We propose to explain the predictions of a deep neural network, by pointing to the set of what we call representer points in the training set, for a given test point prediction. Specifically, we show that we can decompose the pre-activation prediction of a neural network into a linear combination of activations of training points, with the weights corresponding to what we call representer values, which thus capture the importance of that training point on the learned parameters of the network. But it provides a deeper understanding of the network than simply training point influence: with positive representer values corresponding to excitatory training points, and negative values corresponding to inhibitory points, which as we show provides considerably more insight. Our method is also much more scalable, allowing for real-time feedback in a manner not feasible with influence functions.
Understanding Black-box Predictions via Influence Functions
How can we explain the predictions of a black-box model? In this paper, we use influence functions — a classic technique from robust statistics — to trace a model’s prediction through the learning algorithm and back to its training data, thereby identifying training points most responsible for a given prediction. To scale up influence functions to modern machine learning settings, we develop a simple, efficient implementation that requires only oracle access to gradients and Hessian-vector products. We show that even on non-convex and non-differentiable models where the theory breaks down, approximations to influence functions can still provide valuable information. On linear models and convolutional neural networks, we demonstrate that influence functions are useful for multiple purposes: understanding model behavior, debugging models, detecting dataset errors, and even creating visually-indistinguishable training-set attacks.
Deep Learning on a Data Diet: Finding Important Examples Early in Training
Recent success in deep learning has partially been driven by training increasingly overparametrized networks on ever larger datasets. It is therefore natural to ask: how much of the data is superfluous, which examples are important for generalization, and how do we find them? In this work, we make the striking observation that, in standard vision datasets, simple scores averaged over several weight initializations can be used to identify important examples very early in training. We propose two such scores—the Gradient Normed (GraNd) and the Error L2-Norm (EL2N) scores—and demonstrate their efficacy on a range of architectures and datasets by pruning significant fractions of training data without sacrificing test accuracy. In fact, using EL2N scores calculated a few epochs into training, we can prune half of the CIFAR10 training set while slightly improving test accuracy. Furthermore, for a given dataset, EL2N scores from one architecture or hyperparameter configuration generalize to other configurations. Compared to recent work that prunes data by discarding examples that are rarely forgotten over the course of training, our scores use only local information early in training. We also use our scores to detect noisy examples and study training dynamics through the lens of important examples—we investigate how the data distribution shapes the loss surface and identify subspaces of the model’s data representation that are relatively stable over training.
If Influence Functions are the Answer, Then What is the Question?
Influence functions efficiently estimate the effect of removing a single training data point on a model's learned parameters. While influence estimates align well with leave-one-out retraining for linear models, recent works have shown this alignment is often poor in neural networks. In this work, we investigate the specific factors that cause this discrepancy by decomposing it into five separate terms. We study the contributions of each term on a variety of architectures and datasets and how they vary with factors such as network width and training time. While practical influence function estimates may be a poor match to leave-one-out retraining for nonlinear networks, we show that they are often a good approximation to a different object we term the proximal Bregman response function (PBRF). Since the PBRF can still be used to answer many of the questions motivating influence functions, such as identifying influential or mislabeled examples, our results suggest that current algorithms for influence function estimation give more informative results than previous error analyses would suggest.
Influence Functions in Deep Learning Are Fragile
Influence functions approximate the effect of training samples in test-time predictions and have a wide variety of applications in machine learning interpretability and uncertainty estimation. A commonly-used (first-order) influence function can be implemented efficiently as a post-hoc method requiring access only to the gradients and Hessian of the model. For linear models, influence functions are well-defined due to the convexity of the underlying loss function and are generally accurate even across difficult settings where model changes are fairly large such as estimating group influences. Influence functions, however, are not well-understood in the context of deep learning with non-convex loss functions. In this paper, we provide a comprehensive and large-scale empirical study of successes and failures of influence functions in neural network models trained on datasets such as Iris, MNIST, CIFAR-10 and ImageNet. Through our extensive experiments, we show that the network architecture, its depth and width, as well as the extent of model parameterization and regularization techniques have strong effects in the accuracy of influence functions. In particular, we find that (i) influence estimates are fairly accurate for shallow networks, while for deeper networks the estimates are often erroneous; (ii) for certain network architectures and datasets, training with weight-decay regularization is important to get high-quality influence estimates; and (iii) the accuracy of influence estimates can vary significantly depending on the examined test points. These results suggest that in general influence functions in deep learning are fragile and call for developing improved influence estimation methods to mitigate these issues in non-convex setups.
Estimating Training Data Influence by Tracing Gradient Descent
We introduce a method called TracIn that computes the influence of a training example on a prediction made by the model. The idea is to trace how the loss on the test point changes during the training process whenever the training example of interest was utilized. We provide a scalable implementation of TracIn via: (a) a first-order gradient approximation to the exact computation, (b) saved checkpoints of standard training procedures, and (c) cherry-picking layers of a deep neural network. In contrast with previously proposed methods, TracIn is simple to implement; all it needs is the ability to work with gradients, checkpoints, and loss functions. The method is general. It applies to any machine learning model trained using stochastic gradient descent or a variant of it, agnostic of architecture, domain and task. We expect the method to be widely useful within processes that study and improve training data.
Distributional Training Data Attribution: What do Influence Functions Sample?
Randomness is an unavoidable part of training deep learning models, yet something that traditional training data attribution algorithms fail to rigorously account for. They ignore the fact that, due to stochasticity in the initialisation and batching, training on the same dataset can yield different models. In this paper, we address this shortcoming through introducing _distributional_ training data attribution (d-TDA), the goal of which is to predict how the distribution of model outputs (over training runs) depends upon the dataset. Intriguingly, we find that _influence functions_ (IFs), a popular data attribution tool, are 'secretly distributional': they emerge from our framework as the limit to unrolled differentiation, without requiring restrictive convexity assumptions. This provides a new perspective on the effectiveness of IFs in deep learning. We demonstrate the practical utility of d-TDA in experiments, including improving data pruning for vision transformers and identifying influential examples with diffusion models.
TRAK: Attributing Model Behavior at Scale
The goal of data attribution is to trace model predictions back to training data. Despite a long line of work towards this goal, existing approaches to data attribution tend to force users to choose between computational tractability and efficacy. That is, computationally tractable methods can struggle with accurately attributing model predictions in non-convex settings (e.g., in the context of deep neural networks), while methods that are effective in such regimes require training thousands of models, which makes them impractical for large models or datasets. In this work, we introduce TRAK (Tracing with the Randomly-projected After Kernel), a data attribution method that is both effective and computationally tractable for large-scale, differentiable models. In particular, by leveraging only a handful of trained models, TRAK can match the performance of attribution methods that require training thousands of models. We demonstrate the utility of TRAK across various modalities and scales: image classifiers trained on ImageNet, vision-language models (CLIP), and language models (BERT and mT5). We provide code for using TRAK (and reproducing our work) at https://github.com/MadryLab/trak .
Graph Structure of Neural Networks
View recent discussion. Abstract: Neural networks are often represented as graphs of connections between neurons. However, despite their wide use, there is currently little understanding of the relationship between the graph structure of the neural network and its predictive performance. Here we systematically investigate how does the graph structure of neural networks affect their predictive performance. To this end, we develop a novel graph-based representation of neural networks called relational graph, where layers of neural network computation correspond to rounds of message exchange along the graph structure. Using this representation we show that: (1) a "sweet spot" of relational graphs leads to neural networks with significantly improved predictive performance; (2) neural network's performance is approximately a smooth function of the clustering coefficient and average path length of its relational graph; (3) our findings are consistent across many different tasks and datasets; (4) the sweet spot can be identified efficiently; (5) top-performing neural networks have graph structure surprisingly similar to those of real biological neural networks. Our work opens new directions for the design of neural architectures and the understanding on neural networks in general.
A Bayesian Approach To Analysing Training Data Attribution In Deep Learning
Training data attribution (TDA) techniques find influential training data for the model's prediction on the test data of interest. They approximate the impact of down- or up-weighting a particular training sample. While conceptually useful, they are hardly applicable to deep models in practice, particularly because of their sensitivity to different model initialisation. In this paper, we introduce a Bayesian perspective on the TDA task, where the learned model is treated as a Bayesian posterior and the TDA estimates as random variables. From this novel viewpoint, we observe that the influence of an individual training sample is often overshadowed by the noise stemming from model initialisation and SGD batch composition. Based on this observation, we argue that TDA can only be reliably used for explaining deep model predictions that are consistently influenced by certain training data, independent of other noise factors. Our experiments demonstrate the rarity of such noise-independent training-test data pairs but confirm their existence. We recommend that future researchers and practitioners trust TDA estimates only in such cases. Further, we find a disagreement between ground truth and estimated TDA distributions and encourage future work to study this gap. Code is provided at https://github.com/ElisaNguyen/bayesian-tda.
A Bayesian Approach To Analysing Training Data Attribution In Deep Learning
Training data attribution (TDA) techniques find influential training data for the model's prediction on the test data of interest. They approximate the impact of down- or up-weighting a particular training sample. While conceptually useful, they are hardly applicable to deep models in practice, particularly because of their sensitivity to different model initialisation. In this paper, we introduce a Bayesian perspective on the TDA task, where the learned model is treated as a Bayesian posterior and the TDA estimates as random variables. From this novel viewpoint, we observe that the influence of an individual training sample is often overshadowed by the noise stemming from model initialisation and SGD batch composition. Based on this observation, we argue that TDA can only be reliably used for explaining deep model predictions that are consistently influenced by certain training data, independent of other noise factors. Our experiments demonstrate the rarity of such noise-independent training-test data pairs but confirm their existence. We recommend that future researchers and practitioners trust TDA estimates only in such cases. Further, we find a disagreement between ground truth and estimated TDA distributions and encourage future work to study this gap. Code is provided at https://github.com/ElisaNguyen/bayesian-tda.
Meta-Weight-Net: Learning an Explicit Mapping For Sample Weighting
Current deep neural networks(DNNs) can easily overfit to biased training data with corrupted labels or class imbalance. Sample re-weighting strategy is commonly used to alleviate this issue by designing a weighting function mapping from training loss to sample weight, and then iterating between weight recalculating and classifier updating. Current approaches, however, need manually pre-specify the weighting function as well as its additional hyper-parameters. It makes them fairly hard to be generally applied in practice due to the significant variation of proper weighting schemes relying on the investigated problem and training data. To address this issue, we propose a method capable of adaptively learning an explicit weighting function directly from data. The weighting function is an MLP with one hidden layer, constituting a universal approximator to almost any continuous functions, making the method able to fit a wide range of weighting function forms including those assumed in conventional research. Guided by a small amount of unbiased meta-data, the parameters of the weighting function can be finely updated simultaneously with the learning process of the classifiers. Synthetic and real experiments substantiate the capability of our method for achieving proper weighting functions in class imbalance and noisy label cases, fully complying with the common settings in traditional methods, and more complicated scenarios beyond conventional cases. This naturally leads to its better accuracy than other state-of-the-art methods.
Natural Language Autoencoders Produce Unsupervised Explanations of LLM Activations
We introduce Natural Language Autoencoders (NLAs), an unsupervised method for generating natural language explanations of LLM activations. An NLA consists of two LLM modules: an activation verbalizer (AV) that maps an activation to a text description and an activation reconstructor (AR) that maps the description back to an activation. We jointly train the AV and AR with reinforcement learning to reconstruct residual stream activations. Although we optimize for activation reconstruction, the resulting NLA explanations read as plausible interpretations of model internals that, according to our quantitative evaluations, grow more informative over training.
Data Valuation Without Training of a Model
Many recent works on understanding deep learning try to quantify how much individual data instances influence the optimization and generalization of a model. Such attempts reveal characteristics and importance of individual instances, which may provide useful information in diagnosing and improving deep learning. However, most of the existing works on data valuation require actual training of a model, which often demands high-computational cost. In this paper, we provide a training-free data valuation score, called complexity-gap score, which is a data-centric score to quantify the influence of individual instances in generalization of two-layer overparameterized neural networks. The proposed score can quantify irregularity of the instances and measure how much each data instance contributes in the total movement of the network parameters during training. We theoretically analyze and empirically demonstrate the effectiveness of the complexity-gap score in finding `irregular or mislabeled' data instances, and also provide applications of the score in analyzing datasets and diagnosing training dynamics. Our code is publicly available at https://github.com/JJchy/CG_score.
Deep Learning Scaling is Predictable, Empirically
Deep learning (DL) creates impactful advances following a virtuous recipe: model architecture search, creating large training data sets, and scaling computation. It is widely believed that growing training sets and models should improve accuracy and result in better products. As DL application domains grow, we would like a deeper understanding of the relationships between training set size, computational scale, and model accuracy improvements to advance the state-of-the-art. This paper presents a large scale empirical characterization of generalization error and model size growth as training sets grow. We introduce a methodology for this measurement and test four machine learning domains: machine translation, language modeling, image processing, and speech recognition. Our empirical results show power-law generalization error scaling across a breadth of factors, resulting in power-law exponents---the "steepness" of the learning curve---yet to be explained by theoretical work. Further, model improvements only shift the error but do not appear to affect the power-law exponent. We also show that model size scales sublinearly with data size. These scaling relationships have significant implications on deep learning research, practice, and systems. They can assist model debugging, setting accuracy targets, and decisions about data set growth. They can also guide computing system design and underscore the importance of continued computational scaling.
DAVINZ: Data Valuation using Deep Neural Networks at Initialization
Recent years have witnessed a surge of interest in developing trustworthy methods to evaluate the value of data in many real-world applications (e.g., collaborative machine learning, data marketplaces). Existing data valuation methods typically valuate data using the generalization performance of converged machine learning models after their long-term model training, hence making data valuation on large complex deep neural networks (DNNs) unaffordable. To this end, we theoretically derive a domain-aware generalization bound to estimate the generalization performance of DNNs without model training. We then exploit this theoretically derived generalization bound to develop a novel training-free data valuation method named data valuation at initialization (DAVINZ) on DNNs, which consistently achieves remarkable effectiveness and efficiency in practice. Moreover, our training-free DAVINZ, surprisingly, can even theoretically and empirically enjoy the desirable properties that training-based data valuation methods usually attain, thus making it more trustworthy in practice.
mixup: Beyond Empirical Risk Minimization
Large deep neural networks are powerful, but exhibit undesirable behaviors such as memorization and sensitivity to adversarial examples. In this work, we propose mixup, a simple learning principle to alleviate these issues. In essence, mixup trains a neural network on convex combinations of pairs of examples and their labels. By doing so, mixup regularizes the neural network to favor simple linear behavior in-between training examples. Our experiments on the ImageNet-2012, CIFAR-10, CIFAR-100, Google commands and UCI datasets show that mixup improves the generalization of state-of-the-art neural network architectures. We also find that mixup reduces the memorization of corrupt labels, increases the robustness to adversarial examples, and stabilizes the training of generative adversarial networks.