Daily Papers

Learning causal graphs from multivariate time series is a ubiquitous challenge in all application domains dealing with time-dependent systems, such as in Earth sciences, biology, or engineering, to name a few. Recent developments for this causal discovery learning task have shown considerable skill, notably the specific time-series adaptations of the popular conditional independence-based learning framework. However, uncertainty estimation is challenging for conditional independence-based methods. Here, we introduce a novel bootstrap approach designed for time series causal discovery that preserves the temporal dependencies and lag structure. It can be combined with a range of time series causal discovery methods and provides a measure of confidence for the links of the time series graphs. Furthermore, next to confidence estimation, an aggregation, also called bagging, of the bootstrapped graphs by majority voting results in bagged causal discovery methods. In this work, we combine this approach with the state-of-the-art conditional-independence-based algorithm PCMCI+. With extensive numerical experiments we empirically demonstrate that, in addition to providing confidence measures for links, Bagged-PCMCI+ improves in precision and recall as compared to its base algorithm PCMCI+, at the cost of higher computational demands. These statistical performance improvements are especially pronounced in the more challenging settings (short time sample size, large number of variables, high autocorrelation). Our bootstrap approach can also be combined with other time series causal discovery algorithms and can be of considerable use in many real-world applications.

Benchmarks of machine learning models often include many datasets, making evaluation expensive. For efficiency, it is preferable to perform evaluations on small, representative datasets instead. The selection of such subsets typically relies on heuristics and is rarely analyzed for the robustness of the resulting model rankings. We introduce a framework to perform the task of selecting datasets subsets with an evaluation of how different selection strategies preserve the global model rankings. Our framework includes bootstrap aggregation, which provides valid confidence intervals, allowing a principled comparison of selection strategies. We consider clustering, design criteria (A/D-optimality), random baselines, and greedy farthest-first (FAFI). For the latter, we derive upper bounds on selection quality in terms of ranking errors as a function of the number of selected datasets. Empirically, in time series classification (TSC, 112 datasets) and in a supplementary natural language processing benchmark derived from MTEB (57 tasks), several selection strategies improve rank preservation compared with random subsets, including simple FAFI. In contrast, in recommender systems (30 datasets), the improvement of strategies over random selection is small and typically statistically insignificant. For TSC, our best-performing strategy achieves a Spearman correlation of 0.95 with the full benchmark model rankings using only five selected datasets. Additional experiments indicate that the effectiveness of selection approaches depends on both the quality of dataset representations and the scale of the benchmarking regime.

Evaluating Computer Use Agents (CUAs) on interactive environments is fraught with methodological pitfalls that the field has yet to systematically address. We show that a 1MB replay script that blindly executes a recorded action sequence without ever observing the screen outperforms frontier models on prominent static benchmarks, and prove that its expected success rate is exactly equal to the source agent's pass@k in deterministic environments. We trace this and other failures to two root causes: non-principled environment design (static, unsandboxed, or unreliably verified environments) and non-principled evaluation methodology (naive aggregation and misuse of pass@k for stateful UI interactions). To address the first, we propose PRISM, five design principles for CUA environments (privileged verification, realistic environments, integrity-checked configurations, sandboxed execution, and multifactorial variability) and instantiate them in DigiWorld, a benchmark of 15 realistic sandboxed mobile applications able to evaluate agents in over 3.2 million verified unique configurations. To address the second, we develop an aggregation framework pairing Wilson score intervals with hierarchical bootstrap, producing confidence intervals that correctly account for the nested structure of CUA benchmarks, as we empirically demonstrate. All together, we show that principled environment design and rigorous evaluation methodology are not optional refinements but prerequisites for meaningful CUA research.

Bootstrap aggregating (bagging) is an effective ensemble protocol, which is believed can enhance robustness by its majority voting mechanism. Recent works further prove the sample-wise robustness certificates for certain forms of bagging (e.g. partition aggregation). Beyond these particular forms, in this paper, we propose the first collective certification for general bagging to compute the tight robustness against the global poisoning attack. Specifically, we compute the maximum number of simultaneously changed predictions via solving a binary integer linear programming (BILP) problem. Then we analyze the robustness of vanilla bagging and give the upper bound of the tolerable poison budget. Based on this analysis, we propose hash bagging to improve the robustness of vanilla bagging almost for free. This is achieved by modifying the random subsampling in vanilla bagging to a hash-based deterministic subsampling, as a way of controlling the influence scope for each poisoning sample universally. Our extensive experiments show the notable advantage in terms of applicability and robustness.

The bootstrap is a popular data-driven method to quantify statistical uncertainty, but for modern high-dimensional problems, it could suffer from huge computational costs due to the need to repeatedly generate resamples and refit models. We study the use of bootstraps in high-dimensional environments with a small number of resamples. In particular, we show that with a recent "cheap" bootstrap perspective, using a number of resamples as small as one could attain valid coverage even when the dimension grows closely with the sample size, thus strongly supporting the implementability of the bootstrap for large-scale problems. We validate our theoretical results and compare the performance of our approach with other benchmarks via a range of experiments.

The correct use of model evaluation, model selection, and algorithm selection techniques is vital in academic machine learning research as well as in many industrial settings. This article reviews different techniques that can be used for each of these three subtasks and discusses the main advantages and disadvantages of each technique with references to theoretical and empirical studies. Further, recommendations are given to encourage best yet feasible practices in research and applications of machine learning. Common methods such as the holdout method for model evaluation and selection are covered, which are not recommended when working with small datasets. Different flavors of the bootstrap technique are introduced for estimating the uncertainty of performance estimates, as an alternative to confidence intervals via normal approximation if bootstrapping is computationally feasible. Common cross-validation techniques such as leave-one-out cross-validation and k-fold cross-validation are reviewed, the bias-variance trade-off for choosing k is discussed, and practical tips for the optimal choice of k are given based on empirical evidence. Different statistical tests for algorithm comparisons are presented, and strategies for dealing with multiple comparisons such as omnibus tests and multiple-comparison corrections are discussed. Finally, alternative methods for algorithm selection, such as the combined F-test 5x2 cross-validation and nested cross-validation, are recommended for comparing machine learning algorithms when datasets are small.

This paper introduces a structural equation formulation that gives rise to a new family of quasi-periodic Gaussian processes, useful to process a broad class of natural and physiological signals. The proposed formulation simplifies generation and forecasting, and provides hyperparameter estimates, which we exploit in a convergent and consistent iterative estimation algorithm. A bootstrap approach for standard error estimation and confidence intervals is also provided. We demonstrate the computational and scaling benefits of the proposed approach on a broad class of problems, including water level tidal analysis, CO_{2} emission data, and sunspot numbers data. By leveraging the structural equations, our method reduces the cost of likelihood evaluations and predictions from O(k^2 p^2) to O(p^2), significantly improving scalability.

We study the problem of optimizing biological sequences, e.g., proteins, DNA, and RNA, to maximize a black-box score function that is only evaluated in an offline dataset. We propose a novel solution, bootstrapped training of score-conditioned generator (BootGen) algorithm. Our algorithm repeats a two-stage process. In the first stage, our algorithm trains the biological sequence generator with rank-based weights to enhance the accuracy of sequence generation based on high scores. The subsequent stage involves bootstrapping, which augments the training dataset with self-generated data labeled by a proxy score function. Our key idea is to align the score-based generation with a proxy score function, which distills the knowledge of the proxy score function to the generator. After training, we aggregate samples from multiple bootstrapped generators and proxies to produce a diverse design. Extensive experiments show that our method outperforms competitive baselines on biological sequential design tasks. We provide reproducible source code: https://github.com/kaist-silab/bootgen{https://github.com/kaist-silab/bootgen}.

Assessing sampling uncertainty in extremum estimation can be challenging when the asymptotic variance is not analytically tractable. Bootstrap inference offers a feasible solution but can be computationally costly especially when the model is complex. This paper uses iterates of a specially designed stochastic optimization algorithm as draws from which both point estimates and bootstrap standard errors can be computed in a single run. The draws are generated by the gradient and Hessian computed from batches of data that are resampled at each iteration. We show that these draws yield consistent estimates and asymptotically valid frequentist inference for a large class of regular problems. The algorithm provides accurate standard errors in simulation examples and empirical applications at low computational costs. The draws from the algorithm also provide a convenient way to detect data irregularities.

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.

We explore a key architectural aspect of deep convolutional neural networks: the pattern of internal skip connections used to aggregate outputs of earlier layers for consumption by deeper layers. Such aggregation is critical to facilitate training of very deep networks in an end-to-end manner. This is a primary reason for the widespread adoption of residual networks, which aggregate outputs via cumulative summation. While subsequent works investigate alternative aggregation operations (e.g. concatenation), we focus on an orthogonal question: which outputs to aggregate at a particular point in the network. We propose a new internal connection structure which aggregates only a sparse set of previous outputs at any given depth. Our experiments demonstrate this simple design change offers superior performance with fewer parameters and lower computational requirements. Moreover, we show that sparse aggregation allows networks to scale more robustly to 1000+ layers, thereby opening future avenues for training long-running visual processes.

We study simplified bootstrap problems for probability distributions on the infinite line and the circle. We show that the rapid convergence of the bootstrap method for problems on the infinite line is related to the fact that the smallest eigenvalue of the positive matrices in the exact solution becomes exponentially small for large matrices, while the moments grow factorially. As a result, the positivity condition is very finely tuned. For problems on the circle we show instead that the entries of the positive matrix of Fourier modes of the distribution depend linearly on the initial data of the recursion, with factorially growing coefficients. By positivity, these matrix elements are bounded in absolute value by one, so the initial data must also be fine-tuned. Additionally, we find that we can largely bypass the semi-definite program (SDP) nature of the problem on a circle by recognizing that these Fourier modes must be asymptotically exponentially small. With a simple ansatz, which we call the shoestring bootstrap, we can efficiently identify an interior point of the set of allowed matrices with much higher precision than conventional SDP bounds permit. We apply this method to solving unitary matrix model integrals by numerically constructing the orthogonal polynomials associated with the circle distribution.

We use tools from geometric statistics to analyze the usual estimation procedure of a template shape. This applies to shapes from landmarks, curves, surfaces, images etc. We demonstrate the asymptotic bias of the template shape estimation using the stratified geometry of the shape space. We give a Taylor expansion of the bias with respect to a parameter sigma describing the measurement error on the data. We propose two bootstrap procedures that quantify the bias and correct it, if needed. They are applicable for any type of shape data. We give a rule of thumb to provide intuition on whether the bias has to be corrected. This exhibits the parameters that control the bias' magnitude. We illustrate our results on simulated and real shape data.

Experiments with pre-trained models such as BERT are often based on a single checkpoint. While the conclusions drawn apply to the artifact tested in the experiment (i.e., the particular instance of the model), it is not always clear whether they hold for the more general procedure which includes the architecture, training data, initialization scheme, and loss function. Recent work has shown that repeating the pre-training process can lead to substantially different performance, suggesting that an alternate strategy is needed to make principled statements about procedures. To enable researchers to draw more robust conclusions, we introduce the MultiBERTs, a set of 25 BERT-Base checkpoints, trained with similar hyper-parameters as the original BERT model but differing in random weight initialization and shuffling of training data. We also define the Multi-Bootstrap, a non-parametric bootstrap method for statistical inference designed for settings where there are multiple pre-trained models and limited test data. To illustrate our approach, we present a case study of gender bias in coreference resolution, in which the Multi-Bootstrap lets us measure effects that may not be detected with a single checkpoint. We release our models and statistical library along with an additional set of 140 intermediate checkpoints captured during pre-training to facilitate research on learning dynamics.

Building on the probability-domain distillation framework of Sparse-KD, we develop an axiomatic, operator-theoretic framework for multi-teacher ensemble knowledge distillation. Rather than prescribing a specific aggregation formula, we define five core axioms governing valid knowledge aggregation operators, encompassing convexity, positivity, continuity, weight monotonicity, and temperature coherence. We prove the existence and non-uniqueness of operator families satisfying these axioms, establishing that multiple distinct aggregation mechanisms conform to the same foundational principles. Within this framework, we establish operator-agnostic guarantees showing that multi-teacher aggregation reduces both stochastic variance and systematic supervisory bias under heterogeneous teachers, while providing Jensen-type bounds, log-loss guarantees, and safety attenuation properties. For aggregation operators linear in teacher weights, we further establish classical ensemble variance-reduction results under standard independence assumptions, with extensions to correlated-error regimes. The framework provides theoretical grounding for multi-teacher distillation from diverse frontier models while admitting multiple valid implementation strategies.

We study the conformal bootstrap of 1D CFTs on the straight Maldacena-Wilson line in 4D {cal N}=4 super-Yang-Mills theory. We introduce an improved truncation scheme with an 'OPE tail' approximation and use it to reproduce the 'bootstrability' results of Cavagli\`a et al. for the OPE-coefficients squared of the first three unprotected operators. For example, for the first OPE-coefficient squared at 't Hooft coupling (4pi)^2, linear-functional methods with two sum rules from integrated correlators give the rigorous result 0.294014873 pm 4.88 cdot 10^{-8}, whereas our methods give with machine-precision computations 0.294014228 pm 6.77 cdot 10^{-7}. For our numerical searches, we benchmark the Reinforcement Learning Soft Actor-Critic algorithm against an Interior Point Method algorithm (IPOPT) and comment on the merits of each algorithm.

Modern ML applications increasingly rely on complex deep learning models and large datasets. There has been an exponential growth in the amount of computation needed to train the largest models. Therefore, to scale computation and data, these models are inevitably trained in a distributed manner in clusters of nodes, and their updates are aggregated before being applied to the model. However, a distributed setup is prone to Byzantine failures of individual nodes, components, and software. With data augmentation added to these settings, there is a critical need for robust and efficient aggregation systems. We define the quality of workers as reconstruction ratios in (0,1], and formulate aggregation as a Maximum Likelihood Estimation procedure using Beta densities. We show that the Regularized form of log-likelihood wrt subspace can be approximately solved using iterative least squares solver, and provide convergence guarantees using recent Convex Optimization landscape results. Our empirical findings demonstrate that our approach significantly enhances the robustness of state-of-the-art Byzantine resilient aggregators. We evaluate our method in a distributed setup with a parameter server, and show simultaneous improvements in communication efficiency and accuracy across various tasks. The code is publicly available at https://github.com/hamidralmasi/FlagAggregator

Prediction markets are used in real life to predict outcomes of interest such as presidential elections. This paper presents a mathematical theory of artificial prediction markets for supervised learning of conditional probability estimators. The artificial prediction market is a novel method for fusing the prediction information of features or trained classifiers, where the fusion result is the contract price on the possible outcomes. The market can be trained online by updating the participants' budgets using training examples. Inspired by the real prediction markets, the equations that govern the market are derived from simple and reasonable assumptions. Efficient numerical algorithms are presented for solving these equations. The obtained artificial prediction market is shown to be a maximum likelihood estimator. It generalizes linear aggregation, existent in boosting and random forest, as well as logistic regression and some kernel methods. Furthermore, the market mechanism allows the aggregation of specialized classifiers that participate only on specific instances. Experimental comparisons show that the artificial prediction markets often outperform random forest and implicit online learning on synthetic data and real UCI datasets. Moreover, an extensive evaluation for pelvic and abdominal lymph node detection in CT data shows that the prediction market improves adaboost's detection rate from 79.6% to 81.2% at 3 false positives/volume.

Spectral clustering is a leading clustering method. Two of its major shortcomings are the disjoint optimization process and the limited representation capacity. To address these issues, we propose a deep spectral clustering model (named BootSC), which jointly learns all stages of spectral clustering -- affinity matrix construction, spectral embedding, and k-means clustering -- using a single network in an end-to-end manner. BootSC leverages effective and efficient optimal-transport-derived supervision to bootstrap the affinity matrix and the cluster assignment matrix. Moreover, a semantically-consistent orthogonal re-parameterization technique is introduced to orthogonalize spectral embeddings, significantly enhancing the discrimination capability. Experimental results indicate that BootSC achieves state-of-the-art clustering performance. For example, it accomplishes a notable 16\% NMI improvement over the runner-up method on the challenging ImageNet-Dogs dataset. Our code is available at https://github.com/spdj2271/BootSC.

Tabular data, a fundamental data format in machine learning, is predominantly utilized in competitions and real-world applications. The performance of tabular models--such as gradient boosted decision trees and neural networks--can vary significantly across datasets due to differences in feature distributions and task characteristics. Achieving top performance on each dataset often requires specialized expert knowledge. To address this variability, practitioners often aggregate the predictions of multiple models. However, conventional aggregation strategies typically rely on static combination rules and lack instance-level adaptability. In this work, we propose an in-context ensemble framework for tabular prediction that leverages large language models (LLMs) to perform dynamic, instance-specific integration of external model predictions. Without access to raw tabular features or semantic information, our method constructs a context around each test instance using its nearest neighbors and the predictions from a pool of external models. Within this enriched context, we introduce Chain of Tabular Thoughts (CoT^2), a prompting strategy that guides LLMs through multi-step, interpretable reasoning, making still further progress toward expert-level decision-making. Experimental results show that our method outperforms well-tuned baselines and standard ensemble techniques across a wide range of tabular datasets.

Monitoring machine learning models once they are deployed is challenging. It is even more challenging to decide when to retrain models in real-case scenarios when labeled data is beyond reach, and monitoring performance metrics becomes unfeasible. In this work, we use non-parametric bootstrapped uncertainty estimates and SHAP values to provide explainable uncertainty estimation as a technique that aims to monitor the deterioration of machine learning models in deployment environments, as well as determine the source of model deterioration when target labels are not available. Classical methods are purely aimed at detecting distribution shift, which can lead to false positives in the sense that the model has not deteriorated despite a shift in the data distribution. To estimate model uncertainty we construct prediction intervals using a novel bootstrap method, which improves upon the work of Kumar & Srivastava (2012). We show that both our model deterioration detection system as well as our uncertainty estimation method achieve better performance than the current state-of-the-art. Finally, we use explainable AI techniques to gain an understanding of the drivers of model deterioration. We release an open source Python package, doubt, which implements our proposed methods, as well as the code used to reproduce our experiments.

Despite progress in image tokenization, standard methods encode redundant information by mixing all granularities within each token, thus redundancy persists between tokens. The mix of information of different granularity also complicates the training of generators. This paper introduces SelfBootTok, a method that resolves this by cleanly decomposing information into global and local token groups. Through self-bootstrapped learning, the model predicts local details exclusively from global tokens, shifting the burden of visual details from the generator to the tokenizer. Consequently, our generator is far more efficient, requiring only global tokens and reducing computation by approximately 40%, while delivering superior reconstruction and generation. Moreover, this paradigm scales elegantly: by leveraging more data or parameters to self-supervise local representation learning, SelfBootTok achieves a new state-of-the-art gFID score of 1.56 using only 64 tokens.

In natural language processing, a recently popular line of work explores how to best report the experimental results of neural networks. One exemplar publication, titled "Show Your Work: Improved Reporting of Experimental Results," advocates for reporting the expected validation effectiveness of the best-tuned model, with respect to the computational budget. In the present work, we critically examine this paper. As far as statistical generalizability is concerned, we find unspoken pitfalls and caveats with this approach. We analytically show that their estimator is biased and uses error-prone assumptions. We find that the estimator favors negative errors and yields poor bootstrapped confidence intervals. We derive an unbiased alternative and bolster our claims with empirical evidence from statistical simulation. Our codebase is at http://github.com/castorini/meanmax.

Accurate blind docking has the potential to lead to new biological breakthroughs, but for this promise to be realized, docking methods must generalize well across the proteome. Existing benchmarks, however, fail to rigorously assess generalizability. Therefore, we develop DockGen, a new benchmark based on the ligand-binding domains of proteins, and we show that existing machine learning-based docking models have very weak generalization abilities. We carefully analyze the scaling laws of ML-based docking and show that, by scaling data and model size, as well as integrating synthetic data strategies, we are able to significantly increase the generalization capacity and set new state-of-the-art performance across benchmarks. Further, we propose Confidence Bootstrapping, a new training paradigm that solely relies on the interaction between diffusion and confidence models and exploits the multi-resolution generation process of diffusion models. We demonstrate that Confidence Bootstrapping significantly improves the ability of ML-based docking methods to dock to unseen protein classes, edging closer to accurate and generalizable blind docking methods.

Self-supervised learning provides a promising path towards eliminating the need for costly label information in representation learning on graphs. However, to achieve state-of-the-art performance, methods often need large numbers of negative examples and rely on complex augmentations. This can be prohibitively expensive, especially for large graphs. To address these challenges, we introduce Bootstrapped Graph Latents (BGRL) - a graph representation learning method that learns by predicting alternative augmentations of the input. BGRL uses only simple augmentations and alleviates the need for contrasting with negative examples, and is thus scalable by design. BGRL outperforms or matches prior methods on several established benchmarks, while achieving a 2-10x reduction in memory costs. Furthermore, we show that BGRL can be scaled up to extremely large graphs with hundreds of millions of nodes in the semi-supervised regime - achieving state-of-the-art performance and improving over supervised baselines where representations are shaped only through label information. In particular, our solution centered on BGRL constituted one of the winning entries to the Open Graph Benchmark - Large Scale Challenge at KDD Cup 2021, on a graph orders of magnitudes larger than all previously available benchmarks, thus demonstrating the scalability and effectiveness of our approach.

Open-vocabulary semantic segmentation is a challenging task that requires segmenting novel object categories at inference time. Recent studies have explored vision-language pre-training to handle this task, but suffer from unrealistic assumptions in practical scenarios, i.e., low-quality textual category names. For example, this paradigm assumes that new textual categories will be accurately and completely provided, and exist in lexicons during pre-training. However, exceptions often happen when encountering ambiguity for brief or incomplete names, new words that are not present in the pre-trained lexicons, and difficult-to-describe categories for users. To address these issues, this work proposes a novel attribute decomposition-aggregation framework, AttrSeg, inspired by human cognition in understanding new concepts. Specifically, in the decomposition stage, we decouple class names into diverse attribute descriptions to complement semantic contexts from multiple perspectives. Two attribute construction strategies are designed: using large language models for common categories, and involving manually labeling for human-invented categories. In the aggregation stage, we group diverse attributes into an integrated global description, to form a discriminative classifier that distinguishes the target object from others. One hierarchical aggregation architecture is further proposed to achieve multi-level aggregations, leveraging the meticulously designed clustering module. The final results are obtained by computing the similarity between aggregated attributes and images embeddings. To evaluate the effectiveness, we annotate three types of datasets with attribute descriptions, and conduct extensive experiments and ablation studies. The results show the superior performance of attribute decomposition-aggregation.

Self-alignment is an effective way to reduce the cost of human annotation while ensuring promising model capability. However, most current methods complete the data collection and training steps in a single round, which may overlook the continuously improving ability of self-aligned models. This gives rise to a key query: What if we do multi-time bootstrapping self-alignment? Does this strategy enhance model performance or lead to rapid degradation? In this paper, our pioneering exploration delves into the impact of bootstrapping self-alignment on large language models. Our findings reveal that bootstrapping self-alignment markedly surpasses the single-round approach, by guaranteeing data diversity from in-context learning. To further exploit the capabilities of bootstrapping, we investigate and adjust the training order of data, which yields improved performance of the model. Drawing on these findings, we propose Step-On-Feet Tuning (SOFT) which leverages model's continuously enhanced few-shot ability to boost zero or one-shot performance. Based on easy-to-hard training recipe, we propose SOFT+ which further boost self-alignment's performance. Our experiments demonstrate the efficiency of SOFT (SOFT+) across various classification and generation tasks, highlighting the potential of bootstrapping self-alignment on continually enhancing model alignment performance.

Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features - which occur regularly in real-world input domains and within the hidden layers of GNNs - and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work, we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.

Ensembling is among the most popular tools in machine learning (ML) due to its effectiveness in minimizing variance and thus improving generalization. Most ensembling methods for black-box base learners fall under the umbrella of "stacked generalization," namely training an ML algorithm that takes the inferences from the base learners as input. While stacking has been widely applied in practice, its theoretical properties are poorly understood. In this paper, we prove a novel result, showing that choosing the best stacked generalization from a (finite or finite-dimensional) family of stacked generalizations based on cross-validated performance does not perform "much worse" than the oracle best. Our result strengthens and significantly extends the results in Van der Laan et al. (2007). Inspired by the theoretical analysis, we further propose a particular family of stacked generalizations in the context of probabilistic forecasting, each one with a different sensitivity for how much the ensemble weights are allowed to vary across items, timestamps in the forecast horizon, and quantiles. Experimental results demonstrate the performance gain of the proposed method.

This paper argues for the widest possible use of bootstrap confidence intervals for comparing NLP system performances instead of the state-of-the-art status (SOTA) and statistical significance testing. Their main benefits are to draw attention to the difference in performance between two systems and to help assessing the degree of superiority of one system over another. Two cases studies, one comparing several systems and the other based on a K-fold cross-validation procedure, illustrate these benefits. A python module for obtaining these confidence intervals as well as a second function implementing the Fisher-Pitman test for paired samples are freely available on PyPi.

We study numerically the 6D (2,0) superconformal bootstrap using the soft-Actor-Critic (SAC) algorithm as a stochastic optimizer. We focus on the four-point functions of scalar superconformal primaries in the energy-momentum multiplet. Starting from the supergravity limit, we perform searches for adiabatically varied central charges and derive two curves for a collection of 80 CFT data (70 of these data correspond to unprotected long multiplets and 10 to protected short multiplets). We conjecture that the two curves capture the A- and D-series (2,0) theories. Our results are competitive when compared to the existing bounds coming from standard numerical bootstrap methods, and data obtained using the OPE inversion formula. With this paper we are also releasing our Python implementation of the SAC algorithm, BootSTOP. The paper discusses the main functionality features of this package.

Despite the great interest in the bandit problem, designing efficient algorithms for complex models remains challenging, as there is typically no analytical way to quantify uncertainty. In this paper, we propose Multiplier Bootstrap-based Exploration (MBE), a novel exploration strategy that is applicable to any reward model amenable to weighted loss minimization. We prove both instance-dependent and instance-independent rate-optimal regret bounds for MBE in sub-Gaussian multi-armed bandits. With extensive simulation and real data experiments, we show the generality and adaptivity of MBE.

Reliable uncertainty quantification remains a central challenge in predictive modeling. While Bayesian methods are theoretically appealing, their predictive intervals can exhibit poor frequentist calibration, particularly with small sample sizes or model misspecification. We introduce a practical and broadly applicable Bayesian conformal approach based on the influence-function Bayesian bootstrap (BB) with data-driven tuning of the Dirichlet concentration parameter, α. By efficiently approximating the Bayesian bootstrap predictive distribution via influence functions and calibrating α to optimize empirical coverage or average log-probability, our method constructs prediction intervals and distributions that are both well-calibrated and sharp. Across a range of regression models and data settings, this Bayesian conformal framework consistently yields improved empirical coverage and log-score compared to standard Bayesian posteriors. Our procedure is fast, easy to implement, and offers a flexible approach for distributional calibration in predictive modeling.

Face recognition from image sets acquired under unregulated and uncontrolled settings, such as at large distances, low resolutions, varying viewpoints, illumination, pose, and atmospheric conditions, is challenging. Face feature aggregation, which involves aggregating a set of N feature representations present in a template into a single global representation, plays a pivotal role in such recognition systems. Existing works in traditional face feature aggregation either utilize metadata or high-dimensional intermediate feature representations to estimate feature quality for aggregation. However, generating high-quality metadata or style information is not feasible for extremely low-resolution faces captured in long-range and high altitude settings. To overcome these limitations, we propose a feature distribution conditioning approach called CoNAN for template aggregation. Specifically, our method aims to learn a context vector conditioned over the distribution information of the incoming feature set, which is utilized to weigh the features based on their estimated informativeness. The proposed method produces state-of-the-art results on long-range unconstrained face recognition datasets such as BTS, and DroneSURF, validating the advantages of such an aggregation strategy.

Visual recognition requires rich representations that span levels from low to high, scales from small to large, and resolutions from fine to coarse. Even with the depth of features in a convolutional network, a layer in isolation is not enough: compounding and aggregating these representations improves inference of what and where. Architectural efforts are exploring many dimensions for network backbones, designing deeper or wider architectures, but how to best aggregate layers and blocks across a network deserves further attention. Although skip connections have been incorporated to combine layers, these connections have been "shallow" themselves, and only fuse by simple, one-step operations. We augment standard architectures with deeper aggregation to better fuse information across layers. Our deep layer aggregation structures iteratively and hierarchically merge the feature hierarchy to make networks with better accuracy and fewer parameters. Experiments across architectures and tasks show that deep layer aggregation improves recognition and resolution compared to existing branching and merging schemes. The code is at https://github.com/ucbdrive/dla.

We create a framework for bootstrapping visual representation learning from a primitive visual grouping capability. We operationalize grouping via a contour detector that partitions an image into regions, followed by merging of those regions into a tree hierarchy. A small supervised dataset suffices for training this grouping primitive. Across a large unlabeled dataset, we apply this learned primitive to automatically predict hierarchical region structure. These predictions serve as guidance for self-supervised contrastive feature learning: we task a deep network with producing per-pixel embeddings whose pairwise distances respect the region hierarchy. Experiments demonstrate that our approach can serve as state-of-the-art generic pre-training, benefiting downstream tasks. We additionally explore applications to semantic region search and video-based object instance tracking.

The development of state-of-the-art systems in different applied areas of machine learning (ML) is driven by benchmarks, which have shaped the paradigm of evaluating generalisation capabilities from multiple perspectives. Although the paradigm is shifting towards more fine-grained evaluation across diverse tasks, the delicate question of how to aggregate the performances has received particular interest in the community. In general, benchmarks follow the unspoken utilitarian principles, where the systems are ranked based on their mean average score over task-specific metrics. Such aggregation procedure has been viewed as a sub-optimal evaluation protocol, which may have created the illusion of progress. This paper proposes Vote'n'Rank, a framework for ranking systems in multi-task benchmarks under the principles of the social choice theory. We demonstrate that our approach can be efficiently utilised to draw new insights on benchmarking in several ML sub-fields and identify the best-performing systems in research and development case studies. The Vote'n'Rank's procedures are more robust than the mean average while being able to handle missing performance scores and determine conditions under which the system becomes the winner.

Existing long-tailed recognition methods, aiming to train class-balanced models from long-tailed data, generally assume the models would be evaluated on the uniform test class distribution. However, practical test class distributions often violate this assumption (e.g., being either long-tailed or even inversely long-tailed), which may lead existing methods to fail in real applications. In this paper, we study a more practical yet challenging task, called test-agnostic long-tailed recognition, where the training class distribution is long-tailed while the test class distribution is agnostic and not necessarily uniform. In addition to the issue of class imbalance, this task poses another challenge: the class distribution shift between the training and test data is unknown. To tackle this task, we propose a novel approach, called Self-supervised Aggregation of Diverse Experts, which consists of two strategies: (i) a new skill-diverse expert learning strategy that trains multiple experts from a single and stationary long-tailed dataset to separately handle different class distributions; (ii) a novel test-time expert aggregation strategy that leverages self-supervision to aggregate the learned multiple experts for handling unknown test class distributions. We theoretically show that our self-supervised strategy has a provable ability to simulate test-agnostic class distributions. Promising empirical results demonstrate the effectiveness of our method on both vanilla and test-agnostic long-tailed recognition. Code is available at https://github.com/Vanint/SADE-AgnosticLT.

Aggregating information from features across different layers is an essential operation for dense prediction models. Despite its limited expressiveness, feature concatenation dominates the choice of aggregation operations. In this paper, we introduce Attentive Feature Aggregation (AFA) to fuse different network layers with more expressive non-linear operations. AFA exploits both spatial and channel attention to compute weighted average of the layer activations. Inspired by neural volume rendering, we extend AFA with Scale-Space Rendering (SSR) to perform late fusion of multi-scale predictions. AFA is applicable to a wide range of existing network designs. Our experiments show consistent and significant improvements on challenging semantic segmentation benchmarks, including Cityscapes, BDD100K, and Mapillary Vistas, at negligible computational and parameter overhead. In particular, AFA improves the performance of the Deep Layer Aggregation (DLA) model by nearly 6% mIoU on Cityscapes. Our experimental analyses show that AFA learns to progressively refine segmentation maps and to improve boundary details, leading to new state-of-the-art results on boundary detection benchmarks on BSDS500 and NYUDv2. Code and video resources are available at http://vis.xyz/pub/dla-afa.

We introduce IndiaFinBench, to our knowledge the first publicly available evaluation benchmark for assessing large language model (LLM) performance on Indian financial regulatory text. Existing financial NLP benchmarks draw exclusively from Western financial corpora (SEC filings, US earnings reports, and English-language financial news), leaving a significant gap in coverage of non-Western regulatory frameworks. IndiaFinBench addresses this gap with 406 expert-annotated question-answer pairs drawn from 192 documents sourced from the Securities and Exchange Board of India (SEBI) and the Reserve Bank of India (RBI), spanning four task types: regulatory interpretation (174 items), numerical reasoning (92 items), contradiction detection (62 items), and temporal reasoning (78 items). Annotation quality is validated through a model-based secondary pass (kappa=0.918 on contradiction detection) and a 60-item human inter-annotator agreement evaluation (kappa=0.611; 76.7% overall agreement). We evaluate twelve models under zero-shot conditions, with accuracy ranging from 70.4% (Gemma 4 E4B) to 89.7% (Gemini 2.5 Flash). All models substantially outperform a non-specialist human baseline of 60.0%. Numerical reasoning is the most discriminative task, with a 35.9 percentage-point spread across models. Bootstrap significance testing (10,000 resamples) reveals three statistically distinct performance tiers. The dataset, evaluation code, and all model outputs are available at https://github.com/rajveerpall/IndiaFinBench

We advocate a strategy of bootstrapping Feynman integrals from just knowledge of their singular behavior. This approach is complementary to other bootstrap programs, which exploit non-perturbative constraints such as unitarity, or amplitude-level constraints such as gauge invariance. We begin by studying where a Feynman integral can become singular, and the behavior it exhibits near these singularities. We then characterize the space of functions that we expect the integral to evaluate to, in order to formulate an appropriate ansatz. Finally, we derive constraints on where each singularity can appear in this ansatz, and use information about the expansion of the integral around singular points in order to determine the value of all remaining free coefficients. Throughout, we highlight how constraints that have previously only been derived for integrals with generic masses can be extended to integrals involving particles of equal or vanishing mass. We illustrate the effectiveness of this approach by bootstrapping a number of examples, including the four-point double box with a massive internal loop.

We present an efficient algorithm for simultaneously training sparse generalized linear models across many related problems, which may arise from bootstrapping, cross-validation and nonparametric permutation testing. Our approach leverages the redundancies across problems to obtain significant computational improvements relative to solving the problems sequentially by a conventional algorithm. We demonstrate our fast simultaneous training of generalized linear models (FaSTGLZ) algorithm on a number of real-world datasets, and we run otherwise computationally intensive bootstrapping and permutation test analyses that are typically necessary for obtaining statistically rigorous classification results and meaningful interpretation. Code is freely available at http://liinc.bme.columbia.edu/fastglz.

Text embeddings for Portuguese have no dedicated benchmark: evaluation rests on translated corpora such as English MS MARCO or on thin multilingual coverage, with native tasks scattered and unconsolidated. We introduce MTEB-PT, a benchmark of 22 native Brazilian-Portuguese tasks across seven categories (classification, multilabel classification, pair classification, semantic textual similarity, clustering, retrieval, and reranking), admitting only data created or found in Portuguese and excluding translations by construction. We evaluate 93 models spanning 23M to 27B parameters: 73 open-weight and 20 closed commercial APIs. Alongside the leaderboard we report a statistical layer for every headline comparison: per-task bootstrap confidence intervals, paired-bootstrap significance, a task- and instance-level discrimination analysis (how sharply each task separates models) adapted from Item Response Theory, and a cross-leaderboard correlation. Three findings stand out. The benchmark cleanly separates about a dozen tiers of models, though the top six are statistically too close to order. An openly licensed, self-hostable model reaches that leading tier, so strong Portuguese embedding quality does not require a commercial API. And a model's rank on the global multilingual leaderboard predicts its Portuguese rank only moderately (Spearman rho = 0.75 over 55 shared models; one model ranks 3rd there and 49th here), so a native benchmark measures something the multilingual boards do not. We release every task, our code, and a public leaderboard, so practitioners can choose Portuguese embedding models on native evidence.

Transformer-based models have been widely demonstrated to be successful in computer vision tasks by modelling long-range dependencies and capturing global representations. However, they are often dominated by features of large patterns leading to the loss of local details (e.g., boundaries and small objects), which are critical in medical image segmentation. To alleviate this problem, we propose a Dual-Aggregation Transformer Network called DuAT, which is characterized by two innovative designs, namely, the Global-to-Local Spatial Aggregation (GLSA) and Selective Boundary Aggregation (SBA) modules. The GLSA has the ability to aggregate and represent both global and local spatial features, which are beneficial for locating large and small objects, respectively. The SBA module is used to aggregate the boundary characteristic from low-level features and semantic information from high-level features for better preserving boundary details and locating the re-calibration objects. Extensive experiments in six benchmark datasets demonstrate that our proposed model outperforms state-of-the-art methods in the segmentation of skin lesion images, and polyps in colonoscopy images. In addition, our approach is more robust than existing methods in various challenging situations such as small object segmentation and ambiguous object boundaries.

Deep neural networks are vulnerable to universal adversarial perturbation (UAP), an instance-agnostic perturbation capable of fooling the target model for most samples. Compared to instance-specific adversarial examples, UAP is more challenging as it needs to generalize across various samples and models. In this paper, we examine the serious dilemma of UAP generation methods from a generalization perspective -- the gradient vanishing problem using small-batch stochastic gradient optimization and the local optima problem using large-batch optimization. To address these problems, we propose a simple and effective method called Stochastic Gradient Aggregation (SGA), which alleviates the gradient vanishing and escapes from poor local optima at the same time. Specifically, SGA employs the small-batch training to perform multiple iterations of inner pre-search. Then, all the inner gradients are aggregated as a one-step gradient estimation to enhance the gradient stability and reduce quantization errors. Extensive experiments on the standard ImageNet dataset demonstrate that our method significantly enhances the generalization ability of UAP and outperforms other state-of-the-art methods. The code is available at https://github.com/liuxuannan/Stochastic-Gradient-Aggregation.

In this work, we derive sharp non-asymptotic deviation bounds for weighted sums of Dirichlet random variables. These bounds are based on a novel integral representation of the density of a weighted Dirichlet sum. This representation allows us to obtain a Gaussian-like approximation for the sum distribution using geometry and complex analysis methods. Our results generalize similar bounds for the Beta distribution obtained in the seminal paper Alfers and Dinges [1984]. Additionally, our results can be considered a sharp non-asymptotic version of the inverse of Sanov's theorem studied by Ganesh and O'Connell [1999] in the Bayesian setting. Based on these results, we derive new deviation bounds for the Dirichlet process posterior means with application to Bayesian bootstrap. Finally, we apply our estimates to the analysis of the Multinomial Thompson Sampling (TS) algorithm in multi-armed bandits and significantly sharpen the existing regret bounds by making them independent of the size of the arms distribution support.

Benchmark quality is critical for meaningful evaluation and sustained progress in time series forecasting, particularly given the recent rise of pretrained models. Existing benchmarks often have narrow domain coverage or overlook important real-world settings, such as tasks with covariates. Additionally, their aggregation procedures often lack statistical rigor, making it unclear whether observed performance differences reflect true improvements or random variation. Many benchmarks also fail to provide infrastructure for consistent evaluation or are too rigid to integrate into existing pipelines. To address these gaps, we propose fev-bench, a benchmark comprising 100 forecasting tasks across seven domains, including 46 tasks with covariates. Supporting the benchmark, we introduce fev, a lightweight Python library for benchmarking forecasting models that emphasizes reproducibility and seamless integration with existing workflows. Usingfev, fev-bench employs principled aggregation methods with bootstrapped confidence intervals to report model performance along two complementary dimensions: win rates and skill scores. We report results on fev-bench for various pretrained, statistical and baseline models, and identify promising directions for future research.

Federated learning (FL) is a distributed learning protocol in which a server needs to aggregate a set of models learned some independent clients to proceed the learning process. At present, model averaging, known as FedAvg, is one of the most widely adapted aggregation techniques. However, it is known to yield the models with degraded prediction accuracy and slow convergence. In this work, we find out that averaging models from different clients significantly diminishes the norm of the update vectors, resulting in slow learning rate and low prediction accuracy. Therefore, we propose a new aggregation method called FedNNNN. Instead of simple model averaging, we adjust the norm of the update vector and introduce momentum control techniques to improve the aggregation effectiveness of FL. As a demonstration, we evaluate FedNNNN on multiple datasets and scenarios with different neural network models, and observe up to 5.4% accuracy improvement.

Due to the rise of privacy concerns, in many practical applications the training data is aggregated before being shared with the learner, in order to protect privacy of users' sensitive responses. In an aggregate learning framework, the dataset is grouped into bags of samples, where each bag is available only with an aggregate response, providing a summary of individuals' responses in that bag. In this paper, we study two natural loss functions for learning from aggregate responses: bag-level loss and the instance-level loss. In the former, the model is learnt by minimizing a loss between aggregate responses and aggregate model predictions, while in the latter the model aims to fit individual predictions to the aggregate responses. In this work, we show that the instance-level loss can be perceived as a regularized form of the bag-level loss. This observation lets us compare the two approaches with respect to bias and variance of the resulting estimators, and introduce a novel interpolating estimator which combines the two approaches. For linear regression tasks, we provide a precise characterization of the risk of the interpolating estimator in an asymptotic regime where the size of the training set grows in proportion to the features dimension. Our analysis allows us to theoretically understand the effect of different factors, such as bag size on the model prediction risk. In addition, we propose a mechanism for differentially private learning from aggregate responses and derive the optimal bag size in terms of prediction risk-privacy trade-off. We also carry out thorough experiments to corroborate our theory and show the efficacy of the interpolating estimator.

Automating machine learning has achieved remarkable technological developments in recent years, and building an automated machine learning pipeline is now an essential task. The model ensemble is the technique of combining multiple models to get a better and more robust model. However, existing automated machine learning tends to be simplistic in handling the model ensemble, where the ensemble strategy is fixed, such as stacked generalization. There have been many techniques on different ensemble methods, especially ensemble selection, and the fixed ensemble strategy limits the upper limit of the model's performance. In this article, we present a novel framework for automated machine learning. Our framework incorporates advances in dynamic ensemble selection, and to our best knowledge, our approach is the first in the field of AutoML to search and optimize ensemble strategies. In the comparison experiments, our method outperforms the state-of-the-art automated machine learning frameworks with the same CPU time in 42 classification datasets from the OpenML platform. Ablation experiments on our framework validate the effectiveness of our proposed method.

Code agents increasingly help developers work with unfamiliar repositories, but every such task depends on a costly prerequisite: bootstrapping the repository into a usable development state. This process requires substantial trial-and-error exploration, yet the resulting knowledge--resolved dependencies, repair strategies--stays trapped in a single conversation, unavailable to future agents. We therefore formulate repository bootstrapping as a reusable startup knowledge problem and introduce BootstrapAgent, a multi-agent framework that distills the heuristics discovered during bootstrap exploration into a persistent, verifiable, agent-consumable .bootstrap contract. Through evidence extraction, structured planning, deterministic Docker-based verification, and trace-driven repair, BootstrapAgent generates a contract covering environment setup, diagnostic checks, minimal verification, and accumulated repair knowledge. We further propose warm repair with clean replay to accelerate iterative debugging without sacrificing cold-start reproducibility, and a delta repair with sanity check to prevent reward hacking. Experiments on three benchmarks show that BootstrapAgent achieves a 92.9% success rate, outperforming the baseline by over 10% while reducing downstream agent token usage by 25.9% and build time by 22.3%. Our code is available at https://github.com/Vossera/BootstrapAgent.

This report is a reproducibility study of the paper "CDUL: CLIP-Driven Unsupervised Learning for Multi-Label Image Classification" (Abdelfattah et al, ICCV 2023). Our report makes the following contributions: (1) We provide a reproducible, well commented and open-sourced code implementation for the entire method specified in the original paper. (2) We try to verify the effectiveness of the novel aggregation strategy which uses the CLIP model to initialize the pseudo labels for the subsequent unsupervised multi-label image classification task. (3) We try to verify the effectiveness of the gradient-alignment training method specified in the original paper, which is used to update the network parameters and pseudo labels. The code can be found at https://github.com/cs-mshah/CDUL

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.

In this paper, we introduce analytic federated learning (AFL), a new training paradigm that brings analytical (i.e., closed-form) solutions to the federated learning (FL) community. Our AFL draws inspiration from analytic learning -- a gradient-free technique that trains neural networks with analytical solutions in one epoch. In the local client training stage, the AFL facilitates a one-epoch training, eliminating the necessity for multi-epoch updates. In the aggregation stage, we derive an absolute aggregation (AA) law. This AA law allows a single-round aggregation, removing the need for multiple aggregation rounds. More importantly, the AFL exhibits a weight-invariant property, meaning that regardless of how the full dataset is distributed among clients, the aggregated result remains identical. This could spawn various potentials, such as data heterogeneity invariance, client-number invariance, absolute convergence, and being hyperparameter-free (our AFL is the first hyperparameter-free method in FL history). We conduct experiments across various FL settings including extremely non-IID ones, and scenarios with a large number of clients (e.g., ge 1000). In all these settings, our AFL constantly performs competitively while existing FL techniques encounter various obstacles. Code is available at https://github.com/ZHUANGHP/Analytic-federated-learning

The learning and deployment of long-LLMs remains a challenging problem despite recent progresses. In this work, we argue that the long-LLMs are not a necessity to solve long-context tasks, as common long-context tasks are short-context solvable, i.e. they can be solved by purely working with oracle short-contexts within the long-context tasks' inputs. On top of this argument, we propose a framework called LC-Boost (Long-Context Bootstrapper), which enables a short-LLM to address the long-context tasks in a bootstrapping manner. In our framework, the short-LLM prompts itself to reason for two critical decisions: 1) how to access to the appropriate part of context within the input, 2) how to make effective use of the accessed context. By adaptively accessing and utilizing the context based on the presented tasks, LC-Boost can serve as a general framework to handle diversified long-context processing problems. We comprehensively evaluate different types of tasks from popular long-context benchmarks, where LC-Boost is able to achieve a substantially improved performance with a much smaller consumption of resource.

Meta-learning empowers artificial intelligence to increase its efficiency by learning how to learn. Unlocking this potential involves overcoming a challenging meta-optimisation problem. We propose an algorithm that tackles this problem by letting the meta-learner teach itself. The algorithm first bootstraps a target from the meta-learner, then optimises the meta-learner by minimising the distance to that target under a chosen (pseudo-)metric. Focusing on meta-learning with gradients, we establish conditions that guarantee performance improvements and show that the metric can control meta-optimisation. Meanwhile, the bootstrapping mechanism can extend the effective meta-learning horizon without requiring backpropagation through all updates. We achieve a new state-of-the art for model-free agents on the Atari ALE benchmark and demonstrate that it yields both performance and efficiency gains in multi-task meta-learning. Finally, we explore how bootstrapping opens up new possibilities and find that it can meta-learn efficient exploration in an epsilon-greedy Q-learning agent, without backpropagating through the update rule.

Traditional fixed test sets fall short in evaluating open-ended capabilities of foundation models. To address this, we propose ONEBench(OpeN-Ended Benchmarking), a new testing paradigm that consolidates individual evaluation datasets into a unified, ever-expanding sample pool. ONEBench allows users to generate custom, open-ended evaluation benchmarks from this pool, corresponding to specific capabilities of interest. By aggregating samples across test sets, ONEBench enables the assessment of diverse capabilities beyond those covered by the original test sets, while mitigating overfitting and dataset bias. Most importantly, it frames model evaluation as a collective process of selecting and aggregating sample-level tests. The shift from task-specific benchmarks to ONEBench introduces two challenges: (1)heterogeneity and (2)incompleteness. Heterogeneity refers to the aggregation over diverse metrics, while incompleteness describes comparing models evaluated on different data subsets. To address these challenges, we explore algorithms to aggregate sparse measurements into reliable model scores. Our aggregation algorithm ensures identifiability(asymptotically recovering ground-truth scores) and rapid convergence, enabling accurate model ranking with less data. On homogenous datasets, we show our aggregation algorithm provides rankings that highly correlate with those produced by average scores. We also demonstrate robustness to ~95% of measurements missing, reducing evaluation cost by up to 20x with little-to-no change in model rankings. We introduce ONEBench-LLM for language models and ONEBench-LMM for vision-language models, unifying evaluations across these domains. Overall, we present a technique for open-ended evaluation, which can aggregate over incomplete, heterogeneous sample-level measurements to continually grow a benchmark alongside the rapidly developing foundation models.

This paper introduces a Transformer-based integrative feature and cost aggregation network designed for dense matching tasks. In the context of dense matching, many works benefit from one of two forms of aggregation: feature aggregation, which pertains to the alignment of similar features, or cost aggregation, a procedure aimed at instilling coherence in the flow estimates across neighboring pixels. In this work, we first show that feature aggregation and cost aggregation exhibit distinct characteristics and reveal the potential for substantial benefits stemming from the judicious use of both aggregation processes. We then introduce a simple yet effective architecture that harnesses self- and cross-attention mechanisms to show that our approach unifies feature aggregation and cost aggregation and effectively harnesses the strengths of both techniques. Within the proposed attention layers, the features and cost volume both complement each other, and the attention layers are interleaved through a coarse-to-fine design to further promote accurate correspondence estimation. Finally at inference, our network produces multi-scale predictions, computes their confidence scores, and selects the most confident flow for final prediction. Our framework is evaluated on standard benchmarks for semantic matching, and also applied to geometric matching, where we show that our approach achieves significant improvements compared to existing methods.

We present DYMAG, a graph neural network based on a novel form of message aggregation. Standard message-passing neural networks, which often aggregate local neighbors via mean-aggregation, can be regarded as convolving with a simple rectangular waveform which is non-zero only on 1-hop neighbors of every vertex. Here, we go beyond such local averaging. We will convolve the node features with more sophisticated waveforms generated using dynamics such as the heat equation, wave equation, and the Sprott model (an example of chaotic dynamics). Furthermore, we use snapshots of these dynamics at different time points to create waveforms at many effective scales. Theoretically, we show that these dynamic waveforms can capture salient information about the graph including connected components, connectivity, and cycle structures even with no features. Empirically, we test DYMAG on both real and synthetic benchmarks to establish that DYMAG outperforms baseline models on recovery of graph persistence, generating parameters of random graphs, as well as property prediction for proteins, molecules and materials. Our code is available at https://github.com/KrishnaswamyLab/DYMAG.

We propose the use of dilated filters to construct an aggregation module in a multicolumn convolutional neural network for perspective-free counting. Counting is a common problem in computer vision (e.g. traffic on the street or pedestrians in a crowd). Modern approaches to the counting problem involve the production of a density map via regression whose integral is equal to the number of objects in the image. However, objects in the image can occur at different scales (e.g. due to perspective effects) which can make it difficult for a learning agent to learn the proper density map. While the use of multiple columns to extract multiscale information from images has been shown before, our approach aggregates the multiscale information gathered by the multicolumn convolutional neural network to improve performance. Our experiments show that our proposed network outperforms the state-of-the-art on many benchmark datasets, and also that using our aggregation module in combination with a higher number of columns is beneficial for multiscale counting.

Reliably labelling data typically requires annotations from multiple human workers. However, humans are far from being perfect. Hence, it is a common practice to aggregate labels gathered from multiple annotators to make a more confident estimate of the true label. Among many aggregation methods, the simple and well known Majority Vote (MV) selects the class label polling the highest number of votes. However, despite its importance, the optimality of MV's label aggregation has not been extensively studied. We address this gap in our work by characterising the conditions under which MV achieves the theoretically optimal lower bound on label estimation error. Our results capture the tolerable limits on annotation noise under which MV can optimally recover labels for a given class distribution. This certificate of optimality provides a more principled approach to model selection for label aggregation as an alternative to otherwise inefficient practices that sometimes include higher experts, gold labels, etc., that are all marred by the same human uncertainty despite huge time and monetary costs. Experiments on both synthetic and real world data corroborate our theoretical findings.

This paper pursues the insight that large language models (LLMs) trained to generate code can vastly improve the effectiveness of mutation operators applied to programs in genetic programming (GP). Because such LLMs benefit from training data that includes sequential changes and modifications, they can approximate likely changes that humans would make. To highlight the breadth of implications of such evolution through large models (ELM), in the main experiment ELM combined with MAP-Elites generates hundreds of thousands of functional examples of Python programs that output working ambulating robots in the Sodarace domain, which the original LLM had never seen in pre-training. These examples then help to bootstrap training a new conditional language model that can output the right walker for a particular terrain. The ability to bootstrap new models that can output appropriate artifacts for a given context in a domain where zero training data was previously available carries implications for open-endedness, deep learning, and reinforcement learning. These implications are explored here in depth in the hope of inspiring new directions of research now opened up by ELM.

Leveraging nearest neighbor retrieval for self-supervised representation learning has proven beneficial with object-centric images. However, this approach faces limitations when applied to scene-centric datasets, where multiple objects within an image are only implicitly captured in the global representation. Such global bootstrapping can lead to undesirable entanglement of object representations. Furthermore, even object-centric datasets stand to benefit from a finer-grained bootstrapping approach. In response to these challenges, we introduce a novel Cross-Image Object-Level Bootstrapping method tailored to enhance dense visual representation learning. By employing object-level nearest neighbor bootstrapping throughout the training, CrIBo emerges as a notably strong and adequate candidate for in-context learning, leveraging nearest neighbor retrieval at test time. CrIBo shows state-of-the-art performance on the latter task while being highly competitive in more standard downstream segmentation tasks. Our code and pretrained models are publicly available at https://github.com/tileb1/CrIBo.

Non-linear interactions during inflation generate non-Gaussianities in the distribution of primordial curvature. In many theories, the physics is scale-invariant, such that the induced three-point function depends solely on a dimensionless shape function S(x,y)sim k^6B_ζ(kx,ky,k). To confront such models with observations, one typically builds specialized estimators for each shape, then applies them to cosmic microwave background datasets at significant computational expense. In this Letter, we take a different approach, directly reconstructing S(x,y) from observations using an efficient logarithmically-binned estimator in primordial-space (motivated by the modal program). Applying this to temperature and polarization maps from Planck, we obtain high-resolution shape measurements across the full (x,y)-plane, including squeezed limits. Our approach is close-to-optimal, highly interpretable, and preserves the information content on (optimally-analyzed) standard templates within approx 10%; moreover, we can use it to assess the scale-dependence of our constraints, finding that Planck is sensitive to approx 6 e-folds of non-Gaussian evolution with a peak sensitivity around 0.1h,Mpc^{-1}. Since we work directly in shape-space, data and theory can be compared in milliseconds. As an example, we perform a search for massive particle exchange using a suite of over 20,000 theoretical templates computed with exact bootstrap methods (for the first time) across a wide range of masses, spins, and sound-speeds; the spin-two analysis yields a maximum significance of 2.6σ. Our approach can be used to probe a wide range of scale-invariant models in orders-of-magnitude less time than with direct estimators, allowing the inflationary paradigm to be explored in new ways.

While transfer learning is an advantageous strategy, it overlooks the opportunity to leverage knowledge from numerous available models online. Addressing this multi-source transfer learning problem is a promising path to boost adaptability and cut re-training costs. However, existing approaches are inherently coarse-grained, lacking the necessary precision for granular knowledge extraction and the aggregation efficiency required to fuse knowledge from either a large number of source models or those with high parameter counts. We address these limitations by leveraging Singular Value Decomposition (SVD) to first decompose each source model into its elementary, rank-one components. A subsequent aggregation stage then selects only the most salient components from all sources, thereby overcoming the previous efficiency and precision limitations. To best preserve and leverage the synthesized knowledge base, our method adapts to the target task by fine-tuning only the principal singular values of the merged matrix. In essence, this process only recalibrates the importance of top SVD components. The proposed framework allows for efficient transfer learning, is robust to perturbations both at the input level and in the parameter space (e.g., noisy or pruned sources), and scales well computationally.

The ROC curve is the major tool for assessing not only the performance but also the fairness properties of a similarity scoring function. In order to draw reliable conclusions based on empirical ROC analysis, accurately evaluating the uncertainty level related to statistical versions of the ROC curves of interest is absolutely necessary, especially for applications with considerable societal impact such as Face Recognition. In this article, we prove asymptotic guarantees for empirical ROC curves of similarity functions as well as for by-product metrics useful to assess fairness. We also explain that, because the false acceptance/rejection rates are of the form of U-statistics in the case of similarity scoring, the naive bootstrap approach may jeopardize the assessment procedure. A dedicated recentering technique must be used instead. Beyond the theoretical analysis carried out, various experiments using real face image datasets provide strong empirical evidence of the practical relevance of the methods promoted here, when applied to several ROC-based measures such as popular fairness metrics.

We present Natural Gradient Boosting (NGBoost), an algorithm for generic probabilistic prediction via gradient boosting. Typical regression models return a point estimate, conditional on covariates, but probabilistic regression models output a full probability distribution over the outcome space, conditional on the covariates. This allows for predictive uncertainty estimation -- crucial in applications like healthcare and weather forecasting. NGBoost generalizes gradient boosting to probabilistic regression by treating the parameters of the conditional distribution as targets for a multiparameter boosting algorithm. Furthermore, we show how the Natural Gradient is required to correct the training dynamics of our multiparameter boosting approach. NGBoost can be used with any base learner, any family of distributions with continuous parameters, and any scoring rule. NGBoost matches or exceeds the performance of existing methods for probabilistic prediction while offering additional benefits in flexibility, scalability, and usability. An open-source implementation is available at github.com/stanfordmlgroup/ngboost.

The recently proposed SparseFormer architecture provides an alternative approach to visual understanding by utilizing a significantly lower number of visual tokens via adjusting RoIs, greatly reducing computational costs while still achieving promising performance. However, training SparseFormers from scratch is still expensive, and scaling up the number of parameters can be challenging. In this paper, we propose to bootstrap SparseFormers from ViT-based vision foundation models in a simple and efficient way. Since the majority of SparseFormer blocks are the standard transformer ones, we can inherit weights from large-scale pre-trained vision transformers and freeze them as much as possible. Therefore, we only need to train the SparseFormer-specific lightweight focusing transformer to adjust token RoIs and fine-tune a few early pre-trained blocks to align the final token representation. In such a way, we can bootstrap SparseFormer architectures from various large-scale pre-trained models (e.g., IN-21K pre-trained AugRegs or CLIPs) using a rather smaller amount of training samples (e.g., IN-1K) and without labels or captions within just a few hours. As a result, the bootstrapped unimodal SparseFormer (from AugReg-ViT-L/16-384) can reach 84.9% accuracy on IN-1K with only 49 tokens, and the multimodal SparseFormer from CLIPs also demonstrates notable zero-shot performance with highly reduced computational cost without seeing any caption during the bootstrapping procedure. In addition, CLIP-bootstrapped SparseFormers, which align the output space with language without seeing a word, can serve as efficient vision encoders in multimodal large language models. Code will be publicly available at https://github.com/showlab/sparseformer

Bootstrap Your Own Latent (BYOL) is a self-supervised learning approach for image representation. From an augmented view of an image, BYOL trains an online network to predict a target network representation of a different augmented view of the same image. Unlike contrastive methods, BYOL does not explicitly use a repulsion term built from negative pairs in its training objective. Yet, it avoids collapse to a trivial, constant representation. Thus, it has recently been hypothesized that batch normalization (BN) is critical to prevent collapse in BYOL. Indeed, BN flows gradients across batch elements, and could leak information about negative views in the batch, which could act as an implicit negative (contrastive) term. However, we experimentally show that replacing BN with a batch-independent normalization scheme (namely, a combination of group normalization and weight standardization) achieves performance comparable to vanilla BYOL (73.9% vs. 74.3% top-1 accuracy under the linear evaluation protocol on ImageNet with ResNet-50). Our finding disproves the hypothesis that the use of batch statistics is a crucial ingredient for BYOL to learn useful representations.

Neural networks are known to produce poor uncertainty estimations, and a variety of approaches have been proposed to remedy this issue. This includes deep ensemble, a simple and effective method that achieves state-of-the-art results for uncertainty-aware learning tasks. In this work, we explore a combinatorial generalization of deep ensemble called deep combinatorial aggregation (DCA). DCA creates multiple instances of network components and aggregates their combinations to produce diversified model proposals and predictions. DCA components can be defined at different levels of granularity. And we discovered that coarse-grain DCAs can outperform deep ensemble for uncertainty-aware learning both in terms of predictive performance and uncertainty estimation. For fine-grain DCAs, we discover that an average parameterization approach named deep combinatorial weight averaging (DCWA) can improve the baseline training. It is on par with stochastic weight averaging (SWA) but does not require any custom training schedule or adaptation of BatchNorm layers. Furthermore, we propose a consistency enforcing loss that helps the training of DCWA and modelwise DCA. We experiment on in-domain, distributional shift, and out-of-distribution image classification tasks, and empirically confirm the effectiveness of DCWA and DCA approaches.

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

This paper studies the multi-modal recommendation problem, where the item multi-modality information (e.g., images and textual descriptions) is exploited to improve the recommendation accuracy. Besides the user-item interaction graph, existing state-of-the-art methods usually use auxiliary graphs (e.g., user-user or item-item relation graph) to augment the learned representations of users and/or items. These representations are often propagated and aggregated on auxiliary graphs using graph convolutional networks, which can be prohibitively expensive in computation and memory, especially for large graphs. Moreover, existing multi-modal recommendation methods usually leverage randomly sampled negative examples in Bayesian Personalized Ranking (BPR) loss to guide the learning of user/item representations, which increases the computational cost on large graphs and may also bring noisy supervision signals into the training process. To tackle the above issues, we propose a novel self-supervised multi-modal recommendation model, dubbed BM3, which requires neither augmentations from auxiliary graphs nor negative samples. Specifically, BM3 first bootstraps latent contrastive views from the representations of users and items with a simple dropout augmentation. It then jointly optimizes three multi-modal objectives to learn the representations of users and items by reconstructing the user-item interaction graph and aligning modality features under both inter- and intra-modality perspectives. BM3 alleviates both the need for contrasting with negative examples and the complex graph augmentation from an additional target network for contrastive view generation. We show BM3 outperforms prior recommendation models on three datasets with number of nodes ranging from 20K to 200K, while achieving a 2-9X reduction in training time. Our code is available at https://github.com/enoche/BM3.

In modern machine learning problems we deal with datasets that are either distributed by nature or potentially large for which distributing the computations is usually a standard way to proceed, since centralized algorithms are in general ineffective. We propose a distributed learning approach for mixtures of experts (MoE) models with an aggregation strategy to construct a reduction estimator from local estimators fitted parallelly to distributed subsets of the data. The aggregation is based on an optimal minimization of an expected transportation divergence between the large MoE composed of local estimators and the unknown desired MoE model. We show that the provided reduction estimator is consistent as soon as the local estimators to be aggregated are consistent, and its construction is performed by a proposed majorization-minimization (MM) algorithm that is computationally effective. We study the statistical and numerical properties for the proposed reduction estimator on experiments that demonstrate its performance compared to namely the global estimator constructed in a centralized way from the full dataset. For some situations, the computation time is more than ten times faster, for a comparable performance. Our source codes are publicly available on Github.

Graph neural networks (GNNs) have been shown to be highly sensitive to the choice of aggregation function. While summing over a node's neighbours can approximate any permutation-invariant function over discrete inputs, Cohen-Karlik et al. [2020] proved there are set-aggregation problems for which summing cannot generalise to unbounded inputs, proposing recurrent neural networks regularised towards permutation-invariance as a more expressive aggregator. We show that these results carry over to the graph domain: GNNs equipped with recurrent aggregators are competitive with state-of-the-art permutation-invariant aggregators, on both synthetic benchmarks and real-world problems. However, despite the benefits of recurrent aggregators, their O(V) depth makes them both difficult to parallelise and harder to train on large graphs. Inspired by the observation that a well-behaved aggregator for a GNN is a commutative monoid over its latent space, we propose a framework for constructing learnable, commutative, associative binary operators. And with this, we construct an aggregator of O(log V) depth, yielding exponential improvements for both parallelism and dependency length while achieving performance competitive with recurrent aggregators. Based on our empirical observations, our proposed learnable commutative monoid (LCM) aggregator represents a favourable tradeoff between efficient and expressive aggregators.

A feature-based model explanation denotes how much each input feature contributes to a model's output for a given data point. As the number of proposed explanation functions grows, we lack quantitative evaluation criteria to help practitioners know when to use which explanation function. This paper proposes quantitative evaluation criteria for feature-based explanations: low sensitivity, high faithfulness, and low complexity. We devise a framework for aggregating explanation functions. We develop a procedure for learning an aggregate explanation function with lower complexity and then derive a new aggregate Shapley value explanation function that minimizes sensitivity.

We introduce Bootstrap Your Own Latent (BYOL), a new approach to self-supervised image representation learning. BYOL relies on two neural networks, referred to as online and target networks, that interact and learn from each other. From an augmented view of an image, we train the online network to predict the target network representation of the same image under a different augmented view. At the same time, we update the target network with a slow-moving average of the online network. While state-of-the art methods rely on negative pairs, BYOL achieves a new state of the art without them. BYOL reaches 74.3% top-1 classification accuracy on ImageNet using a linear evaluation with a ResNet-50 architecture and 79.6% with a larger ResNet. We show that BYOL performs on par or better than the current state of the art on both transfer and semi-supervised benchmarks. Our implementation and pretrained models are given on GitHub.

Prediction of stock groups' values has always been attractive and challenging for shareholders. This paper concentrates on the future prediction of stock market groups. Four groups named diversified financials, petroleum, non-metallic minerals and basic metals from Tehran stock exchange are chosen for experimental evaluations. Data are collected for the groups based on ten years of historical records. The values predictions are created for 1, 2, 5, 10, 15, 20 and 30 days in advance. The machine learning algorithms utilized for prediction of future values of stock market groups. We employed Decision Tree, Bagging, Random Forest, Adaptive Boosting (Adaboost), Gradient Boosting and eXtreme Gradient Boosting (XGBoost), and Artificial neural network (ANN), Recurrent Neural Network (RNN) and Long short-term memory (LSTM). Ten technical indicators are selected as the inputs into each of the prediction models. Finally, the result of predictions is presented for each technique based on three metrics. Among all the algorithms used in this paper, LSTM shows more accurate results with the highest model fitting ability. Also, for tree-based models, there is often an intense competition between Adaboost, Gradient Boosting, and XGBoost.

We introduce a novel cost aggregation network, dubbed Volumetric Aggregation with Transformers (VAT), to tackle the few-shot segmentation task by using both convolutions and transformers to efficiently handle high dimensional correlation maps between query and support. In specific, we propose our encoder consisting of volume embedding module to not only transform the correlation maps into more tractable size but also inject some convolutional inductive bias and volumetric transformer module for the cost aggregation. Our encoder has a pyramidal structure to let the coarser level aggregation to guide the finer level and enforce to learn complementary matching scores. We then feed the output into our affinity-aware decoder along with the projected feature maps for guiding the segmentation process. Combining these components, we conduct experiments to demonstrate the effectiveness of the proposed method, and our method sets a new state-of-the-art for all the standard benchmarks in few-shot segmentation task. Furthermore, we find that the proposed method attains state-of-the-art performance even for the standard benchmarks in semantic correspondence task although not specifically designed for this task. We also provide an extensive ablation study to validate our architectural choices. The trained weights and codes are available at: https://seokju-cho.github.io/VAT/.

Recent text-to-image generation models have demonstrated incredible success in generating images that faithfully follow input prompts. However, the requirement of using words to describe a desired concept provides limited control over the appearance of the generated concepts. In this work, we address this shortcoming by proposing an approach to enable personalization capabilities in existing text-to-image diffusion models. We propose a novel architecture (BootPIG) that allows a user to provide reference images of an object in order to guide the appearance of a concept in the generated images. The proposed BootPIG architecture makes minimal modifications to a pretrained text-to-image diffusion model and utilizes a separate UNet model to steer the generations toward the desired appearance. We introduce a training procedure that allows us to bootstrap personalization capabilities in the BootPIG architecture using data generated from pretrained text-to-image models, LLM chat agents, and image segmentation models. In contrast to existing methods that require several days of pretraining, the BootPIG architecture can be trained in approximately 1 hour. Experiments on the DreamBooth dataset demonstrate that BootPIG outperforms existing zero-shot methods while being comparable with test-time finetuning approaches. Through a user study, we validate the preference for BootPIG generations over existing methods both in maintaining fidelity to the reference object's appearance and aligning with textual prompts.

We extend molecular bootstrap embedding to make it appropriate for implementation on a quantum computer. This enables solution of the electronic structure problem of a large molecule as an optimization problem for a composite Lagrangian governing fragments of the total system, in such a way that fragment solutions can harness the capabilities of quantum computers. By employing state-of-art quantum subroutines including the quantum SWAP test and quantum amplitude amplification, we show how a quadratic speedup can be obtained over the classical algorithm, in principle. Utilization of quantum computation also allows the algorithm to match -- at little additional computational cost -- full density matrices at fragment boundaries, instead of being limited to 1-RDMs. Current quantum computers are small, but quantum bootstrap embedding provides a potentially generalizable strategy for harnessing such small machines through quantum fragment matching.

Recently, Qiao, Duan, and Cheng~(2019) proposed a distributed nearest-neighbor classification method, in which a massive dataset is split into smaller groups, each processed with a k-nearest-neighbor classifier, and the final class label is predicted by a majority vote among these groupwise class labels. This paper shows that the distributed algorithm with k=1 over a sufficiently large number of groups attains a minimax optimal error rate up to a multiplicative logarithmic factor under some regularity conditions, for both regression and classification problems. Roughly speaking, distributed 1-nearest-neighbor rules with M groups has a performance comparable to standard Theta(M)-nearest-neighbor rules. In the analysis, alternative rules with a refined aggregation method are proposed and shown to attain exact minimax optimal rates.

Impact craters are a cornerstone of planetary surface analysis. However, while most deep learning pipelines treat craters solely as a detection problem, critical scientific workflows such as catalog deduplication, cross-observation matching, and morphological analog discovery are inherently retrieval tasks. To address this, we formulate crater analysis as an instance-level image retrieval problem and introduce CraterBench-R, a curated benchmark featuring about 25,000 crater identities with multi-scale gallery views and manually verified queries spanning diverse scales and contexts. Our baseline evaluations across various architectures reveal that self-supervised Vision Transformers (ViTs), particularly those with in-domain pretraining, dominate the task, outperforming generic models with significantly more parameters. Furthermore, we demonstrate that retaining multiple ViT patch tokens for late-interaction matching dramatically improves accuracy over standard single-vector pooling. However, storing all tokens per image is operationally inefficient at a planetary scale. To close this efficiency gap, we propose instance-token aggregation, a scalable, training-free method that selects K seed tokens, assigns the remaining tokens to these seeds via cosine similarity, and aggregates each cluster into a single representative token. This approach yields substantial gains: at K=16, aggregation improves mAP by 17.9 points over raw token selection, and at K=64, it matches the accuracy of using all 196 tokens with significantly less storage. Finally, we demonstrate that a practical two-stage pipeline, with single-vector shortlisting followed by instance-token reranking, recovers 89-94% of the full late-interaction accuracy while searching only a small candidate set. The benchmark is publicly available at hf.co/datasets/jfang/CraterBench-R.

Visual place recognition (VPR) is typically regarded as a specific image retrieval task, whose core lies in representing images as global descriptors. Over the past decade, dominant VPR methods (e.g., NetVLAD) have followed a paradigm that first extracts the patch features/tokens of the input image using a backbone, and then aggregates these patch features into a global descriptor via an aggregator. This backbone-plus-aggregator paradigm has achieved overwhelming dominance in the CNN era and remains widely used in transformer-based models. In this paper, however, we argue that a dedicated aggregator is not necessary in the transformer era, that is, we can obtain robust global descriptors only with the backbone. Specifically, we introduce some learnable aggregation tokens, which are prepended to the patch tokens before a particular transformer block. All these tokens will be jointly processed and interact globally via the intrinsic self-attention mechanism, implicitly aggregating useful information within the patch tokens to the aggregation tokens. Finally, we only take these aggregation tokens from the last output tokens and concatenate them as the global representation. Although implicit aggregation can provide robust global descriptors in an extremely simple manner, where and how to insert additional tokens, as well as the initialization of tokens, remains an open issue worthy of further exploration. To this end, we also propose the optimal token insertion strategy and token initialization method derived from empirical studies. Experimental results show that our method outperforms state-of-the-art methods on several VPR datasets with higher efficiency and ranks 1st on the MSLS challenge leaderboard. The code is available at https://github.com/lu-feng/image.

Long context reasoning in large language models (LLMs) has demonstrated enhancement of their cognitive capabilities via chain-of-thought (CoT) inference. Training such models is usually done via reinforcement learning with verifiable rewards (RLVR) in reasoning based problems, like math and programming. However, RLVR is limited by several bottlenecks, such as, lack of dense reward, and inadequate sample efficiency. As a result, it requires significant compute resources in post-training phase. To overcome these limitations, in this work, we propose Semantic Soft Bootstrapping (SSB), a self-distillation technique, in which the same base language model plays the role of both teacher and student, but receives different semantic contexts about the correctness of its outcome at training time. The model is first prompted with a math problem and several rollouts are generated. From them, the correct and most common incorrect response are filtered, and then provided to the model in context to produce a more robust, step-by-step explanation with a verified final answer. This pipeline automatically curates a paired teacher-student training set from raw problem-answer data, without any human intervention. This generation process also produces a sequence of logits, which is what the student model tries to match in the training phase just from the bare question alone. In our experiment, Qwen2.5-3B-Instruct on GSM8K dataset via parameter-efficient fine-tuning. We then tested its accuracy on MATH500, and AIME2024 benchmarks. Our experiments show a jump of 10.6%, and 10% improvements in accuracy, respectively, over group relative policy optimization (GRPO), which is a commonly used RLVR algorithm. Our code is available at https://github.com/purbeshmitra/semantic-soft-bootstrapping, and the model, curated dataset is available at https://huggingface.co/purbeshmitra/semantic-soft-bootstrapping.

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.

The Combined Algorithm Selection and Hyperparameters optimization (CASH) problem is one of the fundamental problems in Automated Machine Learning (AutoML). Motivated by the success of ensemble learning, recent AutoML systems build post-hoc ensembles to output the final predictions instead of using the best single learner. However, while most CASH methods focus on searching for a single learner with the best performance, they neglect the diversity among base learners (i.e., they may suggest similar configurations to previously evaluated ones), which is also a crucial consideration when building an ensemble. To tackle this issue and further enhance the ensemble performance, we propose DivBO, a diversity-aware framework to inject explicit search of diversity into the CASH problems. In the framework, we propose to use a diversity surrogate to predict the pair-wise diversity of two unseen configurations. Furthermore, we introduce a temporary pool and a weighted acquisition function to guide the search of both performance and diversity based on Bayesian optimization. Empirical results on 15 public datasets show that DivBO achieves the best average ranks (1.82 and 1.73) on both validation and test errors among 10 compared methods, including post-hoc designs in recent AutoML systems and state-of-the-art baselines for ensemble learning on CASH problems.

In self-supervised learning, multi-granular features are heavily desired though rarely investigated, as different downstream tasks (e.g., general and fine-grained classification) often require different or multi-granular features, e.g.~fine- or coarse-grained one or their mixture. In this work, for the first time, we propose an effective MUlti-Granular Self-supervised learning (Mugs) framework to explicitly learn multi-granular visual features. Mugs has three complementary granular supervisions: 1) an instance discrimination supervision (IDS), 2) a novel local-group discrimination supervision (LGDS), and 3) a group discrimination supervision (GDS). IDS distinguishes different instances to learn instance-level fine-grained features. LGDS aggregates features of an image and its neighbors into a local-group feature, and pulls local-group features from different crops of the same image together and push them away for others. It provides complementary instance supervision to IDS via an extra alignment on local neighbors, and scatters different local-groups separately to increase discriminability. Accordingly, it helps learn high-level fine-grained features at a local-group level. Finally, to prevent similar local-groups from being scattered randomly or far away, GDS brings similar samples close and thus pulls similar local-groups together, capturing coarse-grained features at a (semantic) group level. Consequently, Mugs can capture three granular features that often enjoy higher generality on diverse downstream tasks over single-granular features, e.g.~instance-level fine-grained features in contrastive learning. By only pretraining on ImageNet-1K, Mugs sets new SoTA linear probing accuracy 82.1% on ImageNet-1K and improves previous SoTA by 1.1%. It also surpasses SoTAs on other tasks, e.g. transfer learning, detection and segmentation.

Recent machine learning papers often report 1-2 percentage point improvements from a single run on a benchmark. These gains are highly sensitive to random seeds, data ordering, and implementation details, yet are rarely accompanied by uncertainty estimates or significance tests. It is therefore unclear when a reported +1-2% reflects a real algorithmic advance versus noise. We revisit this problem under realistic compute budgets, where only a few runs are affordable. We propose a simple, PC-friendly evaluation protocol based on paired multi-seed runs, bias-corrected and accelerated (BCa) bootstrap confidence intervals, and a sign-flip permutation test on per-seed deltas. The protocol is intentionally conservative and is meant as a guardrail against over-claiming. We instantiate it on CIFAR-10, CIFAR-10N, and AG News using synthetic no-improvement, small-gain, and medium-gain scenarios. Single runs and unpaired t-tests often suggest significant gains for 0.6-2.0 point improvements, especially on text. With only three seeds, our paired protocol never declares significance in these settings. We argue that such conservative evaluation is a safer default for small gains under tight budgets.

Language models for program synthesis are usually trained and evaluated on programming competition datasets (MBPP, APPS). However, these datasets are limited in size and quality, while these language models are extremely data hungry. Additionally, the language models have a misaligned program synthesis process compared to humans. While humans iteratively develop code with the help of a compiler, most program synthesis models currently produce code in one go. To solve these issues, we introduce a bootstrapping algorithm for program synthesis, that supports teaching models how to repair. We show that bootstrapping consistently outperforms regular fine-tuning. Compared to other work, our bootstrapped model performs on par with fine-tuned models that are 68\% larger. Notably, bootstrapping with repairing also improves non-repairing performance compared to regular bootstrapping during inference. However, on our models, repairing during inference is likely inferior to simply sampling the same number of solutions. Furthermore, we find that there are issues with the example test cases in the training portion of the APPS dataset that are valuable to the community, as many repairing and reinforcement learning methods rely on them.

Disagreement in annotation is a common phenomenon in the development of NLP datasets and serves as a valuable source of insight. While majority voting remains the dominant strategy for aggregating labels, recent work has explored modeling individual annotators to preserve their perspectives. However, modeling each annotator is resource-intensive and remains underexplored across various NLP tasks. We propose an agreement-based clustering technique to model the disagreement between the annotators. We conduct comprehensive experiments in 40 datasets in 18 typologically diverse languages, covering three subjective NLP tasks: sentiment analysis, emotion classification, and hate speech detection. We evaluate four aggregation approaches: majority vote, ensemble, multi-label, and multitask. The results demonstrate that agreement-based clustering can leverage the full spectrum of annotator perspectives and significantly enhance classification performance in subjective NLP tasks compared to majority voting and individual annotator modeling. Regarding the aggregation approach, the multi-label and multitask approaches are better for modeling clustered annotators than an ensemble and model majority vote.

We introduce a bootstrapping approach to train long-context language models by exploiting their short-context capabilities only. Our method utilizes a simple agent workflow to synthesize diverse long-context instruction tuning data, thereby eliminating the necessity for manual data collection and annotation. The proposed data synthesis workflow requires only a short-context language model, a text retriever, and a document collection, all of which are readily accessible within the open-source ecosystem. Subsequently, language models are fine-tuned using the synthesized data to extend their context lengths. In this manner, we effectively transfer the short-context capabilities of language models to long-context scenarios through a bootstrapping process. We conduct experiments with the open-source Llama-3 family of models and demonstrate that our method can successfully extend the context length to up to 1M tokens, achieving superior performance across various benchmarks.

The expressivity of Graph Neural Networks (GNNs) is dependent on the aggregation functions they employ. Theoretical works have pointed towards Sum aggregation GNNs subsuming every other GNNs, while certain practical works have observed a clear advantage to using Mean and Max. An examination of the theoretical guarantee identifies two caveats. First, it is size-restricted, that is, the power of every specific GNN is limited to graphs of a specific size. Successfully processing larger graphs may require an other GNN, and so on. Second, it concerns the power to distinguish non-isomorphic graphs, not the power to approximate general functions on graphs, and the former does not necessarily imply the latter. It is desired that a GNN's usability will not be limited to graphs of any specific size. Therefore, we explore the realm of unrestricted-size expressivity. We prove that basic functions, which can be computed exactly by Mean or Max GNNs, are inapproximable by any Sum GNN. We prove that under certain restrictions, every Mean or Max GNN can be approximated by a Sum GNN, but even there, a combination of (Sum, [Mean/Max]) is more expressive than Sum alone. Lastly, we prove further expressivity limitations for GNNs with a broad class of aggregations.

Despite being robust to small amounts of label noise, convolutional neural networks trained with stochastic gradient methods have been shown to easily fit random labels. When there are a mixture of correct and mislabelled targets, networks tend to fit the former before the latter. This suggests using a suitable two-component mixture model as an unsupervised generative model of sample loss values during training to allow online estimation of the probability that a sample is mislabelled. Specifically, we propose a beta mixture to estimate this probability and correct the loss by relying on the network prediction (the so-called bootstrapping loss). We further adapt mixup augmentation to drive our approach a step further. Experiments on CIFAR-10/100 and TinyImageNet demonstrate a robustness to label noise that substantially outperforms recent state-of-the-art. Source code is available at https://git.io/fjsvE

The k-means++ seeding algorithm (Arthur & Vassilvitskii, 2007) is widely used in practice for the k-means clustering problem where the goal is to cluster a dataset X subset R ^d into k clusters. The popularity of this algorithm is due to its simplicity and provable guarantee of being O(log k) competitive with the optimal solution in expectation. However, its running time is O(|X|kd), making it expensive for large datasets. In this work, we present a simple and effective rejection sampling based approach for speeding up k-means++. Our first method runs in time O(nnz (X) + beta k^2d) while still being O(log k ) competitive in expectation. Here, beta is a parameter which is the ratio of the variance of the dataset to the optimal k-means cost in expectation and O hides logarithmic factors in k and |X|. Our second method presents a new trade-off between computational cost and solution quality. It incurs an additional scale-invariant factor of k^{-Omega( m/beta)} Var (X) in addition to the O(log k) guarantee of k-means++ improving upon a result of (Bachem et al, 2016a) who get an additional factor of m^{-1}Var(X) while still running in time O(nnz(X) + mk^2d). We perform extensive empirical evaluations to validate our theoretical results and to show the effectiveness of our approach on real datasets.

Integrating information from different reference data sources is a major challenge for Retrieval-Augmented Generation (RAG) systems because each knowledge source adopts a unique data structure and follows different conventions. Retrieving from multiple knowledge sources with one fixed strategy usually leads to under-exploitation of information. To mitigate this drawback, inspired by Mix-of-Expert, we introduce Mix-of-Granularity (MoG), a method that dynamically determines the optimal granularity of a knowledge database based on input queries using a router. The router is efficiently trained with a newly proposed loss function employing soft labels. We further extend MoG to Mix-of-Granularity-Graph (MoGG), where reference documents are pre-processed into graphs, enabling the retrieval of relevant information from distantly situated chunks. Extensive experiments demonstrate that both MoG and MoGG effectively predict optimal granularity levels, significantly enhancing the performance of the RAG system in downstream tasks. The code of both MoG and MoGG will be made public.

Transformer has recently gained considerable popularity in low-level vision tasks, including image super-resolution (SR). These networks utilize self-attention along different dimensions, spatial or channel, and achieve impressive performance. This inspires us to combine the two dimensions in Transformer for a more powerful representation capability. Based on the above idea, we propose a novel Transformer model, Dual Aggregation Transformer (DAT), for image SR. Our DAT aggregates features across spatial and channel dimensions, in the inter-block and intra-block dual manner. Specifically, we alternately apply spatial and channel self-attention in consecutive Transformer blocks. The alternate strategy enables DAT to capture the global context and realize inter-block feature aggregation. Furthermore, we propose the adaptive interaction module (AIM) and the spatial-gate feed-forward network (SGFN) to achieve intra-block feature aggregation. AIM complements two self-attention mechanisms from corresponding dimensions. Meanwhile, SGFN introduces additional non-linear spatial information in the feed-forward network. Extensive experiments show that our DAT surpasses current methods. Code and models are obtainable at https://github.com/zhengchen1999/DAT.

Hierarchical structures are popular in recent vision transformers, however, they require sophisticated designs and massive datasets to work well. In this paper, we explore the idea of nesting basic local transformers on non-overlapping image blocks and aggregating them in a hierarchical way. We find that the block aggregation function plays a critical role in enabling cross-block non-local information communication. This observation leads us to design a simplified architecture that requires minor code changes upon the original vision transformer. The benefits of the proposed judiciously-selected design are threefold: (1) NesT converges faster and requires much less training data to achieve good generalization on both ImageNet and small datasets like CIFAR; (2) when extending our key ideas to image generation, NesT leads to a strong decoder that is 8times faster than previous transformer-based generators; and (3) we show that decoupling the feature learning and abstraction processes via this nested hierarchy in our design enables constructing a novel method (named GradCAT) for visually interpreting the learned model. Source code is available https://github.com/google-research/nested-transformer.

Recently, when dealing with high-resolution images, dominant LMMs usually divide them into multiple local images and one global image, which will lead to a large number of visual tokens. In this work, we introduce AVG-LLaVA, an LMM that can adaptively select the appropriate visual granularity based on the input image and instruction. This approach not only reduces the number of visual tokens and speeds up inference, but also improves the overall model performance. Specifically, we introduce the following modules based on LLaVA-NeXT: (a) a visual granularity scaler that includes multiple pooling layers to obtain visual tokens with different granularities; (b) a visual granularity router, which includes a Transformer layer, an MLP layer, and a voter layer, used to select the appropriate visual granularity based on the image and instruction. Furthermore, we propose RGLF, a novel training paradigm that aims at aligning the granularity predicted by the router with the preferences of the LMM, without the need for additional manually annotated data. Extensive experiments and analysis show that AVG-LLaVA achieves superior performance across 11 benchmarks, as well as significantly reduces the number of visual tokens and speeds up inference (e.g., an 85.3% reduction in visual tokens and a 2.53times increase in inference speed on the AI2D benchmark).

Deep learning has achieved impressive performance in many domains, such as computer vision and natural language processing, but its advantage over classical shallow methods on tabular datasets remains questionable. It is especially challenging to surpass the performance of tree-like ensembles, such as XGBoost or Random Forests, on small-sized datasets (less than 1k samples). To tackle this challenge, we introduce HyperTab, a hypernetwork-based approach to solving small sample problems on tabular datasets. By combining the advantages of Random Forests and neural networks, HyperTab generates an ensemble of neural networks, where each target model is specialized to process a specific lower-dimensional view of the data. Since each view plays the role of data augmentation, we virtually increase the number of training samples while keeping the number of trainable parameters unchanged, which prevents model overfitting. We evaluated HyperTab on more than 40 tabular datasets of a varying number of samples and domains of origin, and compared its performance with shallow and deep learning models representing the current state-of-the-art. We show that HyperTab consistently outranks other methods on small data (with a statistically significant difference) and scores comparable to them on larger datasets. We make a python package with the code available to download at https://pypi.org/project/hypertab/

Class-imbalanced learning (CIL) on tabular data is important in many real-world applications where the minority class holds the critical but rare outcomes. In this paper, we present CLIMB, a comprehensive benchmark for class-imbalanced learning on tabular data. CLIMB includes 73 real-world datasets across diverse domains and imbalance levels, along with unified implementations of 29 representative CIL algorithms. Built on a high-quality open-source Python package with unified API designs, detailed documentation, and rigorous code quality controls, CLIMB supports easy implementation and comparison between different CIL algorithms. Through extensive experiments, we provide practical insights on method accuracy and efficiency, highlighting the limitations of naive rebalancing, the effectiveness of ensembles, and the importance of data quality. Our code, documentation, and examples are available at https://github.com/ZhiningLiu1998/imbalanced-ensemble.

Combining different models is a widely used paradigm in machine learning applications. While the most common approach is to form an ensemble of models and average their individual predictions, this approach is often rendered infeasible by given resource constraints in terms of memory and computation, which grow linearly with the number of models. We present a layer-wise model fusion algorithm for neural networks that utilizes optimal transport to (soft-) align neurons across the models before averaging their associated parameters. We show that this can successfully yield "one-shot" knowledge transfer (i.e, without requiring any retraining) between neural networks trained on heterogeneous non-i.i.d. data. In both i.i.d. and non-i.i.d. settings , we illustrate that our approach significantly outperforms vanilla averaging, as well as how it can serve as an efficient replacement for the ensemble with moderate fine-tuning, for standard convolutional networks (like VGG11), residual networks (like ResNet18), and multi-layer perceptrons on CIFAR10, CIFAR100, and MNIST. Finally, our approach also provides a principled way to combine the parameters of neural networks with different widths, and we explore its application for model compression. The code is available at the following link, https://github.com/sidak/otfusion.

Recent progress in weakly supervised object detection is featured by a combination of multiple instance detection networks (MIDN) and ordinal online refinement. However, with only image-level annotation, MIDN inevitably assigns high scores to some unexpected region proposals when generating pseudo labels. These inaccurate high-scoring region proposals will mislead the training of subsequent refinement modules and thus hamper the detection performance. In this work, we explore how to ameliorate the quality of pseudo-labeling in MIDN. Formally, we devise Cyclic-Bootstrap Labeling (CBL), a novel weakly supervised object detection pipeline, which optimizes MIDN with rank information from a reliable teacher network. Specifically, we obtain this teacher network by introducing a weighted exponential moving average strategy to take advantage of various refinement modules. A novel class-specific ranking distillation algorithm is proposed to leverage the output of weighted ensembled teacher network for distilling MIDN with rank information. As a result, MIDN is guided to assign higher scores to accurate proposals among their neighboring ones, thus benefiting the subsequent pseudo labeling. Extensive experiments on the prevalent PASCAL VOC 2007 \& 2012 and COCO datasets demonstrate the superior performance of our CBL framework. Code will be available at https://github.com/Yinyf0804/WSOD-CBL/.

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.

Selecting an effective training signal for machine learning tasks is difficult: expert annotations are expensive, and crowd-sourced annotations may not be reliable. Recent work has demonstrated that learning from a distribution over labels acquired from crowd annotations can be effective both for performance and uncertainty estimation. However, this has mainly been studied using a limited set of soft-labeling methods in an in-domain setting. Additionally, no one method has been shown to consistently perform well across tasks, making it difficult to know a priori which to choose. To fill these gaps, this paper provides the first large-scale empirical study on learning from crowd labels in the out-of-domain setting, systematically analyzing 8 soft-labeling methods on 4 language and vision tasks. Additionally, we propose to aggregate soft-labels via a simple average in order to achieve consistent performance across tasks. We demonstrate that this yields classifiers with improved predictive uncertainty estimation in most settings while maintaining consistent raw performance compared to learning from individual soft-labeling methods or taking a majority vote of the annotations. We additionally highlight that in regimes with abundant or minimal training data, the selection of soft labeling method is less important, while for highly subjective labels and moderate amounts of training data, aggregation yields significant improvements in uncertainty estimation over individual methods. Code can be found at https://github.com/copenlu/aggregating-crowd-annotations-ood.

Feature fusion plays a crucial role in unconstrained face recognition where inputs (probes) comprise of a set of N low quality images whose individual qualities vary. Advances in attention and recurrent modules have led to feature fusion that can model the relationship among the images in the input set. However, attention mechanisms cannot scale to large N due to their quadratic complexity and recurrent modules suffer from input order sensitivity. We propose a two-stage feature fusion paradigm, Cluster and Aggregate, that can both scale to large N and maintain the ability to perform sequential inference with order invariance. Specifically, Cluster stage is a linear assignment of N inputs to M global cluster centers, and Aggregation stage is a fusion over M clustered features. The clustered features play an integral role when the inputs are sequential as they can serve as a summarization of past features. By leveraging the order-invariance of incremental averaging operation, we design an update rule that achieves batch-order invariance, which guarantees that the contributions of early image in the sequence do not diminish as time steps increase. Experiments on IJB-B and IJB-S benchmark datasets show the superiority of the proposed two-stage paradigm in unconstrained face recognition. Code and pretrained models are available in https://github.com/mk-minchul/caface

In federated learning (FL), weighted aggregation of local models is conducted to generate a global model, and the aggregation weights are normalized (the sum of weights is 1) and proportional to the local data sizes. In this paper, we revisit the weighted aggregation process and gain new insights into the training dynamics of FL. First, we find that the sum of weights can be smaller than 1, causing global weight shrinking effect (analogous to weight decay) and improving generalization. We explore how the optimal shrinking factor is affected by clients' data heterogeneity and local epochs. Second, we dive into the relative aggregation weights among clients to depict the clients' importance. We develop client coherence to study the learning dynamics and find a critical point that exists. Before entering the critical point, more coherent clients play more essential roles in generalization. Based on the above insights, we propose an effective method for Federated Learning with Learnable Aggregation Weights, named as FedLAW. Extensive experiments verify that our method can improve the generalization of the global model by a large margin on different datasets and models.

We introduce a novel architecture design that enhances expressiveness by incorporating multiple head classifiers (\ie, classification heads) instead of relying on channel expansion or additional building blocks. Our approach employs attention-based aggregation, utilizing pairwise feature similarity to enhance multiple lightweight heads with minimal resource overhead. We compute the Gramian matrices to reinforce class tokens in an attention layer for each head. This enables the heads to learn more discriminative representations, enhancing their aggregation capabilities. Furthermore, we propose a learning algorithm that encourages heads to complement each other by reducing correlation for aggregation. Our models eventually surpass state-of-the-art CNNs and ViTs regarding the accuracy-throughput trade-off on ImageNet-1K and deliver remarkable performance across various downstream tasks, such as COCO object instance segmentation, ADE20k semantic segmentation, and fine-grained visual classification datasets. The effectiveness of our framework is substantiated by practical experimental results and further underpinned by generalization error bound. We release the code publicly at: https://github.com/Lab-LVM/imagenet-models.

Machine learning models often perform poorly on subgroups that are underrepresented in the training data. Yet, little is understood on the variation in mechanisms that cause subpopulation shifts, and how algorithms generalize across such diverse shifts at scale. In this work, we provide a fine-grained analysis of subpopulation shift. We first propose a unified framework that dissects and explains common shifts in subgroups. We then establish a comprehensive benchmark of 20 state-of-the-art algorithms evaluated on 12 real-world datasets in vision, language, and healthcare domains. With results obtained from training over 10,000 models, we reveal intriguing observations for future progress in this space. First, existing algorithms only improve subgroup robustness over certain types of shifts but not others. Moreover, while current algorithms rely on group-annotated validation data for model selection, we find that a simple selection criterion based on worst-class accuracy is surprisingly effective even without any group information. Finally, unlike existing works that solely aim to improve worst-group accuracy (WGA), we demonstrate the fundamental tradeoff between WGA and other important metrics, highlighting the need to carefully choose testing metrics. Code and data are available at: https://github.com/YyzHarry/SubpopBench.

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

Self-supervised learning, which learns by constructing artificial labels given only the input signals, has recently gained considerable attention for learning representations with unlabeled datasets, i.e., learning without any human-annotated supervision. In this paper, we show that such a technique can be used to significantly improve the model accuracy even under fully-labeled datasets. Our scheme trains the model to learn both original and self-supervised tasks, but is different from conventional multi-task learning frameworks that optimize the summation of their corresponding losses. Our main idea is to learn a single unified task with respect to the joint distribution of the original and self-supervised labels, i.e., we augment original labels via self-supervision of input transformation. This simple, yet effective approach allows to train models easier by relaxing a certain invariant constraint during learning the original and self-supervised tasks simultaneously. It also enables an aggregated inference which combines the predictions from different augmentations to improve the prediction accuracy. Furthermore, we propose a novel knowledge transfer technique, which we refer to as self-distillation, that has the effect of the aggregated inference in a single (faster) inference. We demonstrate the large accuracy improvement and wide applicability of our framework on various fully-supervised settings, e.g., the few-shot and imbalanced classification scenarios.

Prediction of future movement of stock prices has always been a challenging task for the researchers. While the advocates of the efficient market hypothesis (EMH) believe that it is impossible to design any predictive framework that can accurately predict the movement of stock prices, there are seminal work in the literature that have clearly demonstrated that the seemingly random movement patterns in the time series of a stock price can be predicted with a high level of accuracy. Design of such predictive models requires choice of appropriate variables, right transformation methods of the variables, and tuning of the parameters of the models. In this work, we present a very robust and accurate framework of stock price prediction that consists of an agglomeration of statistical, machine learning and deep learning models. We use the daily stock price data, collected at five minutes interval of time, of a very well known company that is listed in the National Stock Exchange (NSE) of India. The granular data is aggregated into three slots in a day, and the aggregated data is used for building and training the forecasting models. We contend that the agglomerative approach of model building that uses a combination of statistical, machine learning, and deep learning approaches, can very effectively learn from the volatile and random movement patterns in a stock price data. We build eight classification and eight regression models based on statistical and machine learning approaches. In addition to these models, a deep learning regression model using a long-and-short-term memory (LSTM) network is also built. Extensive results have been presented on the performance of these models, and the results are critically analyzed.

The convolution layer has been the dominant feature extractor in computer vision for years. However, the spatial aggregation in convolution is basically a pattern matching process that applies fixed filters which are inefficient at modeling visual elements with varying spatial distributions. This paper presents a new image feature extractor, called the local relation layer, that adaptively determines aggregation weights based on the compositional relationship of local pixel pairs. With this relational approach, it can composite visual elements into higher-level entities in a more efficient manner that benefits semantic inference. A network built with local relation layers, called the Local Relation Network (LR-Net), is found to provide greater modeling capacity than its counterpart built with regular convolution on large-scale recognition tasks such as ImageNet classification.

We study a capability the dominant paradigm in synthetic tabular data does not provide: exact satisfaction of a declared analytical outcome with no source data. Imitation methods (copulas, GANs, diffusion) learn a real distribution and sample from it, and are judged on fidelity to real data. A large, practical class of needs is different: generating data with no source data ("cold start") that reproduces a declared outcome (a revenue curve, a churn rate, a group share) across a relational schema. Off-the-shelf imitation tools offer no interface for such targets, and no sampler can hit an exact aggregate, because sampling has variance. On a real public dataset, off-the-shelf learned synthesizers trained on that very data miss the declared monthly aggregate by 74 to 86 percent; a per-period steelman cuts the miss to about 19 percent and still cannot reach 0; a closed-form generator reaches exactly 0. We name this task outcome-conformant synthesis, argue its evaluation axis is conformance rather than fidelity, and show the two axes are orthogonal. We contribute: (1) a formal account showing a widely-used family of exact-aggregate generators is exactly conditional-sum sampling of a Gamma population (via Lukacs' characterization), with closed-form exactness, a closed-form marginal CV, and scale-invariance; a controlled experiment maps the boundary, enforcing the exact aggregate costs at most 0.006 in 1-Wasserstein distance to an arbitrary external marginal, the rest being shape-family mismatch; (2) SpecBench, to our knowledge the first benchmark to measure conformance to analytical outcomes for cold-start relational synthesis; and (3) a closed-form, deterministic reference system. Exact aggregation alone is trivial; the contribution is conformance jointly with closed-form marginals, integrity, determinism, and zero source data. We concede fidelity to imitation where real data exists.

In this paper, we consider the problem of composed image retrieval (CIR), it aims to train a model that can fuse multi-modal information, e.g., text and images, to accurately retrieve images that match the query, extending the user's expression ability. We make the following contributions: (i) we initiate a scalable pipeline to automatically construct datasets for training CIR model, by simply exploiting a large-scale dataset of image-text pairs, e.g., a subset of LAION-5B; (ii) we introduce a transformer-based adaptive aggregation model, TransAgg, which employs a simple yet efficient fusion mechanism, to adaptively combine information from diverse modalities; (iii) we conduct extensive ablation studies to investigate the usefulness of our proposed data construction procedure, and the effectiveness of core components in TransAgg; (iv) when evaluating on the publicly available benckmarks under the zero-shot scenario, i.e., training on the automatically constructed datasets, then directly conduct inference on target downstream datasets, e.g., CIRR and FashionIQ, our proposed approach either performs on par with or significantly outperforms the existing state-of-the-art (SOTA) models. Project page: https://code-kunkun.github.io/ZS-CIR/

In the past two years, several points of view have been proposed to address the question of the generalization of the theory of free probability to random tensors with different invariances, and it is unclear at this point whether they lead to the same notions of tensorial free cumulants and freeness. One way to approach this problem, developed by Collins, Gurau and the second named author for local unitary invariant random tensors, relies on finite size quantities involving averages over the invariance group, and whose asymptotics naturally possess the properties expected for tensorial generalizations of free cumulants of arbitrary orders. At this point, this approach has only been carried out for certain distributions, and for a subset of the moments that define such theories, and a more systematic and exhaustive study is lacking. This is the program initiated in this paper: we link this approach to the one proposed by Nechita and Park; extend a number of their results as well as those of the aforementioned paper to arbitrary orders of fluctuations, thereby generalizing higher order free cumulants; push further the study of distributions with larger invariance groups; detail the link with the asymptotics of the free-energies of the tensor HCIZ and BGW integrals; and provide formulae for tensorial free cumulants of products of tensors. Another important question is that of the definition of concrete distributions whose tensorial free-cumulants take non-trivial values. We compute the tensorial free cumulants for Gaussian random tensors with non-trivial covariances, and show that they provide such examples.

Visual Place Recognition (VPR) aims to match query images against a database using visual cues. State-of-the-art methods aggregate features from deep backbones to form global descriptors. Optimal transport-based aggregation methods reformulate feature-to-cluster assignment as a transport problem, but the standard Sinkhorn algorithm symmetrically treats source and target marginals, limiting effectiveness when image features and cluster centers exhibit substantially different distributions. We propose an asymmetric aggregation VPR method with geometric constraints for locally aggregated descriptors, called A^2GC-VPR. Our method employs row-column normalization averaging with separate marginal calibration, enabling asymmetric matching that adapts to distributional discrepancies in visual place recognition. Geometric constraints are incorporated through learnable coordinate embeddings, computing compatibility scores fused with feature similarities, thereby promoting spatially proximal features to the same cluster and enhancing spatial awareness. Experimental results on MSLS, NordLand, and Pittsburgh datasets demonstrate superior performance, validating the effectiveness of our approach in improving matching accuracy and robustness.

For safety, medical AI systems undergo thorough evaluations before deployment, validating their predictions against a ground truth which is assumed to be fixed and certain. However, this ground truth is often curated in the form of differential diagnoses. While a single differential diagnosis reflects the uncertainty in one expert assessment, multiple experts introduce another layer of uncertainty through disagreement. Both forms of uncertainty are ignored in standard evaluation which aggregates these differential diagnoses to a single label. In this paper, we show that ignoring uncertainty leads to overly optimistic estimates of model performance, therefore underestimating risk associated with particular diagnostic decisions. To this end, we propose a statistical aggregation approach, where we infer a distribution on probabilities of underlying medical condition candidates themselves, based on observed annotations. This formulation naturally accounts for the potential disagreements between different experts, as well as uncertainty stemming from individual differential diagnoses, capturing the entire ground truth uncertainty. Our approach boils down to generating multiple samples of medical condition probabilities, then evaluating and averaging performance metrics based on these sampled probabilities. In skin condition classification, we find that a large portion of the dataset exhibits significant ground truth uncertainty and standard evaluation severely over-estimates performance without providing uncertainty estimates. In contrast, our framework provides uncertainty estimates on common metrics of interest such as top-k accuracy and average overlap, showing that performance can change multiple percentage points. We conclude that, while assuming a crisp ground truth can be acceptable for many AI applications, a more nuanced evaluation protocol should be utilized in medical diagnosis.

This paper presents a novel technique based on gradient boosting to train the final layers of a neural network (NN). Gradient boosting is an additive expansion algorithm in which a series of models are trained sequentially to approximate a given function. A neural network can also be seen as an additive expansion where the scalar product of the responses of the last hidden layer and its weights provide the final output of the network. Instead of training the network as a whole, the proposed algorithm trains the network sequentially in T steps. First, the bias term of the network is initialized with a constant approximation that minimizes the average loss of the data. Then, at each step, a portion of the network, composed of J neurons, is trained to approximate the pseudo-residuals on the training data computed from the previous iterations. Finally, the T partial models and bias are integrated as a single NN with T times J neurons in the hidden layer. Extensive experiments in classification and regression tasks, as well as in combination with deep neural networks, are carried out showing a competitive generalization performance with respect to neural networks trained with different standard solvers, such as Adam, L-BFGS, SGD and deep models. Furthermore, we show that the proposed method design permits to switch off a number of hidden units during test (the units that were last trained) without a significant reduction of its generalization ability. This permits the adaptation of the model to different classification speed requirements on the fly.

We introduce ensembles within score-based sampling methods to develop gradient-free approximate sampling techniques that leverage the collective dynamics of particle ensembles to compute approximate reverse diffusion drifts. We introduce the underlying methodology, emphasizing its relationship with generative diffusion models and the previously introduced F\"ollmer sampler. We demonstrate the efficacy of ensemble strategies through various examples, ranging from low- to medium-dimensionality sampling problems, including multi-modal and highly non-Gaussian probability distributions, and provide comparisons to traditional methods like NUTS. Our findings highlight the potential of ensemble strategies for modeling complex probability distributions in situations where gradients are unavailable. Finally, we showcase its application in the context of Bayesian inversion problems within the geophysical sciences.

Best-of-N inference scaling (drawing N candidate answers from a language model and returning the one a reward model ranks highest) improves accuracy by an amount that varies across models, but predicting that amount in advance currently requires running the procedure end-to-end. Prior work links cheap statistics of a model's sampled outputs and validation-set correctness (how often samples agree, how diverse they are, how confident the model is, and where correct samples appear) to model behavior, but does not isolate which of these form a stable, compact predictor of best-of-N gain. We fit ridge predictors on features computed from a single labeled validation-set sampling pass, use bootstrap-Lasso as a stability analysis of the candidate feature set, and give a concentration analysis with an explicit linear-approximation residual. Across three base-model families, six post-training methods, and math and reasoning task domains, the stability analysis identifies a strict three-feature core spanning prompt-level agreement spread, label-assisted first-correct-sample position, and completion-length variance; a compact ridge predictor built from this core plus an entropy add-on reaches Spearman ρ= 0.90 with actual best-of-N gain under a reward-model verifier. The intended use is labeled validation-set screening of candidate configurations before paying the full reward-model scoring cost.