranking models in this paper. The power of neural ranking models lies in the ability to learn from the raw text inputs for the ranking problem to avoid many limitations of hand-crafted features. Neural networks have sufficient capacity to model complicated tasks, which is needed to handle the complexity of relevance estimation in ranking. Since there have been a large variety of neural ranking models proposed, we believe it is the right time to summarize the current status, learn from existing methodologies, and gain some insights for future development. In contrast to existing reviews, in this survey, we will take a deep look into the neural ranking models from different dimensions to analyze their underlying assumptions, major design principles, and learning strategies. We compare these models through benchmark tasks to obtain a comprehensive empirical understanding of the existing techniques. We will also discuss what is missing in the current literature and what are the promising and desired future directions.

  • 9 authors
·
Mar 16, 2019

einspace: Searching for Neural Architectures from Fundamental Operations

Neural architecture search (NAS) finds high performing networks for a given task. Yet the results of NAS are fairly prosaic; they did not e.g. create a shift from convolutional structures to transformers. This is not least because the search spaces in NAS often aren't diverse enough to include such transformations a priori. Instead, for NAS to provide greater potential for fundamental design shifts, we need a novel expressive search space design which is built from more fundamental operations. To this end, we introduce einspace, a search space based on a parameterised probabilistic context-free grammar. Our space is versatile, supporting architectures of various sizes and complexities, while also containing diverse network operations which allow it to model convolutions, attention components and more. It contains many existing competitive architectures, and provides flexibility for discovering new ones. Using this search space, we perform experiments to find novel architectures as well as improvements on existing ones on the diverse Unseen NAS datasets. We show that competitive architectures can be obtained by searching from scratch, and we consistently find large improvements when initialising the search with strong baselines. We believe that this work is an important advancement towards a transformative NAS paradigm where search space expressivity and strategic search initialisation play key roles.

  • 8 authors
·
May 31, 2024

Word and Document Embeddings based on Neural Network Approaches

Data representation is a fundamental task in machine learning. The representation of data affects the performance of the whole machine learning system. In a long history, the representation of data is done by feature engineering, and researchers aim at designing better features for specific tasks. Recently, the rapid development of deep learning and representation learning has brought new inspiration to various domains. In natural language processing, the most widely used feature representation is the Bag-of-Words model. This model has the data sparsity problem and cannot keep the word order information. Other features such as part-of-speech tagging or more complex syntax features can only fit for specific tasks in most cases. This thesis focuses on word representation and document representation. We compare the existing systems and present our new model. First, for generating word embeddings, we make comprehensive comparisons among existing word embedding models. In terms of theory, we figure out the relationship between the two most important models, i.e., Skip-gram and GloVe. In our experiments, we analyze three key points in generating word embeddings, including the model construction, the training corpus and parameter design. We evaluate word embeddings with three types of tasks, and we argue that they cover the existing use of word embeddings. Through theory and practical experiments, we present some guidelines for how to generate a good word embedding. Second, in Chinese character or word representation. We introduce the joint training of Chinese character and word. ... Third, for document representation, we analyze the existing document representation models, including recursive NNs, recurrent NNs and convolutional NNs. We point out the drawbacks of these models and present our new model, the recurrent convolutional neural networks. ...

  • 1 authors
·
Nov 17, 2016

DefSent+: Improving sentence embeddings of language models by projecting definition sentences into a quasi-isotropic or isotropic vector space of unlimited dictionary entries

This paper presents a significant improvement on the previous conference paper known as DefSent. The prior study seeks to improve sentence embeddings of language models by projecting definition sentences into the vector space of dictionary entries. We discover that this approach is not fully explored due to the methodological limitation of using word embeddings of language models to represent dictionary entries. This leads to two hindrances. First, dictionary entries are constrained by the single-word vocabulary, and thus cannot be fully exploited. Second, semantic representations of language models are known to be anisotropic, but pre-processing word embeddings for DefSent is not allowed because its weight is frozen during training and tied to the prediction layer. In this paper, we propose a novel method to progressively build entry embeddings not subject to the limitations. As a result, definition sentences can be projected into a quasi-isotropic or isotropic vector space of unlimited dictionary entries, so that sentence embeddings of noticeably better quality are attainable. We abbreviate our approach as DefSent+ (a plus version of DefSent), involving the following strengths: 1) the task performance on measuring sentence similarities is significantly improved compared to DefSent; 2) when DefSent+ is used to further train data-augmented models like SIMCSE, SNCSE, and SynCSE, state-of-the-art performance on measuring sentence similarities can be achieved among the approaches without using manually labeled datasets; 3) DefSent+ is also competitive in feature-based transfer for NLP downstream tasks.

  • 1 authors
·
May 25, 2024

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 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. 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 identify an issue of WiSE-FT caused by the overconfidence of fine-tuned models in OOD situations. This overconfidence magnifies the fine-tuned model's incorrect prediction, leading to deteriorated OOD ensemble performance. To remedy this problem, we propose a novel method called BAlaNced averaGing (BANG), which significantly enhances the OOD performance of WiSE-FT.

  • 8 authors
·
Sep 29, 2023

Deep Learning Applied to Image and Text Matching

The ability to describe images with natural language sentences is the hallmark for image and language understanding. Such a system has wide ranging applications such as annotating images and using natural sentences to search for images.In this project we focus on the task of bidirectional image retrieval: such asystem is capable of retrieving an image based on a sentence (image search) andretrieve sentence based on an image query (image annotation). We present asystem based on a global ranking objective function which uses a combinationof convolutional neural networks (CNN) and multi layer perceptrons (MLP).It takes a pair of image and sentence and processes them in different channels,finally embedding it into a common multimodal vector space. These embeddingsencode abstract semantic information about the two inputs and can be comparedusing traditional information retrieval approaches. For each such pair, the modelreturns a score which is interpretted as a similarity metric. If this score is high,the image and sentence are likely to convey similar meaning, and if the score is low then they are likely not to. The visual input is modeled via deep convolutional neural network. On theother hand we explore three models for the textual module. The first one isbag of words with an MLP. The second one uses n-grams (bigram, trigrams,and a combination of trigram & skip-grams) with an MLP. The third is morespecialized deep network specific for modeling variable length sequences (SSE).We report comparable performance to recent work in the field, even though ouroverall model is simpler. We also show that the training time choice of how wecan generate our negative samples has a significant impact on performance, and can be used to specialize the bi-directional system in one particular task.

  • 1 authors
·
Sep 14, 2015

Contrastive Learning and Mixture of Experts Enables Precise Vector Embeddings

The advancement of transformer neural networks has significantly elevated the capabilities of sentence similarity models, particularly in creating effective vector representations of natural language inputs. However, these models face notable challenges in domain-specific contexts, especially in highly specialized scientific sub-fields. Traditional methods often struggle in this regime, either overgeneralizing similarities within a niche or being overly sensitive to minor differences, resulting in inaccurate text classification and subpar vector representation. In an era where retrieval augmentation and search are increasingly crucial, precise and concise numerical representations are essential. In this paper, we target this issue by assembling niche datasets using co-citations as a similarity metric, focusing on biomedical domains. We employ two key strategies for fine-tuning state-of-the-art models: 1. Domain-specific Fine-Tuning, which tailors pretrained models to a single domain, and 2. Universal Applicability with Mixture of Experts (MoE), adapting pretrained models with enforced routing for multiple domains simultaneously. Our training approach emphasizes the use of abstracts for faster training, incorporating Multiple Negative Rankings loss for efficient contrastive learning. Notably, our MoE variants, equipped with N experts, achieve the efficacy of N individual models, heralding a new era of versatile, One-Size-Fits-All transformer networks for various tasks. This methodology marks significant advancements in scientific text classification metrics and holds promise for enhancing vector database search and compilation.

  • 4 authors
·
Jan 28, 2024

Model soups: averaging weights of multiple fine-tuned models improves accuracy without increasing inference time

The conventional recipe for maximizing model accuracy is to (1) train multiple models with various hyperparameters and (2) pick the individual model which performs best on a held-out validation set, discarding the remainder. In this paper, we revisit the second step of this procedure in the context of fine-tuning large pre-trained models, where fine-tuned models often appear to lie in a single low error basin. We show that averaging the weights of multiple models fine-tuned with different hyperparameter configurations often improves accuracy and robustness. Unlike a conventional ensemble, we may average many models without incurring any additional inference or memory costs -- we call the results "model soups." When fine-tuning large pre-trained models such as CLIP, ALIGN, and a ViT-G pre-trained on JFT, our soup recipe provides significant improvements over the best model in a hyperparameter sweep on ImageNet. The resulting ViT-G model, which attains 90.94% top-1 accuracy on ImageNet, achieved a new state of the art. Furthermore, we show that the model soup approach extends to multiple image classification and natural language processing tasks, improves out-of-distribution performance, and improves zero-shot performance on new downstream tasks. Finally, we analytically relate the performance similarity of weight-averaging and logit-ensembling to flatness of the loss and confidence of the predictions, and validate this relation empirically. Code is available at https://github.com/mlfoundations/model-soups.

  • 11 authors
·
Mar 10, 2022

Evaluating Uncertainty Quantification approaches for Neural PDEs in scientific applications

The accessibility of spatially distributed data, enabled by affordable sensors, field, and numerical experiments, has facilitated the development of data-driven solutions for scientific problems, including climate change, weather prediction, and urban planning. Neural Partial Differential Equations (Neural PDEs), which combine deep learning (DL) techniques with domain expertise (e.g., governing equations) for parameterization, have proven to be effective in capturing valuable correlations within spatiotemporal datasets. However, sparse and noisy measurements coupled with modeling approximation introduce aleatoric and epistemic uncertainties. Therefore, quantifying uncertainties propagated from model inputs to outputs remains a challenge and an essential goal for establishing the trustworthiness of Neural PDEs. This work evaluates various Uncertainty Quantification (UQ) approaches for both Forward and Inverse Problems in scientific applications. Specifically, we investigate the effectiveness of Bayesian methods, such as Hamiltonian Monte Carlo (HMC) and Monte-Carlo Dropout (MCD), and a more conventional approach, Deep Ensembles (DE). To illustrate their performance, we take two canonical PDEs: Burger's equation and the Navier-Stokes equation. Our results indicate that Neural PDEs can effectively reconstruct flow systems and predict the associated unknown parameters. However, it is noteworthy that the results derived from Bayesian methods, based on our observations, tend to display a higher degree of certainty in their predictions as compared to those obtained using the DE. This elevated certainty in predictions suggests that Bayesian techniques might underestimate the true underlying uncertainty, thereby appearing more confident in their predictions than the DE approach.

Scalable Attentive Sentence-Pair Modeling via Distilled Sentence Embedding

Recent state-of-the-art natural language understanding models, such as BERT and XLNet, score a pair of sentences (A and B) using multiple cross-attention operations - a process in which each word in sentence A attends to all words in sentence B and vice versa. As a result, computing the similarity between a query sentence and a set of candidate sentences, requires the propagation of all query-candidate sentence-pairs throughout a stack of cross-attention layers. This exhaustive process becomes computationally prohibitive when the number of candidate sentences is large. In contrast, sentence embedding techniques learn a sentence-to-vector mapping and compute the similarity between the sentence vectors via simple elementary operations. In this paper, we introduce Distilled Sentence Embedding (DSE) - a model that is based on knowledge distillation from cross-attentive models, focusing on sentence-pair tasks. The outline of DSE is as follows: Given a cross-attentive teacher model (e.g. a fine-tuned BERT), we train a sentence embedding based student model to reconstruct the sentence-pair scores obtained by the teacher model. We empirically demonstrate the effectiveness of DSE on five GLUE sentence-pair tasks. DSE significantly outperforms several ELMO variants and other sentence embedding methods, while accelerating computation of the query-candidate sentence-pairs similarities by several orders of magnitude, with an average relative degradation of 4.6% compared to BERT. Furthermore, we show that DSE produces sentence embeddings that reach state-of-the-art performance on universal sentence representation benchmarks. Our code is made publicly available at https://github.com/microsoft/Distilled-Sentence-Embedding.

  • 6 authors
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Aug 14, 2019

TabM: Advancing Tabular Deep Learning with Parameter-Efficient Ensembling

Deep learning architectures for supervised learning on tabular data range from simple multilayer perceptrons (MLP) to sophisticated Transformers and retrieval-augmented methods. This study highlights a major, yet so far overlooked opportunity for designing substantially better MLP-based tabular architectures. Namely, our new model TabM relies on efficient ensembling, where one TabM efficiently imitates an ensemble of MLPs and produces multiple predictions per object. Compared to a traditional deep ensemble, in TabM, the underlying implicit MLPs are trained simultaneously, and (by default) share most of their parameters, which results in significantly better performance and efficiency. Using TabM as a new baseline, we perform a large-scale evaluation of tabular DL architectures on public benchmarks in terms of both task performance and efficiency, which renders the landscape of tabular DL in a new light. Generally, we show that MLPs, including TabM, form a line of stronger and more practical models compared to attention- and retrieval-based architectures. In particular, we find that TabM demonstrates the best performance among tabular DL models. Then, we conduct an empirical analysis on the ensemble-like nature of TabM. We observe that the multiple predictions of TabM are weak individually, but powerful collectively. Overall, our work brings an impactful technique to tabular DL and advances the performance-efficiency trade-off with TabM -- a simple and powerful baseline for researchers and practitioners.

  • 3 authors
·
Oct 31, 2024

LEVI: Generalizable Fine-tuning via Layer-wise Ensemble of Different Views

Fine-tuning is becoming widely used for leveraging the power of pre-trained foundation models in new downstream tasks. While there are many successes of fine-tuning on various tasks, recent studies have observed challenges in the generalization of fine-tuned models to unseen distributions (i.e., out-of-distribution; OOD). To improve OOD generalization, some previous studies identify the limitations of fine-tuning data and regulate fine-tuning to preserve the general representation learned from pre-training data. However, potential limitations in the pre-training data and models are often ignored. In this paper, we contend that overly relying on the pre-trained representation may hinder fine-tuning from learning essential representations for downstream tasks and thus hurt its OOD generalization. It can be especially catastrophic when new tasks are from different (sub)domains compared to pre-training data. To address the issues in both pre-training and fine-tuning data, we propose a novel generalizable fine-tuning method LEVI (Layer-wise Ensemble of different VIews), where the pre-trained model is adaptively ensembled layer-wise with a small task-specific model, while preserving its efficiencies. By combining two complementing models, LEVI effectively suppresses problematic features in both the fine-tuning data and pre-trained model and preserves useful features for new tasks. Broad experiments with large language and vision models show that LEVI greatly improves fine-tuning generalization via emphasizing different views from fine-tuning data and pre-trained features.

  • 11 authors
·
Feb 7, 2024

Diverse Beam Search: Decoding Diverse Solutions from Neural Sequence Models

Neural sequence models are widely used to model time-series data. Equally ubiquitous is the usage of beam search (BS) as an approximate inference algorithm to decode output sequences from these models. BS explores the search space in a greedy left-right fashion retaining only the top-B candidates - resulting in sequences that differ only slightly from each other. Producing lists of nearly identical sequences is not only computationally wasteful but also typically fails to capture the inherent ambiguity of complex AI tasks. To overcome this problem, we propose Diverse Beam Search (DBS), an alternative to BS that decodes a list of diverse outputs by optimizing for a diversity-augmented objective. We observe that our method finds better top-1 solutions by controlling for the exploration and exploitation of the search space - implying that DBS is a better search algorithm. Moreover, these gains are achieved with minimal computational or memory over- head as compared to beam search. To demonstrate the broad applicability of our method, we present results on image captioning, machine translation and visual question generation using both standard quantitative metrics and qualitative human studies. Further, we study the role of diversity for image-grounded language generation tasks as the complexity of the image changes. We observe that our method consistently outperforms BS and previously proposed techniques for diverse decoding from neural sequence models.

  • 7 authors
·
Oct 7, 2016

Attention is All You Need? Good Embeddings with Statistics are enough:Large Scale Audio Understanding without Transformers/ Convolutions/ BERTs/ Mixers/ Attention/ RNNs or ....

This paper presents a way of doing large scale audio understanding without traditional state of the art neural architectures. Ever since the introduction of deep learning for understanding audio signals in the past decade, convolutional architectures have been able to achieve state of the art results surpassing traditional hand-crafted features. In the recent past, there has been a similar shift away from traditional convolutional and recurrent neural networks towards purely end-to-end Transformer architectures. We, in this work, explore an approach, based on Bag-of-Words model. Our approach does not have any convolutions, recurrence, attention, transformers or other approaches such as BERT. We utilize micro and macro level clustered vanilla embeddings, and use a MLP head for classification. We only use feed-forward encoder-decoder models to get the bottlenecks of spectral envelops, spectral patches and slices as well as multi-resolution spectra. A classification head (a feed-forward layer), similar to the approach in SimCLR is trained on a learned representation. Using simple codes learned on latent representations, we show how we surpass traditional convolutional neural network architectures, and come strikingly close to outperforming powerful Transformer architectures. This work hopefully would pave way for exciting advancements in the field of representation learning without massive, end-to-end neural architectures.

  • 1 authors
·
Oct 7, 2021

Low Rank Factorization for Compact Multi-Head Self-Attention

Effective representation learning from text has been an active area of research in the fields of NLP and text mining. Attention mechanisms have been at the forefront in order to learn contextual sentence representations. Current state-of-the-art approaches for many NLP tasks use large pre-trained language models such as BERT, XLNet and so on for learning representations. These models are based on the Transformer architecture that involves recurrent blocks of computation consisting of multi-head self-attention and feedforward networks. One of the major bottlenecks largely contributing to the computational complexity of the Transformer models is the self-attention layer, that is both computationally expensive and parameter intensive. In this work, we introduce a novel multi-head self-attention mechanism operating on GRUs that is shown to be computationally cheaper and more parameter efficient than self-attention mechanism proposed in Transformers for text classification tasks. The efficiency of our approach mainly stems from two optimizations; 1) we use low-rank matrix factorization of the affinity matrix to efficiently get multiple attention distributions instead of having separate parameters for each head 2) attention scores are obtained by querying a global context vector instead of densely querying all the words in the sentence. We evaluate the performance of the proposed model on tasks such as sentiment analysis from movie reviews, predicting business ratings from reviews and classifying news articles into topics. We find that the proposed approach matches or outperforms a series of strong baselines and is more parameter efficient than comparable multi-head approaches. We also perform qualitative analyses to verify that the proposed approach is interpretable and captures context-dependent word importance.

  • 3 authors
·
Nov 26, 2019

KaLM-Embedding-V2: Superior Training Techniques and Data Inspire A Versatile Embedding Model

In this paper, we propose KaLM-Embedding-V2, a versatile and compact embedding model, which achieves impressive performance in general-purpose text embedding tasks by leveraging superior training techniques and data. Our key innovations include: (1) To better align the architecture with representation learning, we remove the causal attention mask and adopt a fully bidirectional transformer with simple yet effective mean-pooling to produce fixed-length embeddings; (2) We employ a multi-stage training pipeline: (i) pre-training on large-scale weakly supervised open-source corpora; (ii) fine-tuning on high-quality retrieval and non-retrieval datasets; and (iii) model-soup parameter averaging for robust generalization. Besides, we introduce a focal-style reweighting mechanism that concentrates learning on difficult samples and an online hard-negative mixing strategy to continuously enrich hard negatives without expensive offline mining; (3) We collect over 20 categories of data for pre-training and 100 categories of data for fine-tuning, to boost both the performance and generalization of the embedding model. Extensive evaluations on the Massive Text Embedding Benchmark (MTEB) Chinese and English show that our model significantly outperforms others of comparable size, and competes with 3x, 14x, 18x, and 26x larger embedding models, setting a new standard for a versatile and compact embedding model with less than 1B parameters.

KaLM-Embedding KaLM-Embedding
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Jun 25

Exact Learning of Permutations for Nonzero Binary Inputs with Logarithmic Training Size and Quadratic Ensemble Complexity

The ability of an architecture to realize permutations is quite fundamental. For example, Large Language Models need to be able to correctly copy (and perhaps rearrange) parts of the input prompt into the output. Classical universal approximation theorems guarantee the existence of parameter configurations that solve this task but offer no insights into whether gradient-based algorithms can find them. In this paper, we address this gap by focusing on two-layer fully connected feed-forward neural networks and the task of learning permutations on nonzero binary inputs. We show that in the infinite width Neural Tangent Kernel (NTK) regime, an ensemble of such networks independently trained with gradient descent on only the k standard basis vectors out of 2^k - 1 possible inputs successfully learns any fixed permutation of length k with arbitrarily high probability. By analyzing the exact training dynamics, we prove that the network's output converges to a Gaussian process whose mean captures the ground truth permutation via sign-based features. We then demonstrate how averaging these runs (an "ensemble" method) and applying a simple rounding step yields an arbitrarily accurate prediction on any possible input unseen during training. Notably, the number of models needed to achieve exact learning with high probability (which we refer to as ensemble complexity) exhibits a linearithmic dependence on the input size k for a single test input and a quadratic dependence when considering all test inputs simultaneously.

  • 3 authors
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Feb 23

On the Theoretical Limitations of Embedding-Based Retrieval

Vector embeddings have been tasked with an ever-increasing set of retrieval tasks over the years, with a nascent rise in using them for reasoning, instruction-following, coding, and more. These new benchmarks push embeddings to work for any query and any notion of relevance that could be given. While prior works have pointed out theoretical limitations of vector embeddings, there is a common assumption that these difficulties are exclusively due to unrealistic queries, and those that are not can be overcome with better training data and larger models. In this work, we demonstrate that we may encounter these theoretical limitations in realistic settings with extremely simple queries. We connect known results in learning theory, showing that the number of top-k subsets of documents capable of being returned as the result of some query is limited by the dimension of the embedding. We empirically show that this holds true even if we restrict to k=2, and directly optimize on the test set with free parameterized embeddings. We then create a realistic dataset called LIMIT that stress tests models based on these theoretical results, and observe that even state-of-the-art models fail on this dataset despite the simple nature of the task. Our work shows the limits of embedding models under the existing single vector paradigm and calls for future research to develop methods that can resolve this fundamental limitation.

  • 4 authors
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Aug 28 1

Ten Lessons We Have Learned in the New "Sparseland": A Short Handbook for Sparse Neural Network Researchers

This article does not propose any novel algorithm or new hardware for sparsity. Instead, it aims to serve the "common good" for the increasingly prosperous Sparse Neural Network (SNN) research community. We attempt to summarize some most common confusions in SNNs, that one may come across in various scenarios such as paper review/rebuttal and talks - many drawn from the authors' own bittersweet experiences! We feel that doing so is meaningful and timely, since the focus of SNN research is notably shifting from traditional pruning to more diverse and profound forms of sparsity before, during, and after training. The intricate relationships between their scopes, assumptions, and approaches lead to misunderstandings, for non-experts or even experts in SNNs. In response, we summarize ten Q\&As of SNNs from many key aspects, including dense vs. sparse, unstructured sparse vs. structured sparse, pruning vs. sparse training, dense-to-sparse training vs. sparse-to-sparse training, static sparsity vs. dynamic sparsity, before-training/during-training vs. post-training sparsity, and many more. We strive to provide proper and generically applicable answers to clarify those confusions to the best extent possible. We hope our summary provides useful general knowledge for people who want to enter and engage with this exciting community; and also provides some "mind of ease" convenience for SNN researchers to explain their work in the right contexts. At the very least (and perhaps as this article's most insignificant target functionality), if you are writing/planning to write a paper or rebuttal in the field of SNNs, we hope some of our answers could help you!

  • 2 authors
·
Feb 6, 2023

Bag of Tricks for Effective Language Model Pretraining and Downstream Adaptation: A Case Study on GLUE

This technical report briefly describes our JDExplore d-team's submission Vega v1 on the General Language Understanding Evaluation (GLUE) leaderboard, where GLUE is a collection of nine natural language understanding tasks, including question answering, linguistic acceptability, sentiment analysis, text similarity, paraphrase detection, and natural language inference. [Method] We investigate several effective strategies and choose their best combination setting as the training recipes. As for model structure, we employ the vanilla Transformer with disentangled attention as the basic block encoder. For self-supervised training, we employ the representative denoising objective (i.e., replaced token detection) in phase 1 and combine the contrastive objective (i.e., sentence embedding contrastive learning) with it in phase 2. During fine-tuning, several advanced techniques such as transductive fine-tuning, self-calibrated fine-tuning, and adversarial fine-tuning are adopted. [Results] According to our submission record (Jan. 2022), with our optimized pretraining and fine-tuning strategies, our 1.3 billion model sets new state-of-the-art on 4/9 tasks, achieving the best average score of 91.3. Encouragingly, our Vega v1 is the first to exceed powerful human performance on the two challenging tasks, i.e., SST-2 and WNLI. We believe our empirically successful recipe with a bag of tricks could shed new light on developing efficient discriminative large language models.

  • 8 authors
·
Feb 18, 2023

Overlooked factors in concept-based explanations: Dataset choice, concept learnability, and human capability

Concept-based interpretability methods aim to explain deep neural network model predictions using a predefined set of semantic concepts. These methods evaluate a trained model on a new, "probe" dataset and correlate model predictions with the visual concepts labeled in that dataset. Despite their popularity, they suffer from limitations that are not well-understood and articulated by the literature. In this work, we analyze three commonly overlooked factors in concept-based explanations. First, the choice of the probe dataset has a profound impact on the generated explanations. Our analysis reveals that different probe datasets may lead to very different explanations, and suggests that the explanations are not generalizable outside the probe dataset. Second, we find that concepts in the probe dataset are often less salient and harder to learn than the classes they claim to explain, calling into question the correctness of the explanations. We argue that only visually salient concepts should be used in concept-based explanations. Finally, while existing methods use hundreds or even thousands of concepts, our human studies reveal a much stricter upper bound of 32 concepts or less, beyond which the explanations are much less practically useful. We make suggestions for future development and analysis of concept-based interpretability methods. Code for our analysis and user interface can be found at https://github.com/princetonvisualai/OverlookedFactors

  • 4 authors
·
Jul 19, 2022

Vector representations of text data in deep learning

In this dissertation we report results of our research on dense distributed representations of text data. We propose two novel neural models for learning such representations. The first model learns representations at the document level, while the second model learns word-level representations. For document-level representations we propose Binary Paragraph Vector: a neural network models for learning binary representations of text documents, which can be used for fast document retrieval. We provide a thorough evaluation of these models and demonstrate that they outperform the seminal method in the field in the information retrieval task. We also report strong results in transfer learning settings, where our models are trained on a generic text corpus and then used to infer codes for documents from a domain-specific dataset. In contrast to previously proposed approaches, Binary Paragraph Vector models learn embeddings directly from raw text data. For word-level representations we propose Disambiguated Skip-gram: a neural network model for learning multi-sense word embeddings. Representations learned by this model can be used in downstream tasks, like part-of-speech tagging or identification of semantic relations. In the word sense induction task Disambiguated Skip-gram outperforms state-of-the-art models on three out of four benchmarks datasets. Our model has an elegant probabilistic interpretation. Furthermore, unlike previous models of this kind, it is differentiable with respect to all its parameters and can be trained with backpropagation. In addition to quantitative results, we present qualitative evaluation of Disambiguated Skip-gram, including two-dimensional visualisations of selected word-sense embeddings.

  • 1 authors
·
Jan 7, 2019

Towards Competitive Search Relevance For Inference-Free Learned Sparse Retrievers

Learned sparse retrieval, which can efficiently perform retrieval through mature inverted-index engines, has garnered growing attention in recent years. Particularly, the inference-free sparse retrievers are attractive as they eliminate online model inference in the retrieval phase thereby avoids huge computational cost, offering reasonable throughput and latency. However, even the state-of-the-art (SOTA) inference-free sparse models lag far behind in terms of search relevance when compared to both sparse and dense siamese models. Towards competitive search relevance for inference-free sparse retrievers, we argue that they deserve dedicated training methods other than using same ones with siamese encoders. In this paper, we propose two different approaches for performance improvement. First, we introduce the IDF-aware FLOPS loss, which introduces Inverted Document Frequency (IDF) to the sparsification of representations. We find that it mitigates the negative impact of the FLOPS regularization on search relevance, allowing the model to achieve a better balance between accuracy and efficiency. Moreover, we propose a heterogeneous ensemble knowledge distillation framework that combines siamese dense and sparse retrievers to generate supervisory signals during the pre-training phase. The ensemble framework of dense and sparse retriever capitalizes on their strengths respectively, providing a strong upper bound for knowledge distillation. To concur the diverse feedback from heterogeneous supervisors, we normalize and then aggregate the outputs of the teacher models to eliminate score scale differences. On the BEIR benchmark, our model outperforms existing SOTA inference-free sparse model by 3.3 NDCG@10 score. It exhibits search relevance comparable to siamese sparse retrievers and client-side latency only 1.1x that of BM25.

  • 3 authors
·
Nov 6, 2024

Data Factors for Better Compositional Generalization

Recent diagnostic datasets on compositional generalization, such as SCAN (Lake and Baroni, 2018) and COGS (Kim and Linzen, 2020), expose severe problems in models trained from scratch on these datasets. However, in contrast to this poor performance, state-of-the-art models trained on larger and more general datasets show better generalization ability. In this work, to reconcile this inconsistency, we conduct an empirical analysis by training Transformer models on a variety of training sets with different data factors, including dataset scale, pattern complexity, example difficulty, etc. First, we show that increased dataset complexity can lead to better generalization behavior on multiple different generalization challenges. To further understand this improvement, we show two axes of the benefit from more complex datasets: they provide more diverse examples so compositional understanding becomes more effective, and they also prevent ungeneralizable memorization of the examples due to reduced example repetition frequency. Finally, we explore how training examples of different difficulty levels influence generalization differently. On synthetic datasets, simple examples invoke stronger compositionality than hard examples do. On larger-scale real language datasets, while hard examples become more important potentially to ensure decent data coverage, a balanced mixture of simple and hard examples manages to induce the strongest generalizability. The code and data for this work are available at https://github.com/owenzx/data4comp

  • 3 authors
·
Nov 7, 2023

Language-Guided Music Recommendation for Video via Prompt Analogies

We propose a method to recommend music for an input video while allowing a user to guide music selection with free-form natural language. A key challenge of this problem setting is that existing music video datasets provide the needed (video, music) training pairs, but lack text descriptions of the music. This work addresses this challenge with the following three contributions. First, we propose a text-synthesis approach that relies on an analogy-based prompting procedure to generate natural language music descriptions from a large-scale language model (BLOOM-176B) given pre-trained music tagger outputs and a small number of human text descriptions. Second, we use these synthesized music descriptions to train a new trimodal model, which fuses text and video input representations to query music samples. For training, we introduce a text dropout regularization mechanism which we show is critical to model performance. Our model design allows for the retrieved music audio to agree with the two input modalities by matching visual style depicted in the video and musical genre, mood, or instrumentation described in the natural language query. Third, to evaluate our approach, we collect a testing dataset for our problem by annotating a subset of 4k clips from the YT8M-MusicVideo dataset with natural language music descriptions which we make publicly available. We show that our approach can match or exceed the performance of prior methods on video-to-music retrieval while significantly improving retrieval accuracy when using text guidance.

  • 4 authors
·
Jun 15, 2023

Learning General Audio Representations with Large-Scale Training of Patchout Audio Transformers

The success of supervised deep learning methods is largely due to their ability to learn relevant features from raw data. Deep Neural Networks (DNNs) trained on large-scale datasets are capable of capturing a diverse set of features, and learning a representation that can generalize onto unseen tasks and datasets that are from the same domain. Hence, these models can be used as powerful feature extractors, in combination with shallower models as classifiers, for smaller tasks and datasets where the amount of training data is insufficient for learning an end-to-end model from scratch. During the past years, Convolutional Neural Networks (CNNs) have largely been the method of choice for audio processing. However, recently attention-based transformer models have demonstrated great potential in supervised settings, outperforming CNNs. In this work, we investigate the use of audio transformers trained on large-scale datasets to learn general-purpose representations. We study how the different setups in these audio transformers affect the quality of their embeddings. We experiment with the models' time resolution, extracted embedding level, and receptive fields in order to see how they affect performance on a variety of tasks and datasets, following the HEAR 2021 NeurIPS challenge evaluation setup. Our results show that representations extracted by audio transformers outperform CNN representations. Furthermore, we will show that transformers trained on Audioset can be extremely effective representation extractors for a wide range of downstream tasks.

  • 6 authors
·
Nov 25, 2022

Wide and Deep Neural Networks Achieve Optimality for Classification

While neural networks are used for classification tasks across domains, a long-standing open problem in machine learning is determining whether neural networks trained using standard procedures are optimal for classification, i.e., whether such models minimize the probability of misclassification for arbitrary data distributions. In this work, we identify and construct an explicit set of neural network classifiers that achieve optimality. Since effective neural networks in practice are typically both wide and deep, we analyze infinitely wide networks that are also infinitely deep. In particular, using the recent connection between infinitely wide neural networks and Neural Tangent Kernels, we provide explicit activation functions that can be used to construct networks that achieve optimality. Interestingly, these activation functions are simple and easy to implement, yet differ from commonly used activations such as ReLU or sigmoid. More generally, we create a taxonomy of infinitely wide and deep networks and show that these models implement one of three well-known classifiers depending on the activation function used: (1) 1-nearest neighbor (model predictions are given by the label of the nearest training example); (2) majority vote (model predictions are given by the label of the class with greatest representation in the training set); or (3) singular kernel classifiers (a set of classifiers containing those that achieve optimality). Our results highlight the benefit of using deep networks for classification tasks, in contrast to regression tasks, where excessive depth is harmful.

  • 3 authors
·
Apr 29, 2022

CNN Features off-the-shelf: an Astounding Baseline for Recognition

Recent results indicate that the generic descriptors extracted from the convolutional neural networks are very powerful. This paper adds to the mounting evidence that this is indeed the case. We report on a series of experiments conducted for different recognition tasks using the publicly available code and model of the \overfeat network which was trained to perform object classification on ILSVRC13. We use features extracted from the \overfeat network as a generic image representation to tackle the diverse range of recognition tasks of object image classification, scene recognition, fine grained recognition, attribute detection and image retrieval applied to a diverse set of datasets. We selected these tasks and datasets as they gradually move further away from the original task and data the \overfeat network was trained to solve. Astonishingly, we report consistent superior results compared to the highly tuned state-of-the-art systems in all the visual classification tasks on various datasets. For instance retrieval it consistently outperforms low memory footprint methods except for sculptures dataset. The results are achieved using a linear SVM classifier (or L2 distance in case of retrieval) applied to a feature representation of size 4096 extracted from a layer in the net. The representations are further modified using simple augmentation techniques e.g. jittering. The results strongly suggest that features obtained from deep learning with convolutional nets should be the primary candidate in most visual recognition tasks.

  • 4 authors
·
Mar 23, 2014

Improved Active Multi-Task Representation Learning via Lasso

To leverage the copious amount of data from source tasks and overcome the scarcity of the target task samples, representation learning based on multi-task pretraining has become a standard approach in many applications. However, up until now, most existing works design a source task selection strategy from a purely empirical perspective. Recently, chen2022active gave the first active multi-task representation learning (A-MTRL) algorithm which adaptively samples from source tasks and can provably reduce the total sample complexity using the L2-regularized-target-source-relevance parameter nu^2. But their work is theoretically suboptimal in terms of total source sample complexity and is less practical in some real-world scenarios where sparse training source task selection is desired. In this paper, we address both issues. Specifically, we show the strict dominance of the L1-regularized-relevance-based (nu^1-based) strategy by giving a lower bound for the nu^2-based strategy. When nu^1 is unknown, we propose a practical algorithm that uses the LASSO program to estimate nu^1. Our algorithm successfully recovers the optimal result in the known case. In addition to our sample complexity results, we also characterize the potential of our nu^1-based strategy in sample-cost-sensitive settings. Finally, we provide experiments on real-world computer vision datasets to illustrate the effectiveness of our proposed method.

  • 4 authors
·
Jun 4, 2023

Class-dependent Compression of Deep Neural Networks

Today's deep neural networks require substantial computation resources for their training, storage, and inference, which limits their effective use on resource-constrained devices. Many recent research activities explore different options for compressing and optimizing deep models. On the one hand, in many real-world applications, we face the data imbalance challenge, i.e. when the number of labeled instances of one class considerably outweighs the number of labeled instances of the other class. On the other hand, applications may pose a class imbalance problem, i.e. higher number of false positives produced when training a model and optimizing its performance may be tolerable, yet the number of false negatives must stay low. The problem originates from the fact that some classes are more important for the application than others, e.g. detection problems in medical and surveillance domains. Motivated by the success of the lottery ticket hypothesis, in this paper we propose an iterative deep model compression technique, which keeps the number of false negatives of the compressed model close to the one of the original model at the price of increasing the number of false positives if necessary. Our experimental evaluation using two benchmark data sets shows that the resulting compressed sub-networks 1) achieve up to 35% lower number of false negatives than the compressed model without class optimization, 2) provide an overall higher AUC_ROC measure, and 3) use up to 99% fewer parameters compared to the original network.

  • 2 authors
·
Sep 23, 2019

MEAL V2: Boosting Vanilla ResNet-50 to 80%+ Top-1 Accuracy on ImageNet without Tricks

We introduce a simple yet effective distillation framework that is able to boost the vanilla ResNet-50 to 80%+ Top-1 accuracy on ImageNet without tricks. We construct such a framework through analyzing the problems in the existing classification system and simplify the base method ensemble knowledge distillation via discriminators by: (1) adopting the similarity loss and discriminator only on the final outputs and (2) using the average of softmax probabilities from all teacher ensembles as the stronger supervision. Intriguingly, three novel perspectives are presented for distillation: (1) weight decay can be weakened or even completely removed since the soft label also has a regularization effect; (2) using a good initialization for students is critical; and (3) one-hot/hard label is not necessary in the distillation process if the weights are well initialized. We show that such a straight-forward framework can achieve state-of-the-art results without involving any commonly-used techniques, such as architecture modification; outside training data beyond ImageNet; autoaug/randaug; cosine learning rate; mixup/cutmix training; label smoothing; etc. Our method obtains 80.67% top-1 accuracy on ImageNet using a single crop-size of 224x224 with vanilla ResNet-50, outperforming the previous state-of-the-arts by a significant margin under the same network structure. Our result can be regarded as a strong baseline using knowledge distillation, and to our best knowledge, this is also the first method that is able to boost vanilla ResNet-50 to surpass 80% on ImageNet without architecture modification or additional training data. On smaller ResNet-18, our distillation framework consistently improves from 69.76% to 73.19%, which shows tremendous practical values in real-world applications. Our code and models are available at: https://github.com/szq0214/MEAL-V2.

  • 2 authors
·
Sep 17, 2020

LG-ANNA-Embedding technical report

This report presents a unified instruction-based framework for learning generalized text embeddings optimized for both information retrieval (IR) and non-IR tasks. Built upon a decoder-only large language model (Mistral-7B), our approach combines in-context learning, soft supervision, and adaptive hard-negative mining to generate context-aware embeddings without task-specific fine-tuning. Structured instructions and few-shot examples are used to guide the model across diverse tasks, enabling strong performance on classification, semantic similarity, clustering, and reranking benchmarks. To improve semantic discrimination, we employ a soft labeling framework where continuous relevance scores, distilled from a high-performance dense retriever and reranker, serve as fine-grained supervision signals. In addition, we introduce adaptive margin-based hard-negative mining, which filters out semantically ambiguous negatives based on their similarity to positive examples, thereby enhancing training stability and retrieval robustness. Our model is evaluated on the newly introduced MTEB (English, v2) benchmark, covering 41 tasks across seven categories. Results show that our method achieves strong generalization and ranks among the top-performing models by Borda score, outperforming several larger or fully fine-tuned baselines. These findings highlight the effectiveness of combining in-context prompting, soft supervision, and adaptive sampling for scalable, high-quality embedding generation.

  • 9 authors
·
Jun 9

Learning Transferable Architectures for Scalable Image Recognition

Developing neural network image classification models often requires significant architecture engineering. In this paper, we study a method to learn the model architectures directly on the dataset of interest. As this approach is expensive when the dataset is large, we propose to search for an architectural building block on a small dataset and then transfer the block to a larger dataset. The key contribution of this work is the design of a new search space (the "NASNet search space") which enables transferability. In our experiments, we search for the best convolutional layer (or "cell") on the CIFAR-10 dataset and then apply this cell to the ImageNet dataset by stacking together more copies of this cell, each with their own parameters to design a convolutional architecture, named "NASNet architecture". We also introduce a new regularization technique called ScheduledDropPath that significantly improves generalization in the NASNet models. On CIFAR-10 itself, NASNet achieves 2.4% error rate, which is state-of-the-art. On ImageNet, NASNet achieves, among the published works, state-of-the-art accuracy of 82.7% top-1 and 96.2% top-5 on ImageNet. Our model is 1.2% better in top-1 accuracy than the best human-invented architectures while having 9 billion fewer FLOPS - a reduction of 28% in computational demand from the previous state-of-the-art model. When evaluated at different levels of computational cost, accuracies of NASNets exceed those of the state-of-the-art human-designed models. For instance, a small version of NASNet also achieves 74% top-1 accuracy, which is 3.1% better than equivalently-sized, state-of-the-art models for mobile platforms. Finally, the learned features by NASNet used with the Faster-RCNN framework surpass state-of-the-art by 4.0% achieving 43.1% mAP on the COCO dataset.

  • 4 authors
·
Jul 21, 2017