Daily Papers

Recently, contrastive learning has been shown to be effective in improving pre-trained language models (PLM) to derive high-quality sentence representations. It aims to pull close positive examples to enhance the alignment while push apart irrelevant negatives for the uniformity of the whole representation space. However, previous works mostly adopt in-batch negatives or sample from training data at random. Such a way may cause the sampling bias that improper negatives (e.g. false negatives and anisotropy representations) are used to learn sentence representations, which will hurt the uniformity of the representation space. To address it, we present a new framework DCLR (Debiased Contrastive Learning of unsupervised sentence Representations) to alleviate the influence of these improper negatives. In DCLR, we design an instance weighting method to punish false negatives and generate noise-based negatives to guarantee the uniformity of the representation space. Experiments on seven semantic textual similarity tasks show that our approach is more effective than competitive baselines. Our code and data are publicly available at the link: blue{https://github.com/RUCAIBox/DCLR}.

Despite the success of deep learning for text and image data, tree-based ensemble models are still state-of-the-art for machine learning with heterogeneous tabular data. However, there is a significant need for tabular-specific gradient-based methods due to their high flexibility. In this paper, we propose GRANDE, GRAdieNt-Based Decision Tree Ensembles, a novel approach for learning hard, axis-aligned decision tree ensembles using end-to-end gradient descent. GRANDE is based on a dense representation of tree ensembles, which affords to use backpropagation with a straight-through operator to jointly optimize all model parameters. Our method combines axis-aligned splits, which is a useful inductive bias for tabular data, with the flexibility of gradient-based optimization. Furthermore, we introduce an advanced instance-wise weighting that facilitates learning representations for both, simple and complex relations, within a single model. We conducted an extensive evaluation on a predefined benchmark with 19 classification datasets and demonstrate that our method outperforms existing gradient-boosting and deep learning frameworks on most datasets. The method is available under: https://github.com/s-marton/GRANDE

In the field of algorithmic fairness, significant attention has been put on group fairness criteria, such as Demographic Parity and Equalized Odds. Nevertheless, these objectives, measured as global averages, have raised concerns about persistent local disparities between sensitive groups. In this work, we address the problem of local fairness, which ensures that the predictor is unbiased not only in terms of expectations over the whole population, but also within any subregion of the feature space, unknown at training time. To enforce this objective, we introduce ROAD, a novel approach that leverages the Distributionally Robust Optimization (DRO) framework within a fair adversarial learning objective, where an adversary tries to infer the sensitive attribute from the predictions. Using an instance-level re-weighting strategy, ROAD is designed to prioritize inputs that are likely to be locally unfair, i.e. where the adversary faces the least difficulty in reconstructing the sensitive attribute. Numerical experiments demonstrate the effectiveness of our method: it achieves Pareto dominance with respect to local fairness and accuracy for a given global fairness level across three standard datasets, and also enhances fairness generalization under distribution shift.

Direct Preference Optimization (DPO) has emerged as a simple and effective method for aligning large language models. However, its reliance on a fixed temperature parameter leads to suboptimal training on diverse preference data, causing overfitting on easy examples and under-learning from informative ones. Recent methods have emerged to counter this. While IPO addresses general overfitting, its uniform regularization can be overly conservative. The more targeted approach of beta-DPO suffers from its own limitations: its batch-level adaptation applies a single, compromised temperature to mixed-margin pairs, its linear update rule can produce unstable negative beta values, and its filtering mechanism discards potentially useful training signals. In this work, we introduce Margin-Adaptive Direct Preference Optimization (MADPO), a method that provides a stable, data-preserving, and instance-level solution. MADPO employs a practical two-step approach: it first trains a reward model to estimate preference margins and then uses these margins to apply a continuous, adaptive weight to the DPO loss for each individual training sample. This re-weighting scheme creates an effective target margin that is amplified for hard pairs and dampened for easy pairs, allowing for granular control over the learning signal. We provide a comprehensive theoretical analysis, proving that MADPO has a well-behaved optimization landscape and is robust to reward model estimation errors. We validate our theory with experiments on a sentiment generation task, where MADPO consistently and significantly outperforms strong baselines across datasets of varying quality. It achieves performance gains of up to +33.3\% on High Quality data and +10.5\% on Low Quality data over the next-best method. Our results establish MADPO as a more robust and principled approach to preference alignment.

The task of instance segmentation in remote sensing images, aiming at performing per-pixel labeling of objects at instance level, is of great importance for various civil applications. Despite previous successes, most existing instance segmentation methods designed for natural images encounter sharp performance degradations when they are directly applied to top-view remote sensing images. Through careful analysis, we observe that the challenges mainly come from the lack of discriminative object features due to severe scale variations, low contrasts, and clustered distributions. In order to address these problems, a novel context aggregation network (CATNet) is proposed to improve the feature extraction process. The proposed model exploits three lightweight plug-and-play modules, namely dense feature pyramid network (DenseFPN), spatial context pyramid (SCP), and hierarchical region of interest extractor (HRoIE), to aggregate global visual context at feature, spatial, and instance domains, respectively. DenseFPN is a multi-scale feature propagation module that establishes more flexible information flows by adopting inter-level residual connections, cross-level dense connections, and feature re-weighting strategy. Leveraging the attention mechanism, SCP further augments the features by aggregating global spatial context into local regions. For each instance, HRoIE adaptively generates RoI features for different downstream tasks. Extensive evaluations of the proposed scheme on iSAID, DIOR, NWPU VHR-10, and HRSID datasets demonstrate that the proposed approach outperforms state-of-the-arts under similar computational costs. Source code and pre-trained models are available at https://github.com/yeliudev/CATNet.

We present a novel technique for self-supervised video representation learning by: (a) decoupling the learning objective into two contrastive subtasks respectively emphasizing spatial and temporal features, and (b) performing it hierarchically to encourage multi-scale understanding. Motivated by their effectiveness in supervised learning, we first introduce spatial-temporal feature learning decoupling and hierarchical learning to the context of unsupervised video learning. We show by experiments that augmentations can be manipulated as regularization to guide the network to learn desired semantics in contrastive learning, and we propose a way for the model to separately capture spatial and temporal features at multiple scales. We also introduce an approach to overcome the problem of divergent levels of instance invariance at different hierarchies by modeling the invariance as loss weights for objective re-weighting. Experiments on downstream action recognition benchmarks on UCF101 and HMDB51 show that our proposed Hierarchically Decoupled Spatial-Temporal Contrast (HDC) makes substantial improvements over directly learning spatial-temporal features as a whole and achieves competitive performance when compared with other state-of-the-art unsupervised methods. Code will be made available.

The increasing complexity of foundational models underscores the necessity for explainability, particularly for fine-tuning, the most widely used training method for adapting models to downstream tasks. Instance attribution, one type of explanation, attributes the model prediction to each training example by an instance score. However, the robustness of instance scores, specifically towards dataset resampling, has been overlooked. To bridge this gap, we propose a notion of robustness on the sign of the instance score. We theoretically and empirically demonstrate that the popular leave-one-out-based methods lack robustness, while the Shapley value behaves significantly better, but at a higher computational cost. Accordingly, we introduce an efficient fine-tuning-free approximation of the Shapley value (FreeShap) for instance attribution based on the neural tangent kernel. We empirically demonstrate that FreeShap outperforms other methods for instance attribution and other data-centric applications such as data removal, data selection, and wrong label detection, and further generalize our scale to large language models (LLMs). Our code is available at https://github.com/JTWang2000/FreeShap.

Pretraining large language models (LLMs) on vast and heterogeneous datasets is crucial for achieving state-of-the-art performance across diverse downstream tasks. However, current training paradigms treat all samples equally, overlooking the importance or relevance of individual samples throughout the training process. Existing reweighting strategies, which primarily focus on group-level data importance, fail to leverage fine-grained instance-level information and do not adapt dynamically to individual sample importance as training progresses. In this paper, we introduce novel algorithms for dynamic, instance-level data reweighting aimed at improving both the efficiency and effectiveness of LLM pretraining. Our methods adjust the weight of each training sample based on its loss value in an online fashion, allowing the model to dynamically focus on more informative or important samples at the current training stage. In particular, our framework allows us to systematically devise reweighting strategies deprioritizing redundant or uninformative data, which we find tend to work best. Furthermore, we develop a new theoretical framework for analyzing the impact of loss-based reweighting on the convergence of gradient-based optimization, providing the first formal characterization of how these strategies affect convergence bounds. We empirically validate our approach across a spectrum of tasks, from pretraining 7B and 1.4B parameter LLMs to smaller-scale language models and linear regression problems, demonstrating that our loss-based reweighting approach can lead to faster convergence and significantly improved performance.

Novel Instance Detection and Segmentation (NIDS) aims at detecting and segmenting novel object instances given a few examples of each instance. We propose a unified, simple, yet effective framework (NIDS-Net) comprising object proposal generation, embedding creation for both instance templates and proposal regions, and embedding matching for instance label assignment. Leveraging recent advancements in large vision methods, we utilize Grounding DINO and Segment Anything Model (SAM) to obtain object proposals with accurate bounding boxes and masks. Central to our approach is the generation of high-quality instance embeddings. We utilized foreground feature averages of patch embeddings from the DINOv2 ViT backbone, followed by refinement through a weight adapter mechanism that we introduce. We show experimentally that our weight adapter can adjust the embeddings locally within their feature space and effectively limit overfitting in the few-shot setting. Furthermore, the weight adapter optimizes weights to enhance the distinctiveness of instance embeddings during similarity computation. This methodology enables a straightforward matching strategy that results in significant performance gains. Our framework surpasses current state-of-the-art methods, demonstrating notable improvements in four detection datasets. In the segmentation tasks on seven core datasets of the BOP challenge, our method outperforms the leading published RGB methods and remains competitive with the best RGB-D method. We have also verified our method using real-world images from a Fetch robot and a RealSense camera. Project Page: https://irvlutd.github.io/NIDSNet/

Weight initialization plays an important role in neural network training. Widely used initialization methods are proposed and evaluated for networks that are trained from scratch. However, the growing number of pretrained models now offers new opportunities for tackling this classical problem of weight initialization. In this work, we introduce weight selection, a method for initializing smaller models by selecting a subset of weights from a pretrained larger model. This enables the transfer of knowledge from pretrained weights to smaller models. Our experiments demonstrate that weight selection can significantly enhance the performance of small models and reduce their training time. Notably, it can also be used together with knowledge distillation. Weight selection offers a new approach to leverage the power of pretrained models in resource-constrained settings, and we hope it can be a useful tool for training small models in the large-model era. Code is available at https://github.com/OscarXZQ/weight-selection.

Large language models (LLMs) have shown remarkable capability in numerous tasks and applications. However, fine-tuning LLMs using high-quality datasets under external supervision remains prohibitively expensive. In response, LLM self-improvement approaches have been vibrantly developed recently. The typical paradigm of LLM self-improvement involves training LLM on self-generated data, part of which may be detrimental and should be filtered out due to the unstable data quality. While current works primarily employs filtering strategies based on answer correctness, in this paper, we demonstrate that filtering out correct but with high distribution shift extent (DSE) samples could also benefit the results of self-improvement. Given that the actual sample distribution is usually inaccessible, we propose a new metric called DS weight to approximate DSE, inspired by the Importance Weighting methods. Consequently, we integrate DS weight with self-consistency to comprehensively filter the self-generated samples and fine-tune the language model. Experiments show that with only a tiny valid set (up to 5\% size of the training set) to compute DS weight, our approach can notably promote the reasoning ability of current LLM self-improvement methods. The resulting performance is on par with methods that rely on external supervision from pre-trained reward models.

Instance selection (IS) is important in machine learning for reducing dataset size while keeping key characteristics. Current IS methods often struggle with capturing complex relationships in high-dimensional spaces and scale with large datasets. This paper introduces a graph attention-based instance selection (GAIS) method that uses attention mechanisms to identify informative instances through their structural relationships in graph representations. We present two approaches for scalable graph construction: a distance-based mini-batch sampling technique that reduces computation through strategic batch processing, and a hierarchical hashing approach that allows for efficient similarity computation through random projections. The mini-batch approach keeps class distributions through stratified sampling, while the hierarchical hashing method captures relationships at multiple granularities through single-level, multi-level, and multi-view variants. Experiments across 39 datasets show that GAIS achieves reduction rates above 96\% while maintaining or improving model performance relative to state-of-the-art IS methods. The findings shows that the distance-based mini-batch approach offers an optimal balance of efficiency and effectiveness for large-scale datasets, while multi-view variants provide superior performance for complex, high-dimensional data, demonstrating that attention-based importance scoring can effectively identify instances crucial for maintaining decision boundaries without requiring exhaustive pairwise comparisons.

Language Models (LMs) pre-trained with self-supervision on large text corpora have become the default starting point for developing models for various NLP tasks. Once the pre-training corpus has been assembled, all data samples in the corpus are treated with equal importance during LM pre-training. However, due to varying levels of relevance and quality of data, equal importance to all the data samples may not be the optimal choice. While data reweighting has been explored in the context of task-specific supervised learning and LM fine-tuning, model-driven reweighting for pre-training data has not been explored. We fill this important gap and propose PRESENCE, a method for jointly reweighting samples by leveraging self-influence (SI) scores as an indicator of sample importance and pre-training. PRESENCE promotes novelty and stability for model pre-training. Through extensive analysis spanning multiple model sizes, datasets, and tasks, we present PRESENCE as an important first step in the research direction of sample reweighting for pre-training language models.

Learning from label proportions (LLP) is a promising weakly supervised learning problem. In LLP, a set of instances (bag) has label proportions, but no instance-level labels are given. LLP aims to train an instance-level classifier by using the label proportions of the bag. In this paper, we propose a bag-level data augmentation method for LLP called MixBag, based on the key observation from our preliminary experiments; that the instance-level classification accuracy improves as the number of labeled bags increases even though the total number of instances is fixed. We also propose a confidence interval loss designed based on statistical theory to use the augmented bags effectively. To the best of our knowledge, this is the first attempt to propose bag-level data augmentation for LLP. The advantage of MixBag is that it can be applied to instance-level data augmentation techniques and any LLP method that uses the proportion loss. Experimental results demonstrate this advantage and the effectiveness of our method.

Relation classification models are conventionally evaluated using only a single measure, e.g., micro-F1, macro-F1 or AUC. In this work, we analyze weighting schemes, such as micro and macro, for imbalanced datasets. We introduce a framework for weighting schemes, where existing schemes are extremes, and two new intermediate schemes. We show that reporting results of different weighting schemes better highlights strengths and weaknesses of a model.

Digitizing pathological images into gigapixel Whole Slide Images (WSIs) has opened new avenues for Computational Pathology (CPath). As positive tissue comprises only a small fraction of gigapixel WSIs, existing Multiple Instance Learning (MIL) methods typically focus on identifying salient instances via attention mechanisms. However, this leads to a bias towards easy-to-classify instances while neglecting challenging ones. Recent studies have shown that hard examples are crucial for accurately modeling discriminative boundaries. Applying such an idea at the instance level, we elaborate a novel MIL framework with masked hard instance mining (MHIM-MIL), which utilizes a Siamese structure with a consistency constraint to explore the hard instances. Using a class-aware instance probability, MHIM-MIL employs a momentum teacher to mask salient instances and implicitly mine hard instances for training the student model. To obtain diverse, non-redundant hard instances, we adopt large-scale random masking while utilizing a global recycle network to mitigate the risk of losing key features. Furthermore, the student updates the teacher using an exponential moving average, which identifies new hard instances for subsequent training iterations and stabilizes optimization. Experimental results on cancer diagnosis, subtyping, survival analysis tasks, and 12 benchmarks demonstrate that MHIM-MIL outperforms the latest methods in both performance and efficiency. The code is available at: https://github.com/DearCaat/MHIM-MIL.

Recent studies have shown that supervised fine-tuning of LLMs on a small number of high-quality datasets can yield strong reasoning capabilities. However, full fine-tuning (Full FT), while powerful, is computationally expensive and susceptible to overfitting and catastrophic forgetting, particularly when data is limited. Sparse fine-tuning, which previously achieved notable success by updating only a small subset of model parameters, offers a promising trade-off between efficiency and effectiveness. Yet, it has lagged behind in the LLM era due to the difficulty of identifying parameters truly critical for reasoning. In this work, we state that weights with the largest magnitude after low-rank approximation are critical weights for fine-tuning, which we call Principal Weights. Surprisingly, while magnitude-based sparse fine-tuning performs poorly as a baseline on LLM fine-tuning, it becomes highly effective after rank reduction. These insights motivate our method: Low-rank Informed Sparse Fine-Tuning (LIFT). LIFT only updates the top 5% Principal Weights throughout training and consistently achieves better performance on reasoning tasks than Full FT, while maintaining memory efficiency on par with popular parameter-efficient fine-tuning methods. In addition to strong performance on target domains such as arithmetic reasoning, LIFT also retains up to 20% more source-domain knowledge, compared to Full FT and LoRA. Our code is available at: https://github.com/zihanghliu/LIFT.

Metric space magnitude, an active field of research in algebraic topology, is a scalar quantity that summarizes the effective number of distinct points that live in a general metric space. The {\em weighting vector} is a closely-related concept that captures, in a nontrivial way, much of the underlying geometry of the original metric space. Recent work has demonstrated that when the metric space is Euclidean, the weighting vector serves as an effective tool for boundary detection. We recast this result and show the weighting vector may be viewed as a solution to a kernelized SVM. As one consequence, we apply this new insight to the task of outlier detection, and we demonstrate performance that is competitive or exceeds performance of state-of-the-art techniques on benchmark data sets. Under mild assumptions, we show the weighting vector, which has computational cost of matrix inversion, can be efficiently approximated in linear time. We show how nearest neighbor methods can approximate solutions to the minimization problems defined by SVMs.

Multiple Instance Learning (MIL) is a sub-domain of classification problems with positive and negative labels and a "bag" of inputs, where the label is positive if and only if a positive element is contained within the bag, and otherwise is negative. Training in this context requires associating the bag-wide label to instance-level information, and implicitly contains a causal assumption and asymmetry to the task (i.e., you can't swap the labels without changing the semantics). MIL problems occur in healthcare (one malignant cell indicates cancer), cyber security (one malicious executable makes an infected computer), and many other tasks. In this work, we examine five of the most prominent deep-MIL models and find that none of them respects the standard MIL assumption. They are able to learn anti-correlated instances, i.e., defaulting to "positive" labels until seeing a negative counter-example, which should not be possible for a correct MIL model. We suspect that enhancements and other works derived from these models will share the same issue. In any context in which these models are being used, this creates the potential for learning incorrect models, which creates risk of operational failure. We identify and demonstrate this problem via a proposed "algorithmic unit test", where we create synthetic datasets that can be solved by a MIL respecting model, and which clearly reveal learning that violates MIL assumptions. The five evaluated methods each fail one or more of these tests. This provides a model-agnostic way to identify violations of modeling assumptions, which we hope will be useful for future development and evaluation of MIL models.

The mathematical problem-solving capabilities of large language models have become a focal point of research, with growing interests in leveraging self-generated reasoning paths as a promising way to refine and enhance these models. These paths capture step-by-step logical processes while requiring only the correct answer for supervision. The self-training method has been shown to be effective in reasoning tasks while eliminating the need for external models and manual annotations. However, optimizing the use of self-generated data for model training remains an open challenge. In this work, we propose Entropy-Based Adaptive Weighting for Self-Training (EAST), an adaptive weighting strategy designed to prioritize uncertain data during self-training. Specifically, EAST employs a mapping function with a tunable parameter that controls the sharpness of the weighting, assigning higher weights to data where the model exhibits greater uncertainty. This approach guides the model to focus on more informative and challenging examples, thereby enhancing its reasoning ability. We evaluate our approach on GSM8K and MATH benchmarks. Empirical results show that, while the vanilla method yields virtually no improvement (0%) on MATH, EAST achieves around a 1% gain over backbone model. On GSM8K, EAST attains a further 1-2% performance boost compared to the vanilla method.

This paper describes our submission on the COVID-19 literature annotation task at Biocreative VII. We proposed an approach that exploits the knowledge of the globally non-optimal weights, usually rejected, to build a rich representation of each label. Our proposed approach consists of two stages: (1) A bagging of various initializations of the training data that features weakly trained weights, (2) A stacking of heterogeneous vocabulary models based on BERT and RoBERTa Embeddings. The aggregation of these weak insights performs better than a classical globally efficient model. The purpose is the distillation of the richness of knowledge to a simpler and lighter model. Our system obtains an Instance-based F1 of 92.96 and a Label-based micro-F1 of 91.35.

Quantile regression is a fundamental problem in statistical learning motivated by a need to quantify uncertainty in predictions, or to model a diverse population without being overly reductive. For instance, epidemiological forecasts, cost estimates, and revenue predictions all benefit from being able to quantify the range of possible values accurately. As such, many models have been developed for this problem over many years of research in statistics, machine learning, and related fields. Rather than proposing yet another (new) algorithm for quantile regression we adopt a meta viewpoint: we investigate methods for aggregating any number of conditional quantile models, in order to improve accuracy and robustness. We consider weighted ensembles where weights may vary over not only individual models, but also over quantile levels, and feature values. All of the models we consider in this paper can be fit using modern deep learning toolkits, and hence are widely accessible (from an implementation point of view) and scalable. To improve the accuracy of the predicted quantiles (or equivalently, prediction intervals), we develop tools for ensuring that quantiles remain monotonically ordered, and apply conformal calibration methods. These can be used without any modification of the original library of base models. We also review some basic theory surrounding quantile aggregation and related scoring rules, and contribute a few new results to this literature (for example, the fact that post sorting or post isotonic regression can only improve the weighted interval score). Finally, we provide an extensive suite of empirical comparisons across 34 data sets from two different benchmark repositories.

The whole slide image (WSI) classification is often formulated as a multiple instance learning (MIL) problem. Since the positive tissue is only a small fraction of the gigapixel WSI, existing MIL methods intuitively focus on identifying salient instances via attention mechanisms. However, this leads to a bias towards easy-to-classify instances while neglecting hard-to-classify instances. Some literature has revealed that hard examples are beneficial for modeling a discriminative boundary accurately. By applying such an idea at the instance level, we elaborate a novel MIL framework with masked hard instance mining (MHIM-MIL), which uses a Siamese structure (Teacher-Student) with a consistency constraint to explore the potential hard instances. With several instance masking strategies based on attention scores, MHIM-MIL employs a momentum teacher to implicitly mine hard instances for training the student model, which can be any attention-based MIL model. This counter-intuitive strategy essentially enables the student to learn a better discriminating boundary. Moreover, the student is used to update the teacher with an exponential moving average (EMA), which in turn identifies new hard instances for subsequent training iterations and stabilizes the optimization. Experimental results on the CAMELYON-16 and TCGA Lung Cancer datasets demonstrate that MHIM-MIL outperforms other latest methods in terms of performance and training cost. The code is available at: https://github.com/DearCaat/MHIM-MIL.

Training classifiers is difficult with severe class imbalance, but many rare events are the culmination of a sequence with much more common intermediate outcomes. For example, in online marketing a user first sees an ad, then may click on it, and finally may make a purchase; estimating the probability of purchases is difficult because of their rarity. We show both theoretically and through data experiments that the more abundant data in earlier steps may be leveraged to improve estimation of probabilities of rare events. We present PRESTO, a relaxation of the proportional odds model for ordinal regression. Instead of estimating weights for one separating hyperplane that is shifted by separate intercepts for each of the estimated Bayes decision boundaries between adjacent pairs of categorical responses, we estimate separate weights for each of these transitions. We impose an L1 penalty on the differences between weights for the same feature in adjacent weight vectors in order to shrink towards the proportional odds model. We prove that PRESTO consistently estimates the decision boundary weights under a sparsity assumption. Synthetic and real data experiments show that our method can estimate rare probabilities in this setting better than both logistic regression on the rare category, which fails to borrow strength from more abundant categories, and the proportional odds model, which is too inflexible.

Using the weights of trained Neural Network (NN) models as data modality has recently gained traction as a research field - dubbed Weight Space Learning (WSL). Multiple recent works propose WSL methods to analyze models, evaluate methods, or synthesize weights. Weight space learning methods require populations of trained models as datasets for development and evaluation. However, existing collections of models - called `model zoos' - are unstructured or follow a rudimentary definition of diversity. In parallel, work rooted in statistical physics has identified phases and phase transitions in NN models. Models are homogeneous within the same phase but qualitatively differ from one phase to another. We combine the idea of `model zoos' with phase information to create a controlled notion of diversity in populations. We introduce 12 large-scale zoos that systematically cover known phases and vary over model architecture, size, and datasets. These datasets cover different modalities, such as computer vision, natural language processing, and scientific ML. For every model, we compute loss landscape metrics and validate full coverage of the phases. With this dataset, we provide the community with a resource with a wide range of potential applications for WSL and beyond. Evidence suggests the loss landscape phase plays a role in applications such as model training, analysis, or sparsification. We demonstrate this in an exploratory study of the downstream methods like transfer learning or model weights averaging.

Unsupervised contrastive learning has achieved outstanding success, while the mechanism of contrastive loss has been less studied. In this paper, we concentrate on the understanding of the behaviours of unsupervised contrastive loss. We will show that the contrastive loss is a hardness-aware loss function, and the temperature {\tau} controls the strength of penalties on hard negative samples. The previous study has shown that uniformity is a key property of contrastive learning. We build relations between the uniformity and the temperature {\tau} . We will show that uniformity helps the contrastive learning to learn separable features, however excessive pursuit to the uniformity makes the contrastive loss not tolerant to semantically similar samples, which may break the underlying semantic structure and be harmful to the formation of features useful for downstream tasks. This is caused by the inherent defect of the instance discrimination objective. Specifically, instance discrimination objective tries to push all different instances apart, ignoring the underlying relations between samples. Pushing semantically consistent samples apart has no positive effect for acquiring a prior informative to general downstream tasks. A well-designed contrastive loss should have some extents of tolerance to the closeness of semantically similar samples. Therefore, we find that the contrastive loss meets a uniformity-tolerance dilemma, and a good choice of temperature can compromise these two properties properly to both learn separable features and tolerant to semantically similar samples, improving the feature qualities and the downstream performances.

In this paper, we introduce the idea of decomposing the residuals of regression with respect to the data instances instead of features. This allows us to determine the effects of each individual instance on the model and each other, and in doing so makes for a model-agnostic method of identifying instances of interest. In doing so, we can also determine the appropriateness of the model and data in the wider context of a given study. The paper focuses on the possible applications that such a framework brings to the relatively unexplored field of instance analysis in the context of Explainable AI tasks.

We consider the problem of Learning from Label Proportions (LLP), a weakly supervised classification setup where instances are grouped into "bags", and only the frequency of class labels at each bag is available. Albeit, the objective of the learner is to achieve low task loss at an individual instance level. Here we propose Easyllp: a flexible and simple-to-implement debiasing approach based on aggregate labels, which operates on arbitrary loss functions. Our technique allows us to accurately estimate the expected loss of an arbitrary model at an individual level. We showcase the flexibility of our approach by applying it to popular learning frameworks, like Empirical Risk Minimization (ERM) and Stochastic Gradient Descent (SGD) with provable guarantees on instance level performance. More concretely, we exhibit a variance reduction technique that makes the quality of LLP learning deteriorate only by a factor of k (k being bag size) in both ERM and SGD setups, as compared to full supervision. Finally, we validate our theoretical results on multiple datasets demonstrating our algorithm performs as well or better than previous LLP approaches in spite of its simplicity.

Recent years have witnessed the great success of graph pre-training for graph representation learning. With hundreds of graph pre-training tasks proposed, integrating knowledge acquired from multiple pre-training tasks has become a popular research topic. In this paper, we identify two important collaborative processes for this topic: (1) select: how to select an optimal task combination from a given task pool based on their compatibility, and (2) weigh: how to weigh the selected tasks based on their importance. While there currently has been a lot of work focused on weighing, comparatively little effort has been devoted to selecting. This paper proposes a novel instance-level framework for integrating multiple graph pre-training tasks, Weigh And Select (WAS), where the two collaborative processes, weighing and selecting, are combined by decoupled siamese networks. Specifically, it first adaptively learns an optimal combination of tasks for each instance from a given task pool, based on which a customized instance-level task weighing strategy is learned. Extensive experiments on 16 graph datasets across node-level and graph-level downstream tasks have demonstrated that by combining a few simple but classical tasks, WAS can achieve comparable performance to other leading counterparts. The code is available at https://github.com/TianyuFan0504/WAS.

Weakly supervised whole slide image classification is usually formulated as a multiple instance learning (MIL) problem, where each slide is treated as a bag, and the patches cut out of it are treated as instances. Existing methods either train an instance classifier through pseudo-labeling or aggregate instance features into a bag feature through attention mechanisms and then train a bag classifier, where the attention scores can be used for instance-level classification. However, the pseudo instance labels constructed by the former usually contain a lot of noise, and the attention scores constructed by the latter are not accurate enough, both of which affect their performance. In this paper, we propose an instance-level MIL framework based on contrastive learning and prototype learning to effectively accomplish both instance classification and bag classification tasks. To this end, we propose an instance-level weakly supervised contrastive learning algorithm for the first time under the MIL setting to effectively learn instance feature representation. We also propose an accurate pseudo label generation method through prototype learning. We then develop a joint training strategy for weakly supervised contrastive learning, prototype learning, and instance classifier training. Extensive experiments and visualizations on four datasets demonstrate the powerful performance of our method. Codes will be available.

In modern recommendation systems, the standard pipeline involves training machine learning models on historical data to predict user behaviors and improve recommendations continuously. However, these data training loops can introduce interference in A/B tests, where data generated by control and treatment algorithms, potentially with different distributions, are combined. To address these challenges, we introduce a novel approach called weighted training. This approach entails training a model to predict the probability of each data point appearing in either the treatment or control data and subsequently applying weighted losses during model training. We demonstrate that this approach achieves the least variance among all estimators that do not cause shifts in the training distributions. Through simulation studies, we demonstrate the lower bias and variance of our approach compared to other methods.

Few shot classification aims to learn to recognize novel categories using only limited samples per category. Most current few shot methods use a base dataset rich in labeled examples to train an encoder that is used for obtaining representations of support instances for novel classes. Since the test instances are from a distribution different to the base distribution, their feature representations are of poor quality, degrading performance. In this paper we propose to make use of the well-trained feature representations of the base dataset that are closest to each support instance to improve its representation during meta-test time. To this end, we propose BaseTransformers, that attends to the most relevant regions of the base dataset feature space and improves support instance representations. Experiments on three benchmark data sets show that our method works well for several backbones and achieves state-of-the-art results in the inductive one shot setting. Code is available at github.com/mayug/BaseTransformers

In this paper, we empirically study the optimization dynamics of multi-task learning, particularly focusing on those that govern a collection of tasks with significant data imbalance. We present a simple yet effective method of pre-training on high-resource tasks, followed by fine-tuning on a mixture of high/low-resource tasks. We provide a thorough empirical study and analysis of this method's benefits showing that it achieves consistent improvements relative to the performance trade-off profile of standard static weighting. We analyze under what data regimes this method is applicable and show its improvements empirically in neural machine translation (NMT) and multi-lingual language modeling.

We introduce a boosting algorithm to pre-process data for fairness. Starting from an initial fair but inaccurate distribution, our approach shifts towards better data fitting while still ensuring a minimal fairness guarantee. To do so, it learns the sufficient statistics of an exponential family with boosting-compliant convergence. Importantly, we are able to theoretically prove that the learned distribution will have a representation rate and statistical rate data fairness guarantee. Unlike recent optimization based pre-processing methods, our approach can be easily adapted for continuous domain features. Furthermore, when the weak learners are specified to be decision trees, the sufficient statistics of the learned distribution can be examined to provide clues on sources of (un)fairness. Empirical results are present to display the quality of result on real-world data.

Learning in weight spaces, where neural networks process the weights of other deep neural networks, has emerged as a promising research direction with applications in various fields, from analyzing and editing neural fields and implicit neural representations, to network pruning and quantization. Recent works designed architectures for effective learning in that space, which takes into account its unique, permutation-equivariant, structure. Unfortunately, so far these architectures suffer from severe overfitting and were shown to benefit from large datasets. This poses a significant challenge because generating data for this learning setup is laborious and time-consuming since each data sample is a full set of network weights that has to be trained. In this paper, we address this difficulty by investigating data augmentations for weight spaces, a set of techniques that enable generating new data examples on the fly without having to train additional input weight space elements. We first review several recently proposed data augmentation schemes %that were proposed recently and divide them into categories. We then introduce a novel augmentation scheme based on the Mixup method. We evaluate the performance of these techniques on existing benchmarks as well as new benchmarks we generate, which can be valuable for future studies.

For learning with noisy labels, the transition matrix, which explicitly models the relation between noisy label distribution and clean label distribution, has been utilized to achieve the statistical consistency of either the classifier or the risk. Previous researches have focused more on how to estimate this transition matrix well, rather than how to utilize it. We propose good utilization of the transition matrix is crucial and suggest a new utilization method based on resampling, coined RENT. Specifically, we first demonstrate current utilizations can have potential limitations for implementation. As an extension to Reweighting, we suggest the Dirichlet distribution-based per-sample Weight Sampling (DWS) framework, and compare reweighting and resampling under DWS framework. With the analyses from DWS, we propose RENT, a REsampling method with Noise Transition matrix. Empirically, RENT consistently outperforms existing transition matrix utilization methods, which includes reweighting, on various benchmark datasets. Our code is available at https://github.com/BaeHeeSun/RENT.

Supervised learning is often affected by a covariate shift in which the marginal distributions of instances (covariates x) of training and testing samples p_tr(x) and p_te(x) are different but the label conditionals coincide. Existing approaches address such covariate shift by either using the ratio p_te(x)/p_tr(x) to weight training samples (reweighted methods) or using the ratio p_tr(x)/p_te(x) to weight testing samples (robust methods). However, the performance of such approaches can be poor under support mismatch or when the above ratios take large values. We propose a minimax risk classification (MRC) approach for covariate shift adaptation that avoids such limitations by weighting both training and testing samples. In addition, we develop effective techniques that obtain both sets of weights and generalize the conventional kernel mean matching method. We provide novel generalization bounds for our method that show a significant increase in the effective sample size compared with reweighted methods. The proposed method also achieves enhanced classification performance in both synthetic and empirical experiments.

Instances-reweighted adversarial training (IRAT) can significantly boost the robustness of trained models, where data being less/more vulnerable to the given attack are assigned smaller/larger weights during training. However, when tested on attacks different from the given attack simulated in training, the robustness may drop significantly (e.g., even worse than no reweighting). In this paper, we study this problem and propose our solution--locally reweighted adversarial training (LRAT). The rationale behind IRAT is that we do not need to pay much attention to an instance that is already safe under the attack. We argue that the safeness should be attack-dependent, so that for the same instance, its weight can change given different attacks based on the same model. Thus, if the attack simulated in training is mis-specified, the weights of IRAT are misleading. To this end, LRAT pairs each instance with its adversarial variants and performs local reweighting inside each pair, while performing no global reweighting--the rationale is to fit the instance itself if it is immune to the attack, but not to skip the pair, in order to passively defend different attacks in future. Experiments show that LRAT works better than both IRAT (i.e., global reweighting) and the standard AT (i.e., no reweighting) when trained with an attack and tested on different attacks.

This paper introduces an efficient fine-tuning method for large pre-trained models, offering strong in-distribution (ID) and out-of-distribution (OOD) performance. Breaking away from traditional practices that need a multitude of fine-tuned models for averaging, our approach employs significantly fewer models to achieve final weights yet yield superior accuracy. Drawing from key insights in the weight space of fine-tuned weights, we uncover a strong link between the performance and proximity to the center of weight space. Based on this, we introduce a method that approximates a center-close weight using only two fine-tuned models, applicable during or after training. Our innovative layer-wise weight averaging technique surpasses state-of-the-art model methods such as Model Soup, utilizing only two fine-tuned models. This strategy can be aptly coined Model Stock, highlighting its reliance on selecting a minimal number of models to draw a more optimized-averaged model. We demonstrate the efficacy of Model Stock with fine-tuned models based upon pre-trained CLIP architectures, achieving remarkable performance on both ID and OOD tasks on the standard benchmarks, all while barely bringing extra computational demands. Our code and pre-trained models are available at https://github.com/naver-ai/model-stock.

Data selection is of great significance in pre-training large language models, given the variation in quality within the large-scale available training corpora. To achieve this, researchers are currently investigating the use of data influence to measure the importance of data instances, i.e., a high influence score indicates that incorporating this instance to the training set is likely to enhance the model performance. Consequently, they select the top-k instances with the highest scores. However, this approach has several limitations. (1) Computing the influence of all available data is time-consuming. (2) The selected data instances are not diverse enough, which may hinder the pre-trained model's ability to generalize effectively to various downstream tasks. In this paper, we introduce Quad, a data selection approach that considers both quality and diversity by using data influence to achieve state-of-the-art pre-training results. In particular, noting that attention layers capture extensive semantic details, we have adapted the accelerated iHVP computation methods for attention layers, enhancing our ability to evaluate the influence of data, i.e., its quality. For the diversity, Quad clusters the dataset into similar data instances within each cluster and diverse instances across different clusters. For each cluster, if we opt to select data from it, we take some samples to evaluate the influence to prevent processing all instances. To determine which clusters to select, we utilize the classic Multi-Armed Bandit method, treating each cluster as an arm. This approach favors clusters with highly influential instances (ensuring high quality) or clusters that have been selected less frequently (ensuring diversity), thereby well balancing between quality and diversity.

Collecting high-quality training examples for language model fine-tuning is expensive, with practical budgets limiting the amount of data that can be procured. We investigate whether example difficulty affects GRPO training effectiveness by comparing selection strategies (easy, medium, hard, random) across multiple models and reasoning tasks. Training on the hardest 10\% of examples (those where the base model fails most often) yields dramatic performance gains up to 47\%, while easy examples produce minimal improvements of 3-15\%. This occurs because GRPO requires outcome variance to generate learning signals; hard examples maintain mixed success/failure outcomes throughout training while easy examples quickly converge to consistent success, eliminating learning opportunities. Moreover, models trained on hard examples show superior out-of-distribution generalization, with only hard-trained models achieving meaningful gains on the AIME2025 benchmark. Our findings provide clear guidance: when budget-constrained, prioritize collecting and annotating examples where your base model struggles, as these drive nearly all learning value in GRPO fine-tuning

Machine learning models frequently experience performance drops under distribution shifts. The underlying cause of such shifts may be multiple simultaneous factors such as changes in data quality, differences in specific covariate distributions, or changes in the relationship between label and features. When a model does fail during deployment, attributing performance change to these factors is critical for the model developer to identify the root cause and take mitigating actions. In this work, we introduce the problem of attributing performance differences between environments to distribution shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game where the players are distributions. We define the value of a set of distributions to be the change in model performance when only this set of distributions has changed between environments, and derive an importance weighting method for computing the value of an arbitrary set of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on synthetic, semi-synthetic, and real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.

Estimating the difficulty of a dataset typically involves comparing state-of-the-art models to humans; the bigger the performance gap, the harder the dataset is said to be. However, this comparison provides little understanding of how difficult each instance in a given distribution is, or what attributes make the dataset difficult for a given model. To address these questions, we frame dataset difficulty -- w.r.t. a model V -- as the lack of V-usable information (Xu et al., 2019), where a lower value indicates a more difficult dataset for V. We further introduce pointwise \mathcal{V-information} (PVI) for measuring the difficulty of individual instances w.r.t. a given distribution. While standard evaluation metrics typically only compare different models for the same dataset, V-usable information and PVI also permit the converse: for a given model V, we can compare different datasets, as well as different instances/slices of the same dataset. Furthermore, our framework allows for the interpretability of different input attributes via transformations of the input, which we use to discover annotation artefacts in widely-used NLP benchmarks.

Curriculum learning, a training technique where data is presented to the model in order of example difficulty (e.g., from simpler to more complex documents), has shown limited success for pre-training language models. In this work, we investigate whether curriculum learning becomes competitive if we replace conventional human-centered difficulty metrics with one that more closely corresponds to example difficulty as observed during model training. Specifically, we experiment with sorting training examples by their training data influence, a score which estimates the effect of individual training examples on the model's output. Models trained on our curricula are able to outperform ones trained in random order by over 10 percentage points in benchmarks, confirming that curriculum learning is beneficial for language model pre-training, as long as a more model-centric notion of difficulty is adopted.

Assigning importance weights to adversarial data has achieved great success in training adversarially robust networks under limited model capacity. However, existing instance-reweighted adversarial training (AT) methods heavily depend on heuristics and/or geometric interpretations to determine those importance weights, making these algorithms lack rigorous theoretical justification/guarantee. Moreover, recent research has shown that adversarial training suffers from a severe non-uniform robust performance across the training distribution, e.g., data points belonging to some classes can be much more vulnerable to adversarial attacks than others. To address both issues, in this paper, we propose a novel doubly-robust instance reweighted AT framework, which allows to obtain the importance weights via exploring distributionally robust optimization (DRO) techniques, and at the same time boosts the robustness on the most vulnerable examples. In particular, our importance weights are obtained by optimizing the KL-divergence regularized loss function, which allows us to devise new algorithms with a theoretical convergence guarantee. Experiments on standard classification datasets demonstrate that our proposed approach outperforms related state-of-the-art baseline methods in terms of average robust performance, and at the same time improves the robustness against attacks on the weakest data points. Codes will be available soon.

Experts advising decision-makers are likely to display expertise which varies as a function of the problem instance. In practice, this may lead to sub-optimal or discriminatory decisions against minority cases. In this work we model such changes in depth and breadth of knowledge as a partitioning of the problem space into regions of differing expertise. We provide here new algorithms that explicitly consider and adapt to the relationship between problem instances and experts' knowledge. We first propose and highlight the drawbacks of a naive approach based on nearest neighbor queries. To address these drawbacks we then introduce a novel algorithm - expertise trees - that constructs decision trees enabling the learner to select appropriate models. We provide theoretical insights and empirically validate the improved performance of our novel approach on a range of problems for which existing methods proved to be inadequate.

The recent success of machine learning models, especially large-scale classifiers and language models, relies heavily on training with massive data. These data are often collected from online sources. This raises serious concerns about the protection of user data, as individuals may not have given consent for their data to be used in training. To address this concern, recent studies introduce the concept of unlearnable examples, i.e., data instances that appear natural but are intentionally altered to prevent models from effectively learning from them. While existing methods demonstrate empirical effectiveness, they typically rely on heuristic trials and lack formal guarantees. Besides, when unlearnable examples are mixed with clean data, as is often the case in practice, their unlearnability disappears. In this work, we propose a novel approach to constructing unlearnable examples by systematically maximising the Bayes error, a measurement of irreducible classification error. We develop an optimisation-based approach and provide an efficient solution using projected gradient ascent. Our method provably increases the Bayes error and remains effective when the unlearning examples are mixed with clean samples. Experimental results across multiple datasets and model architectures are consistent with our theoretical analysis and show that our approach can restrict data learnability, effectively in practice.

While large-scale training data is fundamental for developing capable large language models (LLMs), strategically selecting high-quality data has emerged as a critical approach to enhance training efficiency and reduce computational costs. Current data selection methodologies predominantly rely on static, training-agnostic criteria, failing to account for the dynamic model training and data interactions. In this paper, we propose a new Data Weighting Model (DWM) to adjust the weight of selected data within each batch to achieve a dynamic data utilization during LLM training. Specially, to better capture the dynamic data preference of the trained model, a bi-level optimization framework is implemented to update the weighting model. Our experiments demonstrate that DWM enhances the performance of models trained with randomly-selected data, and the learned weighting model can be transferred to enhance other data selection methods and models of different sizes. Moreover, we further analyze how a model's data preferences evolve throughout training, providing new insights into the data preference of the model during training.

Modern language models often have open weights but closed training data. We formalize the problem of data approximation from model weights and propose several baselines and metrics. We develop a gradient-based approach that selects the highest-matching data from a large public text corpus and show its effectiveness at recovering useful data given only weights of the original and finetuned models. Even when none of the true training data is known, our method is able to locate a small subset of public Web documents can be used to train a model to close to the original model performance given models trained for both classification and supervised-finetuning. On the AG News classification task, our method improves performance from 65% (using randomly selected data) to 80%, approaching the expert benchmark of 88%. When applied to a model trained with SFT on MSMARCO web documents, our method reduces perplexity from 3.3 to 2.3, compared to an expert LLAMA model's perplexity of 2.0.

Large foundation models are typically trained on data from multiple domains, with the data mixture--the proportion of each domain used--playing a critical role in model performance. The standard approach to selecting this mixture relies on trial and error, which becomes impractical for large-scale pretraining. We propose a systematic method to determine the optimal data mixture for any target domain using scaling laws. Our approach accurately predicts the loss of a model of size N trained with D tokens and a specific domain weight vector h. We validate the universality of these scaling laws by demonstrating their predictive power in three distinct and large-scale settings: large language model (LLM), native multimodal model (NMM), and large vision models (LVM) pretraining. We further show that these scaling laws can extrapolate to new data mixtures and across scales: their parameters can be accurately estimated using a few small-scale training runs, and used to estimate the performance at larger scales and unseen domain weights. The scaling laws allow to derive the optimal domain weights for any target domain under a given training budget (N,D), providing a principled alternative to costly trial-and-error methods.

Multiple Instance learning (MIL) models have been extensively used in pathology to predict biomarkers and risk-stratify patients from gigapixel-sized images. Machine learning problems in medical imaging often deal with rare diseases, making it important for these models to work in a label-imbalanced setting. In pathology images, there is another level of imbalance, where given a positively labeled Whole Slide Image (WSI), only a fraction of pixels within it contribute to the positive label. This compounds the severity of imbalance and makes imbalanced classification in pathology challenging. Furthermore, these imbalances can occur in out-of-distribution (OOD) datasets when the models are deployed in the real-world. We leverage the idea that decoupling feature and classifier learning can lead to improved decision boundaries for label imbalanced datasets. To this end, we investigate the integration of supervised contrastive learning with multiple instance learning (SC-MIL). Specifically, we propose a joint-training MIL framework in the presence of label imbalance that progressively transitions from learning bag-level representations to optimal classifier learning. We perform experiments with different imbalance settings for two well-studied problems in cancer pathology: subtyping of non-small cell lung cancer and subtyping of renal cell carcinoma. SC-MIL provides large and consistent improvements over other techniques on both in-distribution (ID) and OOD held-out sets across multiple imbalanced settings.

The TextClass Benchmark project is an ongoing, continuous benchmarking process that aims to provide a comprehensive, fair, and dynamic evaluation of LLMs and transformers for text classification tasks. This evaluation spans various domains and languages in social sciences disciplines engaged in NLP and text-as-data approach. The leaderboards present performance metrics and relative ranking using a tailored Elo rating system. With each leaderboard cycle, novel models are added, fixed test sets can be replaced for unseen, equivalent data to test generalisation power, ratings are updated, and a Meta-Elo leaderboard combines and weights domain-specific leaderboards. This article presents the rationale and motivation behind the project, explains the Elo rating system in detail, and estimates Meta-Elo across different classification tasks in social science disciplines. We also present a snapshot of the first cycle of classification tasks on incivility data in Chinese, English, German and Russian. This ongoing benchmarking process includes not only additional languages such as Arabic, Hindi, and Spanish but also a classification of policy agenda topics, misinformation, among others.

We study the data selection problem, whose aim is to select a small representative subset of data that can be used to efficiently train a machine learning model. We present a new data selection approach based on k-means clustering and sensitivity sampling. Assuming access to an embedding representation of the data with respect to which the model loss is H\"older continuous, our approach provably allows selecting a set of ``typical'' k + 1/varepsilon^2 elements whose average loss corresponds to the average loss of the whole dataset, up to a multiplicative (1pmvarepsilon) factor and an additive varepsilon lambda Phi_k, where Phi_k represents the k-means cost for the input embeddings and lambda is the H\"older constant. We furthermore demonstrate the performance and scalability of our approach on fine-tuning foundation models and show that it outperforms state-of-the-art methods. We also show how it can be applied on linear regression, leading to a new sampling strategy that surprisingly matches the performances of leverage score sampling, while being conceptually simpler and more scalable.

The coverage and composition of the pretraining data significantly impacts the generalization ability of Large Language Models (LLMs). Despite its importance, recent LLMs still rely on heuristics and trial and error to increase or reduce the influence of data-domains. We propose DOmain reweighting with Generalization Estimation (DoGE), which optimizes the probability of sampling from each domain (domain weights) in a principled way. Our approach is a two-stage process consisting of (i) training a proxy model to obtain domain weights using a bi-level optimization algorithm; (ii) training a larger base model by sampling training domains according to the learned domain weights. In our experiments, we extensively show how DoGE improves the generalization of the base model to any target data mixture. On the SlimPajama dataset, our base model gets better perplexity and few-shot reasoning accuracies across 6 tasks compared to baseline methods. Moreover, aiming to generalize to out-of-domain target tasks, which is unseen in the pretraining corpus (OOD domain), DoGE can effectively identify inter-domain dependencies, and consistently achieves better test perplexity on the target domain.

We present weight normalization: a reparameterization of the weight vectors in a neural network that decouples the length of those weight vectors from their direction. By reparameterizing the weights in this way we improve the conditioning of the optimization problem and we speed up convergence of stochastic gradient descent. Our reparameterization is inspired by batch normalization but does not introduce any dependencies between the examples in a minibatch. This means that our method can also be applied successfully to recurrent models such as LSTMs and to noise-sensitive applications such as deep reinforcement learning or generative models, for which batch normalization is less well suited. Although our method is much simpler, it still provides much of the speed-up of full batch normalization. In addition, the computational overhead of our method is lower, permitting more optimization steps to be taken in the same amount of time. We demonstrate the usefulness of our method on applications in supervised image recognition, generative modelling, and deep reinforcement learning.

As machine learning tasks continue to evolve, the trend has been to gather larger datasets and train increasingly larger models. While this has led to advancements in accuracy, it has also escalated computational costs to unsustainable levels. Addressing this, our work aims to strike a delicate balance between computational efficiency and model accuracy, a persisting challenge in the field. We introduce a novel method that employs core subset selection for reweighting, effectively optimizing both computational time and model performance. By focusing on a strategically selected coreset, our approach offers a robust representation, as it efficiently minimizes the influence of outliers. The re-calibrated weights are then mapped back to and propagated across the entire dataset. Our experimental results substantiate the effectiveness of this approach, underscoring its potential as a scalable and precise solution for model training.

Modern ML systems ingest data aggregated from diverse sources, such as synthetic, human-annotated, and live customer traffic. Understanding which examples are important to the performance of a learning algorithm is crucial for efficient model training. Recently, a growing body of literature has given rise to various "influence scores," which use training artifacts such as model confidence or checkpointed gradients to identify important subsets of data. However, these methods have primarily been developed in computer vision settings, and it remains unclear how well they generalize to language-based tasks using pretrained models. In this paper, we explore the applicability of influence scores in language classification tasks. We evaluate a diverse subset of these scores on the SNLI dataset by quantifying accuracy changes in response to pruning training data through random and influence-score-based sampling. We then stress-test one of the scores -- "variance of gradients" (VoG) from Agarwal et al. (2022) -- in an NLU model stack that was exposed to dynamic user speech patterns in a voice assistant type of setting. Our experiments demonstrate that in many cases, encoder-based language models can be finetuned on roughly 50% of the original data without degradation in performance metrics. Along the way, we summarize lessons learned from applying out-of-the-box implementations of influence scores, quantify the effects of noisy and class-imbalanced data, and offer recommendations on score-based sampling for better accuracy and training efficiency.

In Machine Learning, a benchmark refers to an ensemble of datasets associated with one or multiple metrics together with a way to aggregate different systems performances. They are instrumental in (i) assessing the progress of new methods along different axes and (ii) selecting the best systems for practical use. This is particularly the case for NLP with the development of large pre-trained models (e.g. GPT, BERT) that are expected to generalize well on a variety of tasks. While the community mainly focused on developing new datasets and metrics, there has been little interest in the aggregation procedure, which is often reduced to a simple average over various performance measures. However, this procedure can be problematic when the metrics are on a different scale, which may lead to spurious conclusions. This paper proposes a new procedure to rank systems based on their performance across different tasks. Motivated by the social choice theory, the final system ordering is obtained through aggregating the rankings induced by each task and is theoretically grounded. We conduct extensive numerical experiments (on over 270k scores) to assess the soundness of our approach both on synthetic and real scores (e.g. GLUE, EXTREM, SEVAL, TAC, FLICKR). In particular, we show that our method yields different conclusions on state-of-the-art systems than the mean-aggregation procedure while being both more reliable and robust.

Prompt-based classifiers are an attractive approach for zero-shot classification. However, the precise choice of the prompt template and label words can largely influence performance, with semantically equivalent settings often showing notable performance difference. This discrepancy can be partly attributed to word biases, where the classifier may be biased towards classes. To address this problem, it is possible to optimise classification thresholds on a labelled data set, however, this mitigates some of the advantages of prompt-based classifiers. This paper instead approaches this problem by examining the expected marginal probabilities of the classes. Here, probabilities are reweighted to have a uniform prior over classes, in an unsupervised fashion. Further, we draw a theoretical connection between the class priors and the language models' word prior, and offer the ability to set a threshold in a zero-resource fashion. We show that matching class priors correlates strongly with the oracle upper bound performance and demonstrate large consistent performance gains for prompt settings over a range of NLP tasks.

Current pre-trained language models rely on large datasets for achieving state-of-the-art performance. However, past research has shown that not all examples in a dataset are equally important during training. In fact, it is sometimes possible to prune a considerable fraction of the training set while maintaining the test performance. Established on standard vision benchmarks, two gradient-based scoring metrics for finding important examples are GraNd and its estimated version, EL2N. In this work, we employ these two metrics for the first time in NLP. We demonstrate that these metrics need to be computed after at least one epoch of fine-tuning and they are not reliable in early steps. Furthermore, we show that by pruning a small portion of the examples with the highest GraNd/EL2N scores, we can not only preserve the test accuracy, but also surpass it. This paper details adjustments and implementation choices which enable GraNd and EL2N to be applied to NLP.

In information retrieval, training reranking models mainly focuses on two types of objectives: metric learning (e.g. contrastive loss to increase the predicted scores on relevant query-document pairs) and classification (binary label prediction of relevance vs. irrelevance). For BERT-style encoders, various studies have shown that contrastive learning (CL) can be more effective than discriminative (classification) learning. However, for large language models (LLMs), classification via supervised fine-tuning (SFT), which predicts ''yes'' (resp. ''no'') token for relevant (resp. irrelevant) pairs, appears more promising as it aligns well with the generative nature of LLMs. This divergence raises a central question: which objective is intrinsically better suited to LLM-based reranking, and what mechanism underlies the difference? In this work, we conduct a comprehensive comparison and analysis between CL and SFT for reranking, taking the universal multimodal retrieval (UMR) as the experimental playground. We first decompose the objectives into two components: weight, which controls the magnitude of those updates, and direction, which guides the model updates, then present a unified framework for understanding their interactions. Through probing experiments, we find that SFT provides a substantially stronger weighting scheme than CL, whereas the preferred scoring direction shows no clear winner. Taken together, these results point to a consistent advantage of SFT over CL for LLM reranking. To further validate our findings, we conduct large-scale training with SFT and present new state-of-the-art rerankers on the MRB benchmark. We also provide ablations on SFT settings and expect our findings to benefit future research and applications in this area.

A family of loss functions built on pair-based computation have been proposed in the literature which provide a myriad of solutions for deep metric learning. In this paper, we provide a general weighting framework for understanding recent pair-based loss functions. Our contributions are three-fold: (1) we establish a General Pair Weighting (GPW) framework, which casts the sampling problem of deep metric learning into a unified view of pair weighting through gradient analysis, providing a powerful tool for understanding recent pair-based loss functions; (2) we show that with GPW, various existing pair-based methods can be compared and discussed comprehensively, with clear differences and key limitations identified; (3) we propose a new loss called multi-similarity loss (MS loss) under the GPW, which is implemented in two iterative steps (i.e., mining and weighting). This allows it to fully consider three similarities for pair weighting, providing a more principled approach for collecting and weighting informative pairs. Finally, the proposed MS loss obtains new state-of-the-art performance on four image retrieval benchmarks, where it outperforms the most recent approaches, such as ABEKim_2018_ECCV and HTL by a large margin: 60.6% to 65.7% on CUB200, and 80.9% to 88.0% on In-Shop Clothes Retrieval dataset at Recall@1. Code is available at https://github.com/MalongTech/research-ms-loss.

Continual pre-training on small-scale task-specific data is an effective method for improving large language models in new target fields, yet it risks catastrophic forgetting of their original capabilities. A common solution is to re-weight training data mixtures from source and target fields on a domain space to achieve balanced performance. Previous domain reweighting strategies rely on manual designation with certain heuristics based on human intuition or empirical results. In this work, we prove that more general heuristics can be parameterized by proposing Data Mixing Agent, the first model-based, end-to-end framework that learns to re-weight domains. The agent learns generalizable heuristics through reinforcement learning on large quantities of data mixing trajectories with corresponding feedback from an evaluation environment. Experiments in continual pre-training on math reasoning show that Data Mixing Agent outperforms strong baselines in achieving balanced performance across source and target field benchmarks. Furthermore, it generalizes well across unseen source fields, target models, and domain spaces without retraining. Direct application to the code generation field also indicates its adaptability across target domains. Further analysis showcases the agents' well-aligned heuristics with human intuitions and their efficiency in achieving superior model performance with less source-field data.

Training large language models with data collected from various domains can improve their performance on downstream tasks. However, given a fixed training budget, the sampling proportions of these different domains significantly impact the model's performance. How can we determine the domain weights across different data domains to train the best-performing model within constrained computational resources? In this paper, we provide a comprehensive overview of existing data mixture methods. First, we propose a fine-grained categorization of existing methods, extending beyond the previous offline and online classification. Offline methods are further grouped into heuristic-based, algorithm-based, and function fitting-based methods. For online methods, we categorize them into three groups: online min-max optimization, online mixing law, and other approaches by drawing connections with the optimization frameworks underlying offline methods. Second, we summarize the problem formulations, representative algorithms for each subtype of offline and online methods, and clarify the relationships and distinctions among them. Finally, we discuss the advantages and disadvantages of each method and highlight key challenges in the field of data mixture.

Correct labels are indispensable for training effective machine learning models. However, creating high-quality labels is expensive, and even professionally labeled data contains errors and ambiguities. Filtering and denoising can be applied to curate labeled data prior to training, at the cost of additional processing and loss of information. An alternative is on-the-fly sample reweighting during the training process to decrease the negative impact of incorrect or ambiguous labels, but this typically requires clean seed data. In this work we propose unsupervised on-the-fly meta loss rescaling to reweight training samples. Crucially, we rely only on features provided by the model being trained, to learn a rescaling function in real time without knowledge of the true clean data distribution. We achieve this via a novel meta learning setup that samples validation data for the meta update directly from the noisy training corpus by employing the rescaling function being trained. Our proposed method consistently improves performance across various NLP tasks with minimal computational overhead. Further, we are among the first to attempt on-the-fly training data reweighting on the challenging task of dialogue modeling, where noisy and ambiguous labels are common. Our strategy is robust in the face of noisy and clean data, handles class imbalance, and prevents overfitting to noisy labels. Our self-taught loss rescaling improves as the model trains, showing the ability to keep learning from the model's own signals. As training progresses, the impact of correctly labeled data is scaled up, while the impact of wrongly labeled data is suppressed.

The weight matrix (WM) of a neural network (NN) is its program. The programs of many traditional NNs are learned through gradient descent in some error function, then remain fixed. The WM of a self-referential NN, however, can keep rapidly modifying all of itself during runtime. In principle, such NNs can meta-learn to learn, and meta-meta-learn to meta-learn to learn, and so on, in the sense of recursive self-improvement. While NN architectures potentially capable of implementing such behaviour have been proposed since the '90s, there have been few if any practical studies. Here we revisit such NNs, building upon recent successes of fast weight programmers and closely related linear Transformers. We propose a scalable self-referential WM (SRWM) that learns to use outer products and the delta update rule to modify itself. We evaluate our SRWM in supervised few-shot learning and in multi-task reinforcement learning with procedurally generated game environments. Our experiments demonstrate both practical applicability and competitive performance of the proposed SRWM. Our code is public.

Weighting methods in causal inference have been widely used to achieve a desirable level of covariate balancing. However, the existing weighting methods have desirable theoretical properties only when a certain model, either the propensity score or outcome regression model, is correctly specified. In addition, the corresponding estimators do not behave well for finite samples due to large variance even when the model is correctly specified. In this paper, we consider to use the integral probability metric (IPM), which is a metric between two probability measures, for covariate balancing. Optimal weights are determined so that weighted empirical distributions for the treated and control groups have the smallest IPM value for a given set of discriminators. We prove that the corresponding estimator can be consistent without correctly specifying any model (neither the propensity score nor the outcome regression model). In addition, we empirically show that our proposed method outperforms existing weighting methods with large margins for finite samples.

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.

Metric space magnitude, an active subject of research in algebraic topology, originally arose in the context of biology, where it was used to represent the effective number of distinct species in an environment. In a more general setting, the magnitude of a metric space is a real number that aims to quantify the effective number of distinct points in the space. The contribution of each point to a metric space's global magnitude, which is encoded by the {\em weighting vector}, captures much of the underlying geometry of the original metric space. Surprisingly, when the metric space is Euclidean, the weighting vector also serves as an effective tool for boundary detection. This allows the weighting vector to serve as the foundation of novel algorithms for classic machine learning tasks such as classification, outlier detection and active learning. We demonstrate, using experiments and comparisons on classic benchmark datasets, the promise of the proposed magnitude and weighting vector-based approaches.

While scaling laws provide a reliable methodology for predicting train loss across compute scales for a single data distribution, less is known about how these predictions should change as we change the distribution. In this paper, we derive a strategy for predicting one loss from another and apply it to predict across different pre-training datasets and from pre-training data to downstream task data. Our predictions extrapolate well even at 20x the largest FLOP budget used to fit the curves. More precisely, we find that there are simple shifted power law relationships between (1) the train losses of two models trained on two separate datasets when the models are paired by training compute (train-to-train), (2) the train loss and the test loss on any downstream distribution for a single model (train-to-test), and (3) the test losses of two models trained on two separate train datasets (test-to-test). The results hold up for pre-training datasets that differ substantially (some are entirely code and others have no code at all) and across a variety of downstream tasks. Finally, we find that in some settings these shifted power law relationships can yield more accurate predictions than extrapolating single-dataset scaling laws.

Learning from Label Proportions (LLP) is a learning problem where only aggregate level labels are available for groups of instances, called bags, during training, and the aim is to get the best performance at the instance-level on the test data. This setting arises in domains like advertising and medicine due to privacy considerations. We propose a novel algorithmic framework for this problem that iteratively performs two main steps. For the first step (Pseudo Labeling) in every iteration, we define a Gibbs distribution over binary instance labels that incorporates a) covariate information through the constraint that instances with similar covariates should have similar labels and b) the bag level aggregated label. We then use Belief Propagation (BP) to marginalize the Gibbs distribution to obtain pseudo labels. In the second step (Embedding Refinement), we use the pseudo labels to provide supervision for a learner that yields a better embedding. Further, we iterate on the two steps again by using the second step's embeddings as new covariates for the next iteration. In the final iteration, a classifier is trained using the pseudo labels. Our algorithm displays strong gains against several SOTA baselines (up to 15%) for the LLP Binary Classification problem on various dataset types - tabular and Image. We achieve these improvements with minimal computational overhead above standard supervised learning due to Belief Propagation, for large bag sizes, even for a million samples.

In observational studies, balancing covariates in different treatment groups is essential to estimate treatment effects. One of the most commonly used methods for such purposes is weighting. The performance of this class of methods usually depends on strong regularity conditions for the underlying model, which might not hold in practice. In this paper, we investigate weighting methods from a functional estimation perspective and argue that the weights needed for covariate balancing could differ from those needed for treatment effects estimation under low regularity conditions. Motivated by this observation, we introduce a new framework of weighting that directly targets the treatment effects estimation. Unlike existing methods, the resulting estimator for a treatment effect under this new framework is a simple kernel-based U-statistic after applying a data-driven transformation to the observed covariates. We characterize the theoretical properties of the new estimators of treatment effects under a nonparametric setting and show that they are able to work robustly under low regularity conditions. The new framework is also applied to several numerical examples to demonstrate its practical merits.

The need for effective unlearning mechanisms in large language models (LLMs) is increasingly urgent, driven by the necessity to adhere to data regulations and foster ethical generative AI practices. Despite growing interest of LLM unlearning, much of the existing research has focused on varied unlearning method designs to boost effectiveness and efficiency. However, the inherent relationship between model weights and LLM unlearning has not been extensively examined. In this paper, we systematically explore how model weights interact with unlearning processes in LLMs and we design the weight attribution-guided LLM unlearning method, WAGLE, which unveils the interconnections between 'influence' of weights and 'influence' of data to forget and retain in LLM generation. By strategically guiding the LLM unlearning across different types of unlearning methods and tasks, WAGLE can erase the undesired content, while maintaining the performance of the original tasks. We refer to the weight attribution-guided LLM unlearning method as WAGLE, which unveils the interconnections between 'influence' of weights and 'influence' of data to forget and retain in LLM generation. Our extensive experiments show that WAGLE boosts unlearning performance across a range of LLM unlearning methods such as gradient difference and (negative) preference optimization, applications such as fictitious unlearning, malicious use prevention, and copyrighted information removal, and models including Zephyr-7b-beta and Llama2-7b. To the best of our knowledge, our work offers the first principled method for attributing and pinpointing the influential weights in enhancing LLM unlearning. It stands in contrast to previous methods that lack weight attribution and simpler weight attribution techniques.

Self-supervised learning has recently achieved great success in representation learning without human annotations. The dominant method -- that is contrastive learning, is generally based on instance discrimination tasks, i.e., individual samples are treated as independent categories. However, presuming all the samples are different contradicts the natural grouping of similar samples in common visual datasets, e.g., multiple views of the same dog. To bridge the gap, this paper proposes an adaptive method that introduces soft inter-sample relations, namely Adaptive Soft Contrastive Learning (ASCL). More specifically, ASCL transforms the original instance discrimination task into a multi-instance soft discrimination task, and adaptively introduces inter-sample relations. As an effective and concise plug-in module for existing self-supervised learning frameworks, ASCL achieves the best performance on several benchmarks in terms of both performance and efficiency. Code is available at https://github.com/MrChenFeng/ASCL_ICPR2022.

Weight oscillation is an undesirable side effect of quantization-aware training, in which quantized weights frequently jump between two quantized levels, resulting in training instability and a sub-optimal final model. We discover that the learnable scaling factor, a widely-used de facto setting in quantization aggravates weight oscillation. In this study, we investigate the connection between the learnable scaling factor and quantized weight oscillation and use ViT as a case driver to illustrate the findings and remedies. In addition, we also found that the interdependence between quantized weights in query and key of a self-attention layer makes ViT vulnerable to oscillation. We, therefore, propose three techniques accordingly: statistical weight quantization (rm StatsQ) to improve quantization robustness compared to the prevalent learnable-scale-based method; confidence-guided annealing (rm CGA) that freezes the weights with high confidence and calms the oscillating weights; and query-key reparameterization (rm QKR) to resolve the query-key intertwined oscillation and mitigate the resulting gradient misestimation. Extensive experiments demonstrate that these proposed techniques successfully abate weight oscillation and consistently achieve substantial accuracy improvement on ImageNet. Specifically, our 2-bit DeiT-T/DeiT-S algorithms outperform the previous state-of-the-art by 9.8% and 7.7%, respectively. Code and models are available at: https://github.com/nbasyl/OFQ.

Scaling laws predict the loss of a target machine learning model by extrapolating from easier-to-train models with fewer parameters or smaller training sets. This provides an efficient way for practitioners and researchers alike to compare pretraining decisions involving optimizers, datasets, and model architectures. Despite the widespread use of scaling laws to model the dynamics of language model training, there has been little work on understanding how to best estimate and interpret them. We collect (and release) a large-scale dataset containing losses and downstream evaluations for 485 previously published pretrained models. We use these to estimate more than 1000 scaling laws, then derive a set of best practices for estimating scaling laws in new model families. We find that fitting scaling laws to intermediate checkpoints of training runs (and not just their final losses) substantially improves accuracy, and that -- all else equal -- estimates of performance are generally most accurate when derived from other models of similar sizes. However, because there is a significant degree of variability across model seeds, training multiple small models is sometimes more useful than training a single large one. Moreover, while different model families differ scaling behavior, they are often similar enough that a target model's behavior can be predicted from a single model with the same architecture, along with scaling parameter estimates derived from other model families.

When selecting data for training large-scale models, standard practice is to filter for examples that match human notions of data quality. Such filtering yields qualitatively clean datapoints that intuitively should improve model behavior. However, in practice the opposite can often happen: we find that selecting according to similarity with "high quality" data sources may not increase (and can even hurt) performance compared to randomly selecting data. To develop better methods for selecting data, we start by framing dataset selection as an optimization problem that we can directly solve for: given target tasks, a learning algorithm, and candidate data, select the subset that maximizes model performance. This framework thus avoids handpicked notions of data quality, and instead models explicitly how the learning process uses train datapoints to predict on the target tasks. Our resulting method greatly improves language model (LM) performance on both pre-specified tasks and previously unseen tasks. Specifically, choosing target tasks representative of standard LM problems and evaluating on diverse held-out benchmarks, our selected datasets provide a 2x compute multiplier over baseline methods.

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.

Multiple Instance Learning (MIL) is a powerful framework for weakly supervised learning, particularly useful when fine-grained annotations are unavailable. Despite growing interest in deep MIL methods, the field lacks standardized tools for model development, evaluation, and comparison, which hinders reproducibility and accessibility. To address this, we present torchmil, an open-source Python library built on PyTorch. torchmil offers a unified, modular, and extensible framework, featuring basic building blocks for MIL models, a standardized data format, and a curated collection of benchmark datasets and models. The library includes comprehensive documentation and tutorials to support both practitioners and researchers. torchmil aims to accelerate progress in MIL and lower the entry barrier for new users. Available at https://torchmil.readthedocs.io.

In this work, we present a novel approach for simultaneous knowledge transfer and model compression called Weight Squeezing. With this method, we perform knowledge transfer from a teacher model by learning the mapping from its weights to smaller student model weights. We applied Weight Squeezing to a pre-trained text classification model based on BERT-Medium model and compared our method to various other knowledge transfer and model compression methods on GLUE multitask benchmark. We observed that our approach produces better results while being significantly faster than other methods for training student models. We also proposed a variant of Weight Squeezing called Gated Weight Squeezing, for which we combined fine-tuning of BERT-Medium model and learning mapping from BERT-Base weights. We showed that fine-tuning with Gated Weight Squeezing outperforms plain fine-tuning of BERT-Medium model as well as other concurrent SoTA approaches while much being easier to implement.

Machine learning models are often used to inform real world risk assessment tasks: predicting consumer default risk, predicting whether a person suffers from a serious illness, or predicting a person's risk to appear in court. Given multiple models that perform almost equally well for a prediction task, to what extent do predictions vary across these models? If predictions are relatively consistent for similar models, then the standard approach of choosing the model that optimizes a penalized loss suffices. But what if predictions vary significantly for similar models? In machine learning, this is referred to as predictive multiplicity i.e. the prevalence of conflicting predictions assigned by near-optimal competing models. In this paper, we present a framework for measuring predictive multiplicity in probabilistic classification (predicting the probability of a positive outcome). We introduce measures that capture the variation in risk estimates over the set of competing models, and develop optimization-based methods to compute these measures efficiently and reliably for convex empirical risk minimization problems. We demonstrate the incidence and prevalence of predictive multiplicity in real-world tasks. Further, we provide insight into how predictive multiplicity arises by analyzing the relationship between predictive multiplicity and data set characteristics (outliers, separability, and majority-minority structure). Our results emphasize the need to report predictive multiplicity more widely.

Instance embeddings are an efficient and versatile image representation that facilitates applications like recognition, verification, retrieval, and clustering. Many metric learning methods represent the input as a single point in the embedding space. Often the distance between points is used as a proxy for match confidence. However, this can fail to represent uncertainty arising when the input is ambiguous, e.g., due to occlusion or blurriness. This work addresses this issue and explicitly models the uncertainty by hedging the location of each input in the embedding space. We introduce the hedged instance embedding (HIB) in which embeddings are modeled as random variables and the model is trained under the variational information bottleneck principle. Empirical results on our new N-digit MNIST dataset show that our method leads to the desired behavior of hedging its bets across the embedding space upon encountering ambiguous inputs. This results in improved performance for image matching and classification tasks, more structure in the learned embedding space, and an ability to compute a per-exemplar uncertainty measure that is correlated with downstream performance.

Many evaluation metrics can be used to assess the performance of models in binary classification tasks. However, most of them are derived from a confusion matrix in a non-differentiable form, making it very difficult to generate a differentiable loss function that could directly optimize them. The lack of solutions to bridge this challenge not only hinders our ability to solve difficult tasks, such as imbalanced learning, but also requires the deployment of computationally expensive hyperparameter search processes in model selection. In this paper, we propose a general-purpose approach that transforms any confusion matrix-based metric into a loss function, AnyLoss, that is available in optimization processes. To this end, we use an approximation function to make a confusion matrix represented in a differentiable form, and this approach enables any confusion matrix-based metric to be directly used as a loss function. The mechanism of the approximation function is provided to ensure its operability and the differentiability of our loss functions is proved by suggesting their derivatives. We conduct extensive experiments under diverse neural networks with many datasets, and we demonstrate their general availability to target any confusion matrix-based metrics. Our method, especially, shows outstanding achievements in dealing with imbalanced datasets, and its competitive learning speed, compared to multiple baseline models, underscores its efficiency.

In high dimension, low sample size (HDLSS) settings, classifiers based on Euclidean distances like the nearest neighbor classifier and the average distance classifier perform quite poorly if differences between locations of the underlying populations get masked by scale differences. To rectify this problem, several modifications of these classifiers have been proposed in the literature. However, existing methods are confined to location and scale differences only, and often fail to discriminate among populations differing outside of the first two moments. In this article, we propose some simple transformations of these classifiers resulting into improved performance even when the underlying populations have the same location and scale. We further propose a generalization of these classifiers based on the idea of grouping of variables. The high-dimensional behavior of the proposed classifiers is studied theoretically. Numerical experiments with a variety of simulated examples as well as an extensive analysis of real data sets exhibit advantages of the proposed methods.

In precision-oriented tasks like answer ranking, it is more important to rank many relevant answers highly than to retrieve all relevant answers. It follows that a good ranking strategy would be to learn how to identify the easiest correct answers first (i.e., assign a high ranking score to answers that have characteristics that usually indicate relevance, and a low ranking score to those with characteristics that do not), before incorporating more complex logic to handle difficult cases (e.g., semantic matching or reasoning). In this work, we apply this idea to the training of neural answer rankers using curriculum learning. We propose several heuristics to estimate the difficulty of a given training sample. We show that the proposed heuristics can be used to build a training curriculum that down-weights difficult samples early in the training process. As the training process progresses, our approach gradually shifts to weighting all samples equally, regardless of difficulty. We present a comprehensive evaluation of our proposed idea on three answer ranking datasets. Results show that our approach leads to superior performance of two leading neural ranking architectures, namely BERT and ConvKNRM, using both pointwise and pairwise losses. When applied to a BERT-based ranker, our method yields up to a 4% improvement in MRR and a 9% improvement in P@1 (compared to the model trained without a curriculum). This results in models that can achieve comparable performance to more expensive state-of-the-art techniques.

We expect the generalization error to improve with more samples from a similar task, and to deteriorate with more samples from an out-of-distribution (OOD) task. In this work, we show a counter-intuitive phenomenon: the generalization error of a task can be a non-monotonic function of the number of OOD samples. As the number of OOD samples increases, the generalization error on the target task improves before deteriorating beyond a threshold. In other words, there is value in training on small amounts of OOD data. We use Fisher's Linear Discriminant on synthetic datasets and deep networks on computer vision benchmarks such as MNIST, CIFAR-10, CINIC-10, PACS and DomainNet to demonstrate and analyze this phenomenon. In the idealistic setting where we know which samples are OOD, we show that these non-monotonic trends can be exploited using an appropriately weighted objective of the target and OOD empirical risk. While its practical utility is limited, this does suggest that if we can detect OOD samples, then there may be ways to benefit from them. When we do not know which samples are OOD, we show how a number of go-to strategies such as data-augmentation, hyper-parameter optimization, and pre-training are not enough to ensure that the target generalization error does not deteriorate with the number of OOD samples in the dataset.

We study the problem of learning mixtures of Gaussians with censored data. Statistical learning with censored data is a classical problem, with numerous practical applications, however, finite-sample guarantees for even simple latent variable models such as Gaussian mixtures are missing. Formally, we are given censored data from a mixture of univariate Gaussians $sum_{i=1}^k w_i N(mu_i,sigma^2), i.e. the sample is observed only if it lies inside a set S. The goal is to learn the weights w_i and the means \mu_i. We propose an algorithm that takes only 1{\varepsilon^{O(k)}} samples to estimate the weights w_i and the means \mu_i within \varepsilon$ error.

Evaluation benchmarks are the cornerstone of measuring capabilities of large language models (LLMs), as well as driving progress in said capabilities. Originally designed to make claims about capabilities (or lack thereof) in fully pretrained models, evaluation benchmarks are now also extensively used to decide between various training choices. Despite this widespread usage, we rarely quantify the variance in our evaluation benchmarks, which dictates whether differences in performance are meaningful. Here, we define and measure a range of metrics geared towards measuring variance in evaluation benchmarks, including seed variance across initialisations, and monotonicity during training. By studying a large number of models -- both openly available and pretrained from scratch -- we provide empirical estimates for a variety of variance metrics, with considerations and recommendations for practitioners. We also evaluate the utility and tradeoffs of continuous versus discrete performance measures and explore options for better understanding and reducing this variance. We find that simple changes, such as framing choice tasks (like MMLU) as completion tasks, can often reduce variance for smaller scale (sim7B) models, while more involved methods inspired from human testing literature (such as item analysis and item response theory) struggle to meaningfully reduce variance. Overall, our work provides insights into variance in evaluation benchmarks, suggests LM-specific techniques to reduce variance, and more generally encourages practitioners to carefully factor in variance when comparing models.

We introduce Filter Like You Test (FLYT), a method for curating large-scale vision-language datasets that learns the usefulness of each data point as a pretraining example. FLYT trains a scoring model that learns to weigh each example using gradient signals from downstream tasks training sets. Using the same training methodology, we develop Mixing-FLYT (M-FLYT), which takes the per-example scores generated by different scoring methods and learns to unify them into a single score. Our training methodology naturally produces a distribution over the training examples, which we leverage through Soft Cap Sampling (SCS), a strategy for obtaining a filtered pretraining dataset from per-example probabilities that samples examples while preventing over-representation through a repetition penalty. Using all three methods, we achieve 40.1% ImageNet zero-shot accuracy on the DataComp medium scale filtering benchmark, a 1.9% absolute accuracy increase over all previous results and a 5.5% increase over results that -- like us -- use only public resources.

Given a set of dissimilarity measurements amongst data points, determining what metric representation is most "consistent" with the input measurements or the metric that best captures the relevant geometric features of the data is a key step in many machine learning algorithms. Existing methods are restricted to specific kinds of metrics or small problem sizes because of the large number of metric constraints in such problems. In this paper, we provide an active set algorithm, Project and Forget, that uses Bregman projections, to solve metric constrained problems with many (possibly exponentially) inequality constraints. We provide a theoretical analysis of Project and Forget and prove that our algorithm converges to the global optimal solution and that the L_2 distance of the current iterate to the optimal solution decays asymptotically at an exponential rate. We demonstrate that using our method we can solve large problem instances of three types of metric constrained problems: general weight correlation clustering, metric nearness, and metric learning; in each case, out-performing the state of the art methods with respect to CPU times and problem sizes.

Neural architecture search (NAS) has shown promising results discovering models that are both accurate and fast. For NAS, training a one-shot model has become a popular strategy to rank the relative quality of different architectures (child models) using a single set of shared weights. However, while one-shot model weights can effectively rank different network architectures, the absolute accuracies from these shared weights are typically far below those obtained from stand-alone training. To compensate, existing methods assume that the weights must be retrained, finetuned, or otherwise post-processed after the search is completed. These steps significantly increase the compute requirements and complexity of the architecture search and model deployment. In this work, we propose BigNAS, an approach that challenges the conventional wisdom that post-processing of the weights is necessary to get good prediction accuracies. Without extra retraining or post-processing steps, we are able to train a single set of shared weights on ImageNet and use these weights to obtain child models whose sizes range from 200 to 1000 MFLOPs. Our discovered model family, BigNASModels, achieve top-1 accuracies ranging from 76.5% to 80.9%, surpassing state-of-the-art models in this range including EfficientNets and Once-for-All networks without extra retraining or post-processing. We present ablative study and analysis to further understand the proposed BigNASModels.

The dominant approach to generating from language models subject to some constraint is locally constrained decoding (LCD), incrementally sampling tokens at each time step such that the constraint is never violated. Typically, this is achieved through token masking: looping over the vocabulary and excluding non-conforming tokens. There are two important problems with this approach. (i) Evaluating the constraint on every token can be prohibitively expensive -- LM vocabularies often exceed 100,000 tokens. (ii) LCD can distort the global distribution over strings, sampling tokens based only on local information, even if they lead down dead-end paths. This work introduces a new algorithm that addresses both these problems. First, to avoid evaluating a constraint on the full vocabulary at each step of generation, we propose an adaptive rejection sampling algorithm that typically requires orders of magnitude fewer constraint evaluations. Second, we show how this algorithm can be extended to produce low-variance, unbiased estimates of importance weights at a very small additional cost -- estimates that can be soundly used within previously proposed sequential Monte Carlo algorithms to correct for the myopic behavior of local constraint enforcement. Through extensive empirical evaluation in text-to-SQL, molecular synthesis, goal inference, pattern matching, and JSON domains, we show that our approach is superior to state-of-the-art baselines, supporting a broader class of constraints and improving both runtime and performance. Additional theoretical and empirical analyses show that our method's runtime efficiency is driven by its dynamic use of computation, scaling with the divergence between the unconstrained and constrained LM, and as a consequence, runtime improvements are greater for better models.

We propose a new definition of instance optimality for differentially private estimation algorithms. Our definition requires an optimal algorithm to compete, simultaneously for every dataset D, with the best private benchmark algorithm that (a) knows D in advance and (b) is evaluated by its worst-case performance on large subsets of D. That is, the benchmark algorithm need not perform well when potentially extreme points are added to D; it only has to handle the removal of a small number of real data points that already exist. This makes our benchmark significantly stronger than those proposed in prior work. We nevertheless show, for real-valued datasets, how to construct private algorithms that achieve our notion of instance optimality when estimating a broad class of dataset properties, including means, quantiles, and ell_p-norm minimizers. For means in particular, we provide a detailed analysis and show that our algorithm simultaneously matches or exceeds the asymptotic performance of existing algorithms under a range of distributional assumptions.

Large language models encode impressively broad world knowledge in their parameters. However, the knowledge in static language models falls out of date, limiting the model's effective "shelf life." While online fine-tuning can reduce this degradation, we find that naively fine-tuning on a stream of documents leads to a low level of information uptake. We hypothesize that online fine-tuning does not sufficiently attend to important information. That is, the gradient signal from important tokens representing factual information is drowned out by the gradient from inherently noisy tokens, suggesting that a dynamic, context-aware learning rate may be beneficial. We therefore propose learning which tokens to upweight. We meta-train a small, autoregressive model to reweight the language modeling loss for each token during online fine-tuning, with the objective of maximizing the out-of-date base question-answering model's ability to answer questions about a document after a single weighted gradient step. We call this approach Context-aware Meta-learned Loss Scaling (CaMeLS). Across three different distributions of documents, our experiments find that CaMeLS provides substantially improved information uptake on streams of thousands of documents compared with standard fine-tuning and baseline heuristics for reweighting token losses.

Automated model selection is often proposed to users to choose which machine learning model (or method) to apply to a given regression task. In this paper, we show that combining different regression models can yield better results than selecting a single ('best') regression model, and outline an efficient method that obtains optimally weighted convex linear combination from a heterogeneous set of regression models. More specifically, in this paper, a heuristic weight optimization, used in a preceding conference paper, is replaced by an exact optimization algorithm using convex quadratic programming. We prove convexity of the quadratic programming formulation for the straightforward formulation and for a formulation with weighted data points. The novel weight optimization is not only (more) exact but also more efficient. The methods we develop in this paper are implemented and made available via github-open source. They can be executed on commonly available hardware and offer a transparent and easy to interpret interface. The results indicate that the approach outperforms model selection methods on a range of data sets, including data sets with mixed variable type from drug discovery applications.

FOLD-RM is an explainable machine learning classification algorithm that uses training data to create a set of classification rules. In this paper we introduce CON-FOLD which extends FOLD-RM in several ways. CON-FOLD assigns probability-based confidence scores to rules learned for a classification task. This allows users to know how confident they should be in a prediction made by the model. We present a confidence-based pruning algorithm that uses the unique structure of FOLD-RM rules to efficiently prune rules and prevent overfitting. Furthermore, CON-FOLD enables the user to provide pre-existing knowledge in the form of logic program rules that are either (fixed) background knowledge or (modifiable) initial rule candidates. The paper describes our method in detail and reports on practical experiments. We demonstrate the performance of the algorithm on benchmark datasets from the UCI Machine Learning Repository. For that, we introduce a new metric, Inverse Brier Score, to evaluate the accuracy of the produced confidence scores. Finally we apply this extension to a real world example that requires explainability: marking of student responses to a short answer question from the Australian Physics Olympiad.

Classifier-Free Guidance (CFG) enhances the quality and condition adherence of text-to-image diffusion models. It operates by combining the conditional and unconditional predictions using a fixed weight. However, recent works vary the weights throughout the diffusion process, reporting superior results but without providing any rationale or analysis. By conducting comprehensive experiments, this paper provides insights into CFG weight schedulers. Our findings suggest that simple, monotonically increasing weight schedulers consistently lead to improved performances, requiring merely a single line of code. In addition, more complex parametrized schedulers can be optimized for further improvement, but do not generalize across different models and tasks.

Scaling law principles indicate a power-law correlation between loss and variables such as model size, dataset size, and computational resources utilized during training. These principles play a vital role in optimizing various aspects of model pre-training, ultimately contributing to the success of large language models such as GPT-4, Llama and Gemini. However, the original scaling law paper by OpenAI did not disclose the complete details necessary to derive the precise scaling law formulas, and their conclusions are only based on models containing up to 1.5 billion parameters. Though some subsequent works attempt to unveil these details and scale to larger models, they often neglect the training dependency of important factors such as the learning rate, context length and batch size, leading to their failure to establish a reliable formula for predicting the test loss trajectory. In this technical report, we confirm that the scaling law formulations proposed in the original OpenAI paper remain valid when scaling the model size up to 33 billion, but the constant coefficients in these formulas vary significantly with the experiment setup. We meticulously identify influential factors and provide transparent, step-by-step instructions to estimate all constant terms in scaling-law formulas by training on models with only 1M~60M parameters. Using these estimated formulas, we showcase the capability to accurately predict various attributes for models with up to 33B parameters before their training, including (1) the minimum possible test loss; (2) the minimum required training steps and processed tokens to achieve a specific loss; (3) the critical batch size with an optimal time/computation trade-off at any loss value; and (4) the complete test loss trajectory with arbitrary batch size.

Optimizing data mixtures for supervised fine-tuning (SFT) of large language models (LLMs) is critical for developing general-purpose models, yet this area remains underexplored. In this paper, we frame data mixing as an optimization problem and introduce a novel method designed to minimize validation loss. Our approach parametrizes the loss by modeling effective data transferred and leveraging scaling laws for fine-tuning. By experimenting with various small-scale data mixtures, we fit these parameters and derive the optimal weights. We provide both mathematical proofs and empirical results demonstrating that our algorithm achieves excellent overall and individual performance across all domains. Through controlled experiments, we show that models trained with our optimized weights perform on par with those using optimal weights determined via grid search, with per-domain loss only 0.66% higher than the best domain loss from grid search on average. Additionally, we show that reweighting popular SFT datasets using our method improves both validation loss and downstream performance. Finally, we discuss how our method can generalize to guide data selection for domain-specific models and provide insights into SFT.

Many NLP tasks such as tagging and machine reading comprehension are faced with the severe data imbalance issue: negative examples significantly outnumber positive examples, and the huge number of background examples (or easy-negative examples) overwhelms the training. The most commonly used cross entropy (CE) criteria is actually an accuracy-oriented objective, and thus creates a discrepancy between training and test: at training time, each training instance contributes equally to the objective function, while at test time F1 score concerns more about positive examples. In this paper, we propose to use dice loss in replacement of the standard cross-entropy objective for data-imbalanced NLP tasks. Dice loss is based on the Sorensen-Dice coefficient or Tversky index, which attaches similar importance to false positives and false negatives, and is more immune to the data-imbalance issue. To further alleviate the dominating influence from easy-negative examples in training, we propose to associate training examples with dynamically adjusted weights to deemphasize easy-negative examples.Theoretical analysis shows that this strategy narrows down the gap between the F1 score in evaluation and the dice loss in training. With the proposed training objective, we observe significant performance boost on a wide range of data imbalanced NLP tasks. Notably, we are able to achieve SOTA results on CTB5, CTB6 and UD1.4 for the part of speech tagging task; SOTA results on CoNLL03, OntoNotes5.0, MSRA and OntoNotes4.0 for the named entity recognition task; along with competitive results on the tasks of machine reading comprehension and paraphrase identification.

Machine learning models often have uneven performance among subpopulations (a.k.a., groups) in the data distributions. This poses a significant challenge for the models to generalize when the proportions of the groups shift during deployment. To improve robustness to such shifts, existing approaches have developed strategies that train models or perform hyperparameter tuning using the group-labeled data to minimize the worst-case loss over groups. However, a non-trivial amount of high-quality labels is often required to obtain noticeable improvements. Given the costliness of the labels, we propose to adopt a different paradigm to enhance group label efficiency: utilizing the group-labeled data as a target set to optimize the weights of other group-unlabeled data. We introduce Group-robust Sample Reweighting (GSR), a two-stage approach that first learns the representations from group-unlabeled data, and then tinkers the model by iteratively retraining its last layer on the reweighted data using influence functions. Our GSR is theoretically sound, practically lightweight, and effective in improving the robustness to subpopulation shifts. In particular, GSR outperforms the previous state-of-the-art approaches that require the same amount or even more group labels.

In dense retrieval, effective training hinges on selecting high quality hard negatives while avoiding false negatives. Recent methods apply heuristics based on positive document scores to identify hard negatives, improving both performance and interpretability. However, these global, example agnostic strategies often miss instance specific false negatives. To address this, we propose a learnable adapter module that monitors Bi-Encoder representations to estimate the likelihood that a hard negative is actually a false negative. This probability is modeled dynamically and contextually, enabling fine-grained, query specific judgments. The predicted scores are used in two downstream components: (1) resampling, where negatives are reweighted during training, and (2) reranking, where top-k retrieved documents are reordered at inference. Empirical results on standard benchmarks show that our adapter-enhanced framework consistently outperforms strong Bi-Encoder baselines, underscoring the benefit of explicit false negative modeling in dense retrieval.

Requiring 10^{13}-10^{15} FLOPs to calculate one 8 bit weight in an LLM during pretraining is extremely expensive and seems inefficient. To better leverage the huge investments made into pretrained models, we develop the new "Assembly-of-Experts" (AoE) construction method to create capable child variants of existing Mixture-of-Experts parent models in linear time. Model weight tensors get interpolated individually, allowing to enhance or suppress semantic features of the parents. Varying the proportion of weights taken from the parent models, we observe some properties of the AoE child model changing gradually, while other behavioral traits emerge with a sharp transition. Surprisingly, nearly every generated model is functional and capable, which makes searching the model space straightforward. We construct the DeepSeek R1T "Chimera", a 671B open-weights hybrid model combining DeepSeek's V3-0324 and R1 model variants. The child inherits only the routed expert tensors of R1, but still achieves about R1-level intelligence. At the same time, it uses about 40\% fewer output tokens, close to V3 speed. Constructed without any fine-tuning or distillation, the Chimera exhibits surprisingly compact, orderly reasoning compared to its parent models.

We consider a binary classification problem under group fairness constraints, which can be one of Demographic Parity (DP), Equalized Opportunity (EOp), or Equalized Odds (EO). We propose an explicit characterization of Bayes optimal classifier under the fairness constraints, which turns out to be a simple modification rule of the unconstrained classifier. Namely, we introduce a novel instance-level measure of bias, which we call bias score, and the modification rule is a simple linear rule on top of the finite amount of bias scores.Based on this characterization, we develop a post-hoc approach that allows us to adapt to fairness constraints while maintaining high accuracy. In the case of DP and EOp constraints, the modification rule is thresholding a single bias score, while in the case of EO constraints we are required to fit a linear modification rule with 2 parameters. The method can also be applied for composite group-fairness criteria, such as ones involving several sensitive attributes.

We develop task scaling laws and model ladders to predict the individual task performance of pretrained language models (LMs) in the overtrained setting. Standard power laws for language modeling loss cannot accurately model task performance. Therefore, we leverage a two-step prediction approach: first use model and data size to predict a task-specific loss, and then use this task loss to predict task performance. We train a set of small-scale "ladder" models, collect data points to fit the parameterized functions of the two prediction steps, and make predictions for two target models: a 7B model trained to 4T tokens and a 13B model trained to 5T tokens. Training the ladder models only costs 1% of the compute used for the target models. On four multiple-choice tasks written in ranked classification format, we can predict the accuracy of both target models within 2 points of absolute error. We have higher prediction error on four other tasks (average absolute error 6.9) and find that these are often tasks with higher variance in task metrics. We also find that using less compute to train fewer ladder models tends to deteriorate predictions. Finally, we empirically show that our design choices and the two-step approach lead to superior performance in establishing scaling laws.

We study the ranking of individuals, teams, or objects, based on pairwise comparisons between them, using the Bradley-Terry model. Estimates of rankings within this model are commonly made using a simple iterative algorithm first introduced by Zermelo almost a century ago. Here we describe an alternative and similarly simple iteration that provably returns identical results but does so much faster -- over a hundred times faster in some cases. We demonstrate this algorithm with applications to a range of example data sets and derive a number of results regarding its convergence.

The quality of foundation models depends heavily on their training data. Consequently, great efforts have been put into dataset curation. Yet most approaches rely on manual tuning of coarse-grained mixtures of large buckets of data, or filtering by hand-crafted heuristics. An approach that is ultimately more scalable (let alone more satisfying) is to learn which data is actually valuable for training. This type of meta-learning could allow more sophisticated, fine-grained, and effective curation. Our proposed DataRater is an instance of this idea. It estimates the value of training on any particular data point. This is done by meta-learning using `meta-gradients', with the objective of improving training efficiency on held out data. In extensive experiments across a range of model scales and datasets, we find that using our DataRater to filter data is highly effective, resulting in significantly improved compute efficiency.

In studies of transferable learning, scaling laws are obtained for various important foundation models to predict their properties and performance at larger scales. We show here how scaling law derivation can also be used for model and dataset comparison, allowing to decide which procedure is to be preferred for pre-training. For the first time, full scaling laws based on dense measurements across a wide span of model and samples seen scales are derived for two important language-vision learning procedures, CLIP and MaMMUT, that use either contrastive only or contrastive and captioning text generative loss. Ensuring sufficient prediction accuracy for held out points, we use derived scaling laws to compare both models, obtaining evidence for MaMMUT's stronger improvement with scale and better sample efficiency than standard CLIP. To strengthen validity of the comparison, we show scaling laws for various downstream tasks, classification, retrieval, and segmentation, and for different open datasets, DataComp, DFN and Re-LAION, observing consistently the same trends. We show that comparison can also be performed when deriving scaling laws with a constant learning rate schedule, reducing compute cost. Accurate derivation of scaling laws provides thus means to perform model and dataset comparison across scale spans, avoiding misleading conclusions based on measurements from single reference scales only, paving the road for systematic comparison and improvement of open foundation models and datasets for their creation. We release all the pre-trained models with their intermediate checkpoints, including openMaMMUT-L/14, which achieves 80.3% zero-shot ImageNet-1k accuracy, trained on 12.8B samples from DataComp-1.4B. Code for reproducing experiments in the paper and raw experiments data can be found at https://github.com/LAION-AI/scaling-laws-for-comparison.

Recognition problems in long-tailed data, in which the sample size per class is heavily skewed, have gained importance because the distribution of the sample size per class in a dataset is generally exponential unless the sample size is intentionally adjusted. Various methods have been devised to address these problems. Recently, weight balancing, which combines well-known classical regularization techniques with two-stage training, has been proposed. Despite its simplicity, it is known for its high performance compared with existing methods devised in various ways. However, there is a lack of understanding as to why this method is effective for long-tailed data. In this study, we analyze weight balancing by focusing on neural collapse and the cone effect at each training stage and found that it can be decomposed into an increase in Fisher's discriminant ratio of the feature extractor caused by weight decay and cross entropy loss and implicit logit adjustment caused by weight decay and class-balanced loss. Our analysis enables the training method to be further simplified by reducing the number of training stages to one while increasing accuracy.

Training large transformer models from scratch for a target task requires lots of data and is computationally demanding. The usual practice of transfer learning overcomes this challenge by initializing the model with weights of a pretrained model of the same size and specification to increase the convergence and training speed. However, what if no pretrained model of the required size is available? In this paper, we introduce a simple yet effective technique to transfer the knowledge of a pretrained model to smaller variants. Our approach called weight subcloning expedites the training of scaled-down transformers by initializing their weights from larger pretrained models. Weight subcloning involves an operation on the pretrained model to obtain the equivalent initialized scaled-down model. It consists of two key steps: first, we introduce neuron importance ranking to decrease the embedding dimension per layer in the pretrained model. Then, we remove blocks from the transformer model to match the number of layers in the scaled-down network. The result is a network ready to undergo training, which gains significant improvements in training speed compared to random initialization. For instance, we achieve 4x faster training for vision transformers in image classification and language models designed for next token prediction.

Large Language Models (LLMs) have demonstrated remarkable capabilities across diverse domains, but their training remains resource- and time-intensive, requiring massive compute power and careful orchestration of training procedures. Model souping-the practice of averaging weights from multiple models of the same architecture-has emerged as a promising pre- and post-training technique that can enhance performance without expensive retraining. In this paper, we introduce Soup Of Category Experts (SoCE), a principled approach for model souping that utilizes benchmark composition to identify optimal model candidates and applies non-uniform weighted averaging to maximize performance. Contrary to previous uniform-averaging approaches, our method leverages the observation that benchmark categories often exhibit low inter-correlations in model performance. SoCE identifies "expert" models for each weakly-correlated category cluster and combines them using optimized weighted averaging rather than uniform weights. We demonstrate that the proposed method improves performance and robustness across multiple domains, including multilingual capabilities, tool calling, and math and achieves state-of-the-art results on the Berkeley Function Calling Leaderboard.

In recent years, a variety of gradient-based first-order methods have been developed to solve bi-level optimization problems for learning applications. However, theoretical guarantees of these existing approaches heavily rely on the simplification that for each fixed upper-level variable, the lower-level solution must be a singleton (a.k.a., Lower-Level Singleton, LLS). In this work, we first design a counter-example to illustrate the invalidation of such LLS condition. Then by formulating BLPs from the view point of optimistic bi-level and aggregating hierarchical objective information, we establish Bi-level Descent Aggregation (BDA), a flexible and modularized algorithmic framework for generic bi-level optimization. Theoretically, we derive a new methodology to prove the convergence of BDA without the LLS condition. Our investigations also demonstrate that BDA is indeed compatible to a verify of particular first-order computation modules. Additionally, as an interesting byproduct, we also improve these conventional first-order bi-level schemes (under the LLS simplification). Particularly, we establish their convergences with weaker assumptions. Extensive experiments justify our theoretical results and demonstrate the superiority of the proposed BDA for different tasks, including hyper-parameter optimization and meta learning.

A major goal of unsupervised learning is to discover data representations that are useful for subsequent tasks, without access to supervised labels during training. Typically, this involves minimizing a surrogate objective, such as the negative log likelihood of a generative model, with the hope that representations useful for subsequent tasks will arise as a side effect. In this work, we propose instead to directly target later desired tasks by meta-learning an unsupervised learning rule which leads to representations useful for those tasks. Specifically, we target semi-supervised classification performance, and we meta-learn an algorithm -- an unsupervised weight update rule -- that produces representations useful for this task. Additionally, we constrain our unsupervised update rule to a be a biologically-motivated, neuron-local function, which enables it to generalize to different neural network architectures, datasets, and data modalities. We show that the meta-learned update rule produces useful features and sometimes outperforms existing unsupervised learning techniques. We further show that the meta-learned unsupervised update rule generalizes to train networks with different widths, depths, and nonlinearities. It also generalizes to train on data with randomly permuted input dimensions and even generalizes from image datasets to a text task.

Every data selection method inherently has a target. In practice, these targets often emerge implicitly through benchmark-driven iteration: researchers develop selection strategies, train models, measure benchmark performance, then refine accordingly. This raises a natural question: what happens when we make this optimization explicit? To explore this, we propose benchmark-targeted ranking (BETR), a simple method that selects pretraining documents based on similarity to benchmark training examples. BETR embeds benchmark examples and a sample of pretraining documents in a shared space, scores this sample by similarity to benchmarks, then trains a lightweight classifier to predict these scores for the full corpus. We compare data selection methods by training over 500 models spanning 10^{19} to 10^{22} FLOPs and fitting scaling laws to them. From this, we find that simply aligning pretraining data to evaluation benchmarks using BETR achieves a 2.1x compute multiplier over DCLM-Baseline (4.7x over unfiltered data) and improves performance on 9 out of 10 tasks across all scales. BETR also generalizes well: when targeting a diverse set of benchmarks disjoint from our evaluation suite, it still matches or outperforms baselines. Our scaling analysis further reveals a clear trend: larger models require less aggressive filtering. Overall, our findings show that directly matching pretraining data to target tasks precisely shapes model capabilities and highlight that optimal selection strategies must adapt to model scale.

Large Language Models (LLMs) have exhibited remarkable proficiency across a wide array of NLP tasks. However, the escalation in model size also engenders substantial deployment costs. While few efforts have explored model pruning techniques to reduce the size of LLMs, they mainly center on general or task-specific weights. This leads to suboptimal performance due to lacking specificity on the target domain or generality on different tasks when applied to domain-specific challenges. This work introduces an innovative unstructured dual-pruning methodology, D-Pruner, for domain-specific compression on LLM. It extracts a compressed, domain-specific, and task-agnostic LLM by identifying LLM weights that are pivotal for general capabilities, like linguistic capability and multi-task solving, and domain-specific knowledge. More specifically, we first assess general weight importance by quantifying the error incurred upon their removal with the help of an open-domain calibration dataset. Then, we utilize this general weight importance to refine the training loss, so that it preserves generality when fitting into a specific domain. Moreover, by efficiently approximating weight importance with the refined training loss on a domain-specific calibration dataset, we obtain a pruned model emphasizing generality and specificity. Our comprehensive experiments across various tasks in healthcare and legal domains show the effectiveness of D-Pruner in domain-specific compression. Our code is available at https://github.com/psunlpgroup/D-Pruner.

Instance-level image classification tasks have traditionally relied on single-instance labels to train models, e.g., few-shot learning and transfer learning. However, set-level coarse-grained labels that capture relationships among instances can provide richer information in real-world scenarios. In this paper, we present a novel approach to enhance instance-level image classification by leveraging set-level labels. We provide a theoretical analysis of the proposed method, including recognition conditions for fast excess risk rate, shedding light on the theoretical foundations of our approach. We conducted experiments on two distinct categories of datasets: natural image datasets and histopathology image datasets. Our experimental results demonstrate the effectiveness of our approach, showcasing improved classification performance compared to traditional single-instance label-based methods. Notably, our algorithm achieves 13% improvement in classification accuracy compared to the strongest baseline on the histopathology image classification benchmarks. Importantly, our experimental findings align with the theoretical analysis, reinforcing the robustness and reliability of our proposed method. This work bridges the gap between instance-level and set-level image classification, offering a promising avenue for advancing the capabilities of image classification models with set-level coarse-grained labels.

Instance-specific algorithm configuration and algorithm portfolios have been shown to offer significant improvements over single algorithm approaches in a variety of application domains. In the SAT and CSP domains algorithm portfolios have consistently dominated the main competitions in these fields for the past five years. For a portfolio approach to be effective there are two crucial conditions that must be met. First, there needs to be a collection of complementary solvers with which to make a portfolio. Second, there must be a collection of problem features that can accurately identify structural differences between instances. This paper focuses on the latter issue: feature representation, because, unlike SAT, not every problem has well-studied features. We employ the well-known SATzilla feature set, but compute alternative sets on different SAT encodings of CSPs. We show that regardless of what encoding is used to convert the instances, adequate structural information is maintained to differentiate between problem instances, and that this can be exploited to make an effective portfolio-based CSP solver.

Generative models, with their success in image and video generation, have recently been explored for synthesizing effective neural network weights. These approaches take trained neural network checkpoints as training data, and aim to generate high-performing neural network weights during inference. In this work, we examine four representative methods on their ability to generate novel model weights, i.e., weights that are different from the checkpoints seen during training. Surprisingly, we find that these methods synthesize weights largely by memorization: they produce either replicas, or at best simple interpolations, of the training checkpoints. Current methods fail to outperform simple baselines, such as adding noise to the weights or taking a simple weight ensemble, in obtaining different and simultaneously high-performing models. We further show that this memorization cannot be effectively mitigated by modifying modeling factors commonly associated with memorization in image diffusion models, or applying data augmentations. Our findings provide a realistic assessment of what types of data current generative models can model, and highlight the need for more careful evaluation of generative models in new domains. Our code is available at https://github.com/boyazeng/weight_memorization.

The prohibitive cost of evaluating large language models (LLMs) on comprehensive benchmarks necessitates the creation of small yet representative data subsets (i.e., tiny benchmarks) that enable efficient assessment while retaining predictive fidelity. Current methods for this task operate under a model-centric paradigm, selecting benchmarking items based on the collective performance of existing models. Such approaches are limited by large upfront costs, an inability to immediately handle new benchmarks (`cold-start'), and the fragile assumption that future models will share the failure patterns of their predecessors. In this work, we challenge this paradigm and propose a item-centric approach to benchmark subset selection, arguing that selection should be based on the intrinsic properties of the task items themselves, rather than on model-specific failure patterns. We instantiate this item-centric efficient benchmarking approach via a novel method, Scales++, where data selection is based on the cognitive demands of the benchmark samples. Empirically, we show Scales++ reduces the upfront selection cost by over 18x while achieving competitive predictive fidelity. On the Open LLM Leaderboard, using just a 0.5\% data subset, we predict full benchmark scores with a 2.9% mean absolute error. We demonstrate that this item-centric approach enables more efficient model evaluation without significant fidelity degradation, while also providing better cold-start performance and more interpretable benchmarking.

Recent advances in one-step generative models typically follow a two-stage process: first training a teacher diffusion model and then distilling it into a one-step student model. This distillation process traditionally relies on both the teacher model's score function to compute the distillation loss and its weights for student initialization. In this paper, we explore whether one-step generative models can be trained directly without this distillation process. First, we show that the teacher's score function is not essential and propose a family of distillation methods that achieve competitive results without relying on score estimation. Next, we demonstrate that initialization from teacher weights is indispensable in successful training. Surprisingly, we find that this benefit is not due to improved ``input-output" mapping but rather the learned feature representations, which dominate distillation quality. Our findings provide a better understanding of the role of initialization in one-step model training and its impact on distillation quality.