Daily Papers

Although diffusion models (DMs) have shown promising performances in a number of tasks (e.g., speech synthesis and image generation), they might suffer from error propagation because of their sequential structure. However, this is not certain because some sequential models, such as Conditional Random Field (CRF), are free from this problem. To address this issue, we develop a theoretical framework to mathematically formulate error propagation in the architecture of DMs, The framework contains three elements, including modular error, cumulative error, and propagation equation. The modular and cumulative errors are related by the equation, which interprets that DMs are indeed affected by error propagation. Our theoretical study also suggests that the cumulative error is closely related to the generation quality of DMs. Based on this finding, we apply the cumulative error as a regularization term to reduce error propagation. Because the term is computationally intractable, we derive its upper bound and design a bootstrap algorithm to efficiently estimate the bound for optimization. We have conducted extensive experiments on multiple image datasets, showing that our proposed regularization reduces error propagation, significantly improves vanilla DMs, and outperforms previous baselines.

Symmetries play a central role in quantum many-body physics, yet uncovering them systematically remains challenging. We introduce a bootstrap framework designed to reconstruct the representation theory of hidden finite group symmetries of quantum many-body lattice Hamiltonians, using only a known symmetry subgroup N and spectral correlations between its symmetry sectors. We introduce a novel variant of the spectral form factor, the cross spectral form factor (xSFF), which we compute via exact diagonalization to seed the bootstrap algorithm. By applying the constraints derived from these data alongside the algebraic conditions of the fusion rules, our bootstrap procedure sharply restricts the set of candidate groups G. Remarkably, without any prior assumptions regarding the full symmetry group G, our method can systematically recover its representation-theoretic data, including the number and dimensions of the irreducible representations, their branching rules with respect to N, the fusion algebra, and the full character table. This framework applies equally well to chaotic and integrable many-body systems and accommodates both unitary and anti-unitary symmetries. Through various examples, we demonstrate that the underlying group G can be uniquely identified. In particular, our bootstrap independently recovers the Z_4 symmetry at the self-dual point of the three-state quantum torus chain, detects signatures of projective representations in the effective Hamiltonian of the driven Bose-Hubbard model, and rediscovers the η-pairing SO(4) symmetry of the one-dimensional Fermi-Hubbard model. Our framework thus establishes a practical route to identify symmetries directly from dynamical spectral observables.

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.

We introduce the use of reinforcement-learning (RL) techniques to the conformal-bootstrap programme. We demonstrate that suitable soft Actor-Critic RL algorithms can perform efficient, relatively cheap high-dimensional searches in the space of scaling dimensions and OPE-squared coefficients that produce sensible results for tens of CFT data from a single crossing equation. In this paper we test this approach in well-known 2D CFTs, with particular focus on the Ising and tri-critical Ising models and the free compactified boson CFT. We present results of as high as 36-dimensional searches, whose sole input is the expected number of operators per spin in a truncation of the conformal-block decomposition of the crossing equations. Our study of 2D CFTs uses only the global so(2,2) part of the conformal algebra, and our methods are equally applicable to higher-dimensional CFTs. When combined with other, already available, numerical and analytical methods, we expect our approach to yield an exciting new window into the non-perturbative structure of arbitrary (unitary or non-unitary) CFTs.

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.

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.

This paper presents a novel approach to calculating the Levenshtein (edit) distance within the framework of Fully Homomorphic Encryption (FHE), specifically targeting third-generation schemes like TFHE. Edit distance computations are essential in applications across finance and genomics, such as DNA sequence alignment. We introduce an optimised algorithm that significantly reduces the cost of edit distance calculations called Leuvenshtein. This algorithm specifically reduces the number of programmable bootstraps (PBS) needed per cell of the calculation, lowering it from approximately 94 operations -- required by the conventional Wagner-Fisher algorithm -- to just 1. Additionally, we propose an efficient method for performing equality checks on characters, reducing ASCII character comparisons to only 2 PBS operations. Finally, we explore the potential for further performance improvements by utilising preprocessing when one of the input strings is unencrypted. Our Leuvenshtein achieves up to 278times faster performance compared to the best available TFHE implementation and up to 39times faster than an optimised implementation of the Wagner-Fisher algorithm. Moreover, when offline preprocessing is possible due to the presence of one unencrypted input on the server side, an additional 3times speedup can be achieved.

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/.

Large language models (LLMs) have fueled many intelligent agent tasks, such as web navigation -- but most existing agents perform far from satisfying in real-world webpages due to three factors: (1) the versatility of actions on webpages, (2) HTML text exceeding model processing capacity, and (3) the complexity of decision-making due to the open-domain nature of web. In light of the challenge, we develop AutoWebGLM, a GPT-4-outperforming automated web navigation agent built upon ChatGLM3-6B. Inspired by human browsing patterns, we design an HTML simplification algorithm to represent webpages, preserving vital information succinctly. We employ a hybrid human-AI method to build web browsing data for curriculum training. Then, we bootstrap the model by reinforcement learning and rejection sampling to further facilitate webpage comprehension, browser operations, and efficient task decomposition by itself. For testing, we establish a bilingual benchmark -- AutoWebBench -- for real-world web browsing tasks. We evaluate AutoWebGLM across diverse web navigation benchmarks, revealing its improvements but also underlying challenges to tackle real environments. Related code, model, and data will be released at https://github.com/THUDM/AutoWebGLM.

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.

We propose a method for meta-learning reinforcement learning algorithms by searching over the space of computational graphs which compute the loss function for a value-based model-free RL agent to optimize. The learned algorithms are domain-agnostic and can generalize to new environments not seen during training. Our method can both learn from scratch and bootstrap off known existing algorithms, like DQN, enabling interpretable modifications which improve performance. Learning from scratch on simple classical control and gridworld tasks, our method rediscovers the temporal-difference (TD) algorithm. Bootstrapped from DQN, we highlight two learned algorithms which obtain good generalization performance over other classical control tasks, gridworld type tasks, and Atari games. The analysis of the learned algorithm behavior shows resemblance to recently proposed RL algorithms that address overestimation in value-based methods.

In this paper we propose a new approach to detect clusters in undirected graphs with attributed vertices. We incorporate structural and attribute similarities between the vertices in an augmented graph by creating additional vertices and edges as proposed in [1, 2]. The augmented graph is then embedded in a Euclidean space associated to its Laplacian and we cluster vertices via a modified K-means algorithm, using a new vector-valued distance in the embedding space. Main novelty of our method, which can be classified as an early fusion method, i.e., a method in which additional information on vertices are fused to the structure information before applying clustering, is the interpretation of attributes as new realizations of graph vertices, which can be dealt with as coordinate vectors in a related Euclidean space. This allows us to extend a scalable generalized spectral clustering procedure which substitutes graph Laplacian eigenvectors with some vectors, named algebraically smooth vectors, obtained by a linear-time complexity Algebraic MultiGrid (AMG) method. We discuss the performance of our proposed clustering method by comparison with recent literature approaches and public available results. Extensive experiments on different types of synthetic datasets and real-world attributed graphs show that our new algorithm, embedding attributes information in the clustering, outperforms structure-only-based methods, when the attributed network has an ambiguous structure. Furthermore, our new method largely outperforms the method which originally proposed the graph augmentation, showing that our embedding strategy and vector-valued distance are very effective in taking advantages from the augmented-graph representation.

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.

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.

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.

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.

Minimum Bayes risk (MBR) decoding outputs the hypothesis with the highest expected utility over the model distribution for some utility function. It has been shown to improve accuracy over beam search in conditional language generation problems and especially neural machine translation, in both human and automatic evaluations. However, the standard sampling-based algorithm for MBR is substantially more computationally expensive than beam search, requiring a large number of samples as well as a quadratic number of calls to the utility function, limiting its applicability. We describe an algorithm for MBR which gradually grows the number of samples used to estimate the utility while pruning hypotheses that are unlikely to have the highest utility according to confidence estimates obtained with bootstrap sampling. Our method requires fewer samples and drastically reduces the number of calls to the utility function compared to standard MBR while being statistically indistinguishable in terms of accuracy. We demonstrate the effectiveness of our approach in experiments on three language pairs, using chrF++ and COMET as utility/evaluation metrics.

As machine learning (ML) enters high-stakes domains, trustworthy uncertainty quantification (UQ) is essential for safety. In this paper we introduce PCS-UQ, a framework based on the Predictability, Computability, and Stability (PCS) principles for veridical data science. Starting with a candidate set of models or algorithms, PCS-UQ integrates a rigorous prediction-check to screen out unsuitable models in the set and utilizes bootstrap samples, in order to capture both inter-sample variability and algorithmic instability for the prediction-checked algorithms. We then introduce a novel multiplicative calibration scheme to enhance local adaptivity, which basically corresponds to a new score in conformal prediction. Moreover, we produce a compilation of 17 real-world regression datasets with manually-constructed subgroups. On this benchmark, PCS-UQ maintains the target coverage while outperforming or matching conformal methods equipped with oracle-selected algorithms in interval width. PCS-UQ achieves consistent subgroup coverage, outperforming these oracle-selected conformal methods. Notably, PCS-UQ stands out in achieving both competitive interval widths and consistent subgroup coverage.Across 6 classification datasets, PCS-UQ reduces prediction set sizes by 20\%. To scale the framework for deep learning, we propose computationally efficient variants that bypass expensive retraining. On three computer vision benchmarks, these variants reduce prediction set sizes by 20\% over conformal baselines. Finally, we provide theoretical proof that a modified PCS-UQ algorithm preserves valid coverage under exchangeability as a form of split conformal inference.

In this paper we deploy for the first time Reinforcement-Learning algorithms in the context of the conformal-bootstrap programme to obtain numerical solutions of conformal field theories (CFTs). As an illustration, we use a soft Actor-Critic algorithm and find approximate solutions to the truncated crossing equations of two-dimensional CFTs, successfully identifying well-known theories like the 2D Ising model and the 2D CFT of a compactified scalar. Our methods can perform efficient high-dimensional searches that can be used to study arbitrary (unitary or non-unitary) CFTs in any spacetime dimension.

Consistently checking the statistical significance of experimental results is one of the mandatory methodological steps to address the so-called "reproducibility crisis" in deep reinforcement learning. In this tutorial paper, we explain how the number of random seeds relates to the probabilities of statistical errors. For both the t-test and the bootstrap confidence interval test, we recall theoretical guidelines to determine the number of random seeds one should use to provide a statistically significant comparison of the performance of two algorithms. Finally, we discuss the influence of deviations from the assumptions usually made by statistical tests. We show that they can lead to inaccurate evaluations of statistical errors and provide guidelines to counter these negative effects. We make our code available to perform the tests.

Inverse Kinematics (IK) systems are often rigid with respect to their input character, thus requiring user intervention to be adapted to new skeletons. In this paper we aim at creating a flexible, learned IK solver applicable to a wide variety of human morphologies. We extend a state-of-the-art machine learning IK solver to operate on the well known Skinned Multi-Person Linear model (SMPL). We call our model SMPL-IK, and show that when integrated into real-time 3D software, this extended system opens up opportunities for defining novel AI-assisted animation workflows. For example, pose authoring can be made more flexible with SMPL-IK by allowing users to modify gender and body shape while posing a character. Additionally, when chained with existing pose estimation algorithms, SMPL-IK accelerates posing by allowing users to bootstrap 3D scenes from 2D images while allowing for further editing. Finally, we propose a novel SMPL Shape Inversion mechanism (SMPL-SI) to map arbitrary humanoid characters to the SMPL space, allowing artists to leverage SMPL-IK on custom characters. In addition to qualitative demos showing proposed tools, we present quantitative SMPL-IK baselines on the H36M and AMASS datasets.

Voice cloning is a difficult task which requires robust and informative features incorporated in a high quality TTS system in order to effectively copy an unseen speaker's voice. In our work, we utilize features learned in a self-supervised framework via the Bootstrap Your Own Latent (BYOL) method, which is shown to produce high quality speech representations when specific audio augmentations are applied to the vanilla algorithm. We further extend the augmentations in the training procedure to aid the resulting features to capture the speaker identity and to make them robust to noise and acoustic conditions. The learned features are used as pre-trained utterance-level embeddings and as inputs to a Non-Attentive Tacotron based architecture, aiming to achieve multispeaker speech synthesis without utilizing additional speaker features. This method enables us to train our model in an unlabeled multispeaker dataset as well as use unseen speaker embeddings to copy a speaker's voice. Subjective and objective evaluations are used to validate the proposed model, as well as the robustness to the acoustic conditions of the target utterance.

We propose the Bayes-UCBVI algorithm for reinforcement learning in tabular, stage-dependent, episodic Markov decision process: a natural extension of the Bayes-UCB algorithm by Kaufmann et al. (2012) for multi-armed bandits. Our method uses the quantile of a Q-value function posterior as upper confidence bound on the optimal Q-value function. For Bayes-UCBVI, we prove a regret bound of order O(H^3SAT) where H is the length of one episode, S is the number of states, A the number of actions, T the number of episodes, that matches the lower-bound of Ω(H^3SAT) up to poly-log terms in H,S,A,T for a large enough T. To the best of our knowledge, this is the first algorithm that obtains an optimal dependence on the horizon H (and S) without the need for an involved Bernstein-like bonus or noise. Crucial to our analysis is a new fine-grained anti-concentration bound for a weighted Dirichlet sum that can be of independent interest. We then explain how Bayes-UCBVI can be easily extended beyond the tabular setting, exhibiting a strong link between our algorithm and Bayesian bootstrap (Rubin, 1981).

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.

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.

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 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.

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}.

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.

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 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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

This book introduces the mathematical foundations and techniques that lead to the development and analysis of many of the algorithms that are used in machine learning. It starts with an introductory chapter that describes notation used throughout the book and serve at a reminder of basic concepts in calculus, linear algebra and probability and also introduces some measure theoretic terminology, which can be used as a reading guide for the sections that use these tools. The introductory chapters also provide background material on matrix analysis and optimization. The latter chapter provides theoretical support to many algorithms that are used in the book, including stochastic gradient descent, proximal methods, etc. After discussing basic concepts for statistical prediction, the book includes an introduction to reproducing kernel theory and Hilbert space techniques, which are used in many places, before addressing the description of various algorithms for supervised statistical learning, including linear methods, support vector machines, decision trees, boosting, or neural networks. The subject then switches to generative methods, starting with a chapter that presents sampling methods and an introduction to the theory of Markov chains. The following chapter describe the theory of graphical models, an introduction to variational methods for models with latent variables, and to deep-learning based generative models. The next chapters focus on unsupervised learning methods, for clustering, factor analysis and manifold learning. The final chapter of the book is theory-oriented and discusses concentration inequalities and generalization bounds.

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.

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.

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

This paper presents the key algorithmic techniques behind CatBoost, a new gradient boosting toolkit. Their combination leads to CatBoost outperforming other publicly available boosting implementations in terms of quality on a variety of datasets. Two critical algorithmic advances introduced in CatBoost are the implementation of ordered boosting, a permutation-driven alternative to the classic algorithm, and an innovative algorithm for processing categorical features. Both techniques were created to fight a prediction shift caused by a special kind of target leakage present in all currently existing implementations of gradient boosting algorithms. In this paper, we provide a detailed analysis of this problem and demonstrate that proposed algorithms solve it effectively, leading to excellent empirical results.

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 study the connection between multicalibration and boosting for squared error regression. First we prove a useful characterization of multicalibration in terms of a ``swap regret'' like condition on squared error. Using this characterization, we give an exceedingly simple algorithm that can be analyzed both as a boosting algorithm for regression and as a multicalibration algorithm for a class H that makes use only of a standard squared error regression oracle for H. We give a weak learning assumption on H that ensures convergence to Bayes optimality without the need to make any realizability assumptions -- giving us an agnostic boosting algorithm for regression. We then show that our weak learning assumption on H is both necessary and sufficient for multicalibration with respect to H to imply Bayes optimality. We also show that if H satisfies our weak learning condition relative to another class C then multicalibration with respect to H implies multicalibration with respect to C. Finally we investigate the empirical performance of our algorithm experimentally using an open source implementation that we make available. Our code repository can be found at https://github.com/Declancharrison/Level-Set-Boosting.

Large linear systems play an important role in high-energy theory, appearing in amplitude bootstraps and during integral reduction. This paper introduces FiniteFieldSolve, a general-purpose toolkit for exactly solving large linear systems over the rationals. The solver interfaces directly with Mathematica, is straightforward to install, and seamlessly replaces Mathematica's native solvers. In testing, FiniteFieldSolve is approximately two orders of magnitude faster than Mathematica and uses an order of magnitude less memory. The package also compares favorably against other public solvers in FiniteFieldSolve's intended use cases. As the name of the package suggests, solutions are obtained via well-known finite field methods. These methods suffer from introducing an inordinate number of modulo (or integer division) operations with respect to different primes. By automatically recompiling itself for each prime, FiniteFieldSolve converts the division operations into much faster combinations of instructions, dramatically improving performance. The technique of compiling the prime can be applied to any finite field solver, where the time savings will be solver dependent. The operation of the package is illustrated through a detailed example of an amplitude bootstrap.

In this work we study indoor scene object placement. Given a 3D indoor scene and an object, the task is to predict placement locations within the scene. Empirical observations of data-driven approaches to the problem show their tendency to miss placement modes. We introduce a system which helps to address this flaw. We design a Domain Specific Language (DSL) that specifies object relational constraints. Upon execution, programs from our language predict possible placements from a partial scene and object. We design a generative model which writes these programs automatically. Available 3D scene datasets do not contain programs to train on, and naively extracted programs only predict the original placement location of scene objects. Training on these programs results in subpar performance so we introduce a new program bootstrapping algorithm that improves our system's performance compared to the naive approach. To quantify our qualitative observations, we introduce a new evaluation procedure which captures how well a system models per-object location distributions. We ask human annotators to label all the possible places an object can go in a scene and compare this set against locations produced by the system in question. Our system produces per-object location distributions more consistent with human annotators than those produced by existing data-driven approaches and a zero-shot approach using an LLM. While other systems degrade in performance when training data is sparse, our system does not degrade to the same degree.

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.

AdaBoost is a classic boosting algorithm for combining multiple inaccurate classifiers produced by a weak learner, to produce a strong learner with arbitrarily high accuracy when given enough training data. Determining the optimal number of samples necessary to obtain a given accuracy of the strong learner, is a basic learning theoretic question. Larsen and Ritzert (NeurIPS'22) recently presented the first provably optimal weak-to-strong learner. However, their algorithm is somewhat complicated and it remains an intriguing question whether the prototypical boosting algorithm AdaBoost also makes optimal use of training samples. In this work, we answer this question in the negative. Concretely, we show that the sample complexity of AdaBoost, and other classic variations thereof, are sub-optimal by at least one logarithmic factor in the desired accuracy of the strong learner.

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.

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 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.

This article reviews modern optimization methods for training neural networks with an emphasis on efficiency and scale. We present state-of-the-art optimization algorithms under a unified algorithmic template that highlights the importance of adapting to the structures in the problem. We then cover how to make these algorithms agnostic to the scale of the problem. Our exposition is intended as an introduction for both practitioners and researchers who wish to be involved in these exciting new developments.

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.

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.

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.

A myriad of recent breakthroughs in hand-crafted neural architectures for visual recognition have highlighted the urgent need to explore hybrid architectures consisting of diversified building blocks. Meanwhile, neural architecture search methods are surging with an expectation to reduce human efforts. However, whether NAS methods can efficiently and effectively handle diversified search spaces with disparate candidates (e.g. CNNs and transformers) is still an open question. In this work, we present Block-wisely Self-supervised Neural Architecture Search (BossNAS), an unsupervised NAS method that addresses the problem of inaccurate architecture rating caused by large weight-sharing space and biased supervision in previous methods. More specifically, we factorize the search space into blocks and utilize a novel self-supervised training scheme, named ensemble bootstrapping, to train each block separately before searching them as a whole towards the population center. Additionally, we present HyTra search space, a fabric-like hybrid CNN-transformer search space with searchable down-sampling positions. On this challenging search space, our searched model, BossNet-T, achieves up to 82.5% accuracy on ImageNet, surpassing EfficientNet by 2.4% with comparable compute time. Moreover, our method achieves superior architecture rating accuracy with 0.78 and 0.76 Spearman correlation on the canonical MBConv search space with ImageNet and on NATS-Bench size search space with CIFAR-100, respectively, surpassing state-of-the-art NAS methods. Code: https://github.com/changlin31/BossNAS

Natural Language Processing (NLP) systems are increasingly taking the form of multi-stage pipelines involving multiple distinct language models (LMs) and prompting strategies. Here we address the question of how to fine-tune such systems to improve their performance. We cast this as a problem of optimizing the underlying LM weights and the prompting strategies together, and consider a challenging but highly realistic scenario in which we have no gold labels for any intermediate stages in the pipeline. To address this challenge, we evaluate approximate optimization strategies in which we bootstrap training labels for all pipeline stages and use these to optimize the pipeline's prompts and fine-tune its weights alternatingly. In experiments with multi-hop QA, mathematical reasoning, and feature-based classification, we find that simple approaches for optimizing the prompts and weights together outperform directly optimizing weights alone and prompts alone by up to 65% and 5%, respectively, on average across LMs and tasks. We will release our new optimizers in DSPy at http://dspy.ai

Stochastic gradient descent method and its variants constitute the core optimization algorithms that achieve good convergence rates for solving machine learning problems. These rates are obtained especially when these algorithms are fine-tuned for the application at hand. Although this tuning process can require large computational costs, recent work has shown that these costs can be reduced by line search methods that iteratively adjust the stepsize. We propose an alternative approach to stochastic line search by using a new algorithm based on forward step model building. This model building step incorporates second-order information that allows adjusting not only the stepsize but also the search direction. Noting that deep learning model parameters come in groups (layers of tensors), our method builds its model and calculates a new step for each parameter group. This novel diagonalization approach makes the selected step lengths adaptive. We provide convergence rate analysis, and experimentally show that the proposed algorithm achieves faster convergence and better generalization in well-known test problems. More precisely, SMB requires less tuning, and shows comparable performance to other adaptive methods.

The paper presents an O(N log N)-implementation of t-SNE -- an embedding technique that is commonly used for the visualization of high-dimensional data in scatter plots and that normally runs in O(N^2). The new implementation uses vantage-point trees to compute sparse pairwise similarities between the input data objects, and it uses a variant of the Barnes-Hut algorithm - an algorithm used by astronomers to perform N-body simulations - to approximate the forces between the corresponding points in the embedding. Our experiments show that the new algorithm, called Barnes-Hut-SNE, leads to substantial computational advantages over standard t-SNE, and that it makes it possible to learn embeddings of data sets with millions of objects.

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

LLM-based web agents have recently made significant progress, but much of it has occurred in closed-source systems, widening the gap with open-source alternatives. Progress has been held back by two key challenges: first, a narrow focus on single-step tasks that overlooks the complexity of multi-step web interactions; and second, the high compute costs required to post-train LLM-based web agents. To address this, we present the first statistically grounded study on compute allocation for LLM web-agent post-training. Our approach uses a two-stage pipeline, training a Llama 3.1 8B student to imitate a Llama 3.3 70B teacher via supervised fine-tuning (SFT), followed by on-policy reinforcement learning. We find this process highly sensitive to hyperparameter choices, making exhaustive sweeps impractical. To spare others from expensive trial-and-error, we sample 1,370 configurations and use bootstrapping to estimate effective hyperparameters. Our results show that combining SFT with on-policy RL consistently outperforms either approach alone on both WorkArena and MiniWob++. Further, this strategy requires only 55% of the compute to match the peak performance of pure SFT on MiniWob++, effectively pushing the compute-performance Pareto frontier, and is the only strategy that can close the gap with closed-source models.

We propose BOSS, an approach that automatically learns to solve new long-horizon, complex, and meaningful tasks by growing a learned skill library with minimal supervision. Prior work in reinforcement learning require expert supervision, in the form of demonstrations or rich reward functions, to learn long-horizon tasks. Instead, our approach BOSS (BOotStrapping your own Skills) learns to accomplish new tasks by performing "skill bootstrapping," where an agent with a set of primitive skills interacts with the environment to practice new skills without receiving reward feedback for tasks outside of the initial skill set. This bootstrapping phase is guided by large language models (LLMs) that inform the agent of meaningful skills to chain together. Through this process, BOSS builds a wide range of complex and useful behaviors from a basic set of primitive skills. We demonstrate through experiments in realistic household environments that agents trained with our LLM-guided bootstrapping procedure outperform those trained with naive bootstrapping as well as prior unsupervised skill acquisition methods on zero-shot execution of unseen, long-horizon tasks in new environments. Website at clvrai.com/boss.

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.

We propose Heuristic Blending (HUBL), a simple performance-improving technique for a broad class of offline RL algorithms based on value bootstrapping. HUBL modifies the Bellman operators used in these algorithms, partially replacing the bootstrapped values with heuristic ones that are estimated with Monte-Carlo returns. For trajectories with higher returns, HUBL relies more on the heuristic values and less on bootstrapping; otherwise, it leans more heavily on bootstrapping. HUBL is very easy to combine with many existing offline RL implementations by relabeling the offline datasets with adjusted rewards and discount factors. We derive a theory that explains HUBL's effect on offline RL as reducing offline RL's complexity and thus increasing its finite-sample performance. Furthermore, we empirically demonstrate that HUBL consistently improves the policy quality of four state-of-the-art bootstrapping-based offline RL algorithms (ATAC, CQL, TD3+BC, and IQL), by 9% on average over 27 datasets of the D4RL and Meta-World benchmarks.

Adaptive optimization methods are widely recognized as among the most popular approaches for training Deep Neural Networks (DNNs). Techniques such as Adam, AdaGrad, and AdaHessian utilize a preconditioner that modifies the search direction by incorporating information about the curvature of the objective function. However, despite their adaptive characteristics, these methods still require manual fine-tuning of the step-size. This, in turn, impacts the time required to solve a particular problem. This paper presents an optimization framework named SANIA to tackle these challenges. Beyond eliminating the need for manual step-size hyperparameter settings, SANIA incorporates techniques to address poorly scaled or ill-conditioned problems. We also explore several preconditioning methods, including Hutchinson's method, which approximates the Hessian diagonal of the loss function. We conclude with an extensive empirical examination of the proposed techniques across classification tasks, covering both convex and non-convex contexts.

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.

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.

A Neural Process (NP) estimates a stochastic process implicitly defined with neural networks given a stream of data, rather than pre-specifying priors already known, such as Gaussian processes. An ideal NP would learn everything from data without any inductive biases, but in practice, we often restrict the class of stochastic processes for the ease of estimation. One such restriction is the use of a finite-dimensional latent variable accounting for the uncertainty in the functions drawn from NPs. Some recent works show that this can be improved with more "data-driven" source of uncertainty such as bootstrapping. In this work, we take a different approach based on the martingale posterior, a recently developed alternative to Bayesian inference. For the martingale posterior, instead of specifying prior-likelihood pairs, a predictive distribution for future data is specified. Under specific conditions on the predictive distribution, it can be shown that the uncertainty in the generated future data actually corresponds to the uncertainty of the implicitly defined Bayesian posteriors. Based on this result, instead of assuming any form of the latent variables, we equip a NP with a predictive distribution implicitly defined with neural networks and use the corresponding martingale posteriors as the source of uncertainty. The resulting model, which we name as Martingale Posterior Neural Process (MPNP), is demonstrated to outperform baselines on various tasks.

Large language models (LLMs) have pushed the limits of natural language understanding and exhibited excellent problem-solving ability. Despite the great success, most existing open-source LLMs (\eg, LLaMA-2) are still far away from satisfactory for solving mathematical problem due to the complex reasoning procedures. To bridge this gap, we propose MetaMath, a fine-tuned language model that specializes in mathematical reasoning. Specifically, we start by bootstrapping mathematical questions by rewriting the question from multiple perspectives without extra knowledge, which results in a new dataset called {MetaMathQA}. Then we fine-tune the LLaMA-2 models on MetaMathQA. Experimental results on two popular benchmarks (\ie, GSM8K and MATH) for mathematical reasoning demonstrate that MetaMath outperforms a suite of open-source LLMs by a significant margin. Our MetaMath-7B model achieves 66.4% on GSM8K and 19.4% on MATH, exceeding the state-of-the-art models of the same size by 11.5% and 8.7%. Particularly, {MetaMath-70B} achieves an accuracy of 82.3% on {GSM8K}, slightly better than {GPT-3.5-Turbo}. We release the {MetaMathQA} dataset, the {MetaMath} models with different model sizes and the training code for public use.

We present a novel adaptive optimization algorithm for large-scale machine learning problems. Equipped with a low-cost estimate of local curvature and Lipschitz smoothness, our method dynamically adapts the search direction and step-size. The search direction contains gradient information preconditioned by a well-scaled diagonal preconditioning matrix that captures the local curvature information. Our methodology does not require the tedious task of learning rate tuning, as the learning rate is updated automatically without adding an extra hyperparameter. We provide convergence guarantees on a comprehensive collection of optimization problems, including convex, strongly convex, and nonconvex problems, in both deterministic and stochastic regimes. We also conduct an extensive empirical evaluation on standard machine learning problems, justifying our algorithm's versatility and demonstrating its strong performance compared to other start-of-the-art first-order and second-order methods.

Tree boosting is a highly effective and widely used machine learning method. In this paper, we describe a scalable end-to-end tree boosting system called XGBoost, which is used widely by data scientists to achieve state-of-the-art results on many machine learning challenges. We propose a novel sparsity-aware algorithm for sparse data and weighted quantile sketch for approximate tree learning. More importantly, we provide insights on cache access patterns, data compression and sharding to build a scalable tree boosting system. By combining these insights, XGBoost scales beyond billions of examples using far fewer resources than existing systems.

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

This book is about conformal prediction and related inferential techniques that build on permutation tests and exchangeability. These techniques are useful in a diverse array of tasks, including hypothesis testing and providing uncertainty quantification guarantees for machine learning systems. Much of the current interest in conformal prediction is due to its ability to integrate into complex machine learning workflows, solving the problem of forming prediction sets without any assumptions on the form of the data generating distribution. Since contemporary machine learning algorithms have generally proven difficult to analyze directly, conformal prediction's main appeal is its ability to provide formal, finite-sample guarantees when paired with such methods. The goal of this book is to teach the reader about the fundamental technical arguments that arise when researching conformal prediction and related questions in distribution-free inference. Many of these proof strategies, especially the more recent ones, are scattered among research papers, making it difficult for researchers to understand where to look, which results are important, and how exactly the proofs work. We hope to bridge this gap by curating what we believe to be some of the most important results in the literature and presenting their proofs in a unified language, with illustrations, and with an eye towards pedagogy.

We present a new method for constructing Hadamard matrices that combines transformer neural networks with local search in the PatternBoost framework. Our approach is designed for extremely sparse combinatorial search problems and is particularly effective for Hadamard matrices of Goethals--Seidel type, where Fourier methods permit fast scoring and optimisation. For orders between 100 and 200, it produces large numbers of inequivalent Hadamard matrices, and for larger orders, it succeeds where local search from random initialisation fails. The largest example found by our method has order 252. In addition to these new constructions, our experiments reveal that the transformer can discover and exploit useful hidden symmetry in the search space.

The goal of the change-point detection is to discover changes of time series distribution. One of the state of the art approaches of the change-point detection are based on direct density ratio estimation. In this work we show how existing algorithms can be generalized using various binary classification and regression models. In particular, we show that the Gradient Boosting over Decision Trees and Neural Networks can be used for this purpose. The algorithms are tested on several synthetic and real-world datasets. The results show that the proposed methods outperform classical RuLSIF algorithm. Discussion of cases where the proposed algorithms have advantages over existing methods are also provided.

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.

In this work, we have worked towards two major goals. Firstly, we have investigated the importance of Batch Normalisation (BN) layers in a non-contrastive representation learning framework called Bootstrap Your Own Latent (BYOL). We conducted several experiments to conclude that BN layers are not necessary for representation learning in BYOL. Moreover, BYOL only learns from the positive pairs of images but ignores other semantically similar images in the same input batch. For the second goal, we have introduced two new loss functions to determine the semantically similar pairs in the same input batch of images and reduce the distance between their representations. These loss functions are Cross-Cosine Similarity Loss (CCSL) and Cross-Sigmoid Similarity Loss (CSSL). Using the proposed loss functions, we are able to surpass the performance of Vanilla BYOL (71.04%) by training the BYOL framework using CCSL loss (76.87%) on the STL10 dataset. BYOL trained using CSSL loss performs comparably with Vanilla BYOL.

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.

The inspiral, merger, and ringdown of Massive Black Hole Binaries (MBHBs) is one the main sources of Gravitational Waves (GWs) for the future Laser Interferometer Space Antenna (LISA), an ESA-led mission in the implementation phase. It is expected that LISA will detect these systems throughout the entire observable universe. Robust and efficient data analysis algorithms are necessary to detect and estimate physical parameters for these systems. In this work, we explore the application of Sequential Neural Likelihood, a simulation-based inference algorithm, to detect and characterize MBHB GW signals in synthetic LISA data. We describe in detail the different elements of the method, their performance and possible alternatives that can be used to enhance the performance. Instead of sampling from the conventional likelihood function, which requires a forward simulation for each evaluation, this method constructs a surrogate likelihood that is ultimately described by a neural network trained from a dataset of simulations of the MBHB signals and noise. One important advantage of this method is that, given that the likelihood is independent of the priors, we can iteratively train models that target specific observations in a fraction of the time and computational cost that other traditional and machine learning-based strategies would require. Because of the iterative nature of the method, we are able to train models to obtain qualitatively similar posteriors with less than 2\% of the simulator calls that Markov Chain Monte Carlo methods would require. We compare these posteriors with those obtained from Markov Chain Monte Carlo techniques and discuss the differences that appear, in particular in relation with the important role that data compression has in the modular implementation of the method that we present. We also discuss different strategies to improve the performance of the algorithms.

We introduce Gravity, another algorithm for gradient-based optimization. In this paper, we explain how our novel idea change parameters to reduce the deep learning model's loss. It has three intuitive hyper-parameters that the best values for them are proposed. Also, we propose an alternative to moving average. To compare the performance of the Gravity optimizer with two common optimizers, Adam and RMSProp, five standard datasets were trained on two VGGNet models with a batch size of 128 for 100 epochs. Gravity hyper-parameters did not need to be tuned for different models. As will be explained more in the paper, to investigate the direct impact of the optimizer itself on loss reduction no overfitting prevention technique was used. The obtained results show that the Gravity optimizer has more stable performance than Adam and RMSProp and gives greater values of validation accuracy for datasets with more output classes like CIFAR-100 (Fine).

Diffusion models have demonstrated excellent potential for generating diverse images. However, their performance often suffers from slow generation due to iterative denoising. Knowledge distillation has been recently proposed as a remedy that can reduce the number of inference steps to one or a few without significant quality degradation. However, existing distillation methods either require significant amounts of offline computation for generating synthetic training data from the teacher model or need to perform expensive online learning with the help of real data. In this work, we present a novel technique called BOOT, that overcomes these limitations with an efficient data-free distillation algorithm. The core idea is to learn a time-conditioned model that predicts the output of a pre-trained diffusion model teacher given any time step. Such a model can be efficiently trained based on bootstrapping from two consecutive sampled steps. Furthermore, our method can be easily adapted to large-scale text-to-image diffusion models, which are challenging for conventional methods given the fact that the training sets are often large and difficult to access. We demonstrate the effectiveness of our approach on several benchmark datasets in the DDIM setting, achieving comparable generation quality while being orders of magnitude faster than the diffusion teacher. The text-to-image results show that the proposed approach is able to handle highly complex distributions, shedding light on more efficient generative modeling.

Despite the rise to dominance of deep learning in unstructured data domains, tree-based methods such as Random Forests (RF) and Gradient Boosted Decision Trees (GBDT) are still the workhorses for handling discriminative tasks on tabular data. We explore generative extensions of these popular algorithms with a focus on explicitly modeling the data density (up to a normalization constant), thus enabling other applications besides sampling. As our main contribution we propose an energy-based generative boosting algorithm that is analogous to the second order boosting implemented in popular packages like XGBoost. We show that, despite producing a generative model capable of handling inference tasks over any input variable, our proposed algorithm can achieve similar discriminative performance to GBDT on a number of real world tabular datasets, outperforming alternative generative approaches. At the same time, we show that it is also competitive with neural network based models for sampling.

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.

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.

We address the problem of optimizing a Brownian motion. We consider a (random) realization W of a Brownian motion with input space in [0,1]. Given W, our goal is to return an ε-approximation of its maximum using the smallest possible number of function evaluations, the sample complexity of the algorithm. We provide an algorithm with sample complexity of order log^2(1/ε). This improves over previous results of Al-Mharmah and Calvin (1996) and Calvin et al. (2017) which provided only polynomial rates. Our algorithm is adaptive---each query depends on previous values---and is an instance of the optimism-in-the-face-of-uncertainty principle.

We revisit the noisy binary search model of Karp and Kleinberg, in which we have n coins with unknown probabilities p_i that we can flip. The coins are sorted by increasing p_i, and we would like to find where the probability crosses (to within varepsilon) of a target value tau. This generalized the fixed-noise model of Burnashev and Zigangirov , in which p_i = 1{2} pm varepsilon, to a setting where coins near the target may be indistinguishable from it. Karp and Kleinberg showed that Theta(1{varepsilon^2} log n) samples are necessary and sufficient for this task. We produce a practical algorithm by solving two theoretical challenges: high-probability behavior and sharp constants. We give an algorithm that succeeds with probability 1-delta from \[ 1{C_{\tau, \varepsilon}} \cdot \left(\lg n + O(\log^{2/3} n \log^{1/3} 1{\delta} + \log 1{\delta})\right) \] samples, where C_{tau, varepsilon} is the optimal such constant achievable. For delta > n^{-o(1)} this is within 1 + o(1) of optimal, and for delta ll 1 it is the first bound within constant factors of optimal.

Black-box machine learning models are now routinely used in high-risk settings, like medical diagnostics, which demand uncertainty quantification to avoid consequential model failures. Conformal prediction is a user-friendly paradigm for creating statistically rigorous uncertainty sets/intervals for the predictions of such models. Critically, the sets are valid in a distribution-free sense: they possess explicit, non-asymptotic guarantees even without distributional assumptions or model assumptions. One can use conformal prediction with any pre-trained model, such as a neural network, to produce sets that are guaranteed to contain the ground truth with a user-specified probability, such as 90%. It is easy-to-understand, easy-to-use, and general, applying naturally to problems arising in the fields of computer vision, natural language processing, deep reinforcement learning, and so on. This hands-on introduction is aimed to provide the reader a working understanding of conformal prediction and related distribution-free uncertainty quantification techniques with one self-contained document. We lead the reader through practical theory for and examples of conformal prediction and describe its extensions to complex machine learning tasks involving structured outputs, distribution shift, time-series, outliers, models that abstain, and more. Throughout, there are many explanatory illustrations, examples, and code samples in Python. With each code sample comes a Jupyter notebook implementing the method on a real-data example; the notebooks can be accessed and easily run using our codebase.

We present an approach that uses a multi-camera system to train fine-grained detectors for keypoints that are prone to occlusion, such as the joints of a hand. We call this procedure multiview bootstrapping: first, an initial keypoint detector is used to produce noisy labels in multiple views of the hand. The noisy detections are then triangulated in 3D using multiview geometry or marked as outliers. Finally, the reprojected triangulations are used as new labeled training data to improve the detector. We repeat this process, generating more labeled data in each iteration. We derive a result analytically relating the minimum number of views to achieve target true and false positive rates for a given detector. The method is used to train a hand keypoint detector for single images. The resulting keypoint detector runs in realtime on RGB images and has accuracy comparable to methods that use depth sensors. The single view detector, triangulated over multiple views, enables 3D markerless hand motion capture with complex object interactions.

Putting together an ideal outfit is a process that involves creativity and style intuition. This makes it a particularly difficult task to automate. Existing styling products generally involve human specialists and a highly curated set of fashion items. In this paper, we will describe how we bootstrapped the Complete The Look (CTL) system at Pinterest. This is a technology that aims to learn the subjective task of "style compatibility" in order to recommend complementary items that complete an outfit. In particular, we want to show recommendations from other categories that are compatible with an item of interest. For example, what are some heels that go well with this cocktail dress? We will introduce our outfit dataset of over 1 million outfits and 4 million objects, a subset of which we will make available to the research community, and describe the pipeline used to obtain and refresh this dataset. Furthermore, we will describe how we evaluate this subjective task and compare model performance across multiple training methods. Lastly, we will share our lessons going from experimentation to working prototype, and how to mitigate failure modes in the production environment. Our work represents one of the first examples of an industrial-scale solution for compatibility-based fashion recommendation.

This work presents a fast and scalable algorithm for incremental learning of Gaussian mixture models. By performing rank-one updates on its precision matrices and determinants, its asymptotic time complexity is of NKD^2 for N data points, K Gaussian components and D dimensions. The resulting algorithm can be applied to high dimensional tasks, and this is confirmed by applying it to the classification datasets MNIST and CIFAR-10. Additionally, in order to show the algorithm's applicability to function approximation and control tasks, it is applied to three reinforcement learning tasks and its data-efficiency is evaluated.

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.

We evaluate ChatGPT's ability to solve algorithm problems from the CLRS benchmark suite that is designed for GNNs. The benchmark requires the use of a specified classical algorithm to solve a given problem. We find that ChatGPT outperforms specialist GNN models, using Python to successfully solve these problems. This raises new points in the discussion about learning algorithms with neural networks and how we think about what out of distribution testing looks like with web scale training data.

This paper explores the use of latent bootstrapping, an alternative self-supervision technique, for pretraining language models. Unlike the typical practice of using self-supervision on discrete subwords, latent bootstrapping leverages contextualized embeddings for a richer supervision signal. We conduct experiments to assess how effective this approach is for acquiring linguistic knowledge from limited resources. Specifically, our experiments are based on the BabyLM shared task, which includes pretraining on two small curated corpora and an evaluation on four linguistic benchmarks.

This paper develops a new mathematical-statistical approach to analyze a class of Flajolet-Martin algorithms (FMa), and provides analytical confidence intervals for the number F0 of distinct elements in a stream, based on Chernoff bounds. The class of FMa has reached a significant popularity in bigdata stream learning, and the attention of the literature has mainly been based on algorithmic aspects, basically complexity optimality, while the statistical analysis of these class of algorithms has been often faced heuristically. The analysis provided here shows deep connections with mathematical special functions and with extreme value theory. The latter connection may help in explaining heuristic considerations, while the first opens many numerical issues, faced at the end of the present paper. Finally, the algorithms are tested on an anonymized real data stream and MonteCarlo simulations are provided to support our analytical choice in this context.

We introduce Adam, an algorithm for first-order gradient-based optimization of stochastic objective functions, based on adaptive estimates of lower-order moments. The method is straightforward to implement, is computationally efficient, has little memory requirements, is invariant to diagonal rescaling of the gradients, and is well suited for problems that are large in terms of data and/or parameters. The method is also appropriate for non-stationary objectives and problems with very noisy and/or sparse gradients. The hyper-parameters have intuitive interpretations and typically require little tuning. Some connections to related algorithms, on which Adam was inspired, are discussed. We also analyze the theoretical convergence properties of the algorithm and provide a regret bound on the convergence rate that is comparable to the best known results under the online convex optimization framework. Empirical results demonstrate that Adam works well in practice and compares favorably to other stochastic optimization methods. Finally, we discuss AdaMax, a variant of Adam based on the infinity norm.

In this paper, we consider non-convex multi-block bilevel optimization (MBBO) problems, which involve mgg 1 lower level problems and have important applications in machine learning. Designing a stochastic gradient and controlling its variance is more intricate due to the hierarchical sampling of blocks and data and the unique challenge of estimating hyper-gradient. We aim to achieve three nice properties for our algorithm: (a) matching the state-of-the-art complexity of standard BO problems with a single block; (b) achieving parallel speedup by sampling I blocks and sampling B samples for each sampled block per-iteration; (c) avoiding the computation of the inverse of a high-dimensional Hessian matrix estimator. However, it is non-trivial to achieve all of these by observing that existing works only achieve one or two of these properties. To address the involved challenges for achieving (a, b, c), we propose two stochastic algorithms by using advanced blockwise variance-reduction techniques for tracking the Hessian matrices (for low-dimensional problems) or the Hessian-vector products (for high-dimensional problems), and prove an iteration complexity of O(mepsilon^{-3I(I<m)}{II} + mepsilon^{-3}{IB}) for finding an epsilon-stationary point under appropriate conditions. We also conduct experiments to verify the effectiveness of the proposed algorithms comparing with existing MBBO algorithms.

Recent work reported that simple Bayesian optimization (BO) methods perform well for high-dimensional real-world tasks, seemingly contradicting prior work and tribal knowledge. This paper investigates why. We identify underlying challenges that arise in high-dimensional BO and explain why recent methods succeed. Our empirical analysis shows that vanishing gradients caused by Gaussian process (GP) initialization schemes play a major role in the failures of high-dimensional Bayesian optimization (HDBO) and that methods that promote local search behaviors are better suited for the task. We find that maximum likelihood estimation (MLE) of GP length scales suffices for state-of-the-art performance. Based on this, we propose a simple variant of MLE called MSR that leverages these findings to achieve state-of-the-art performance on a comprehensive set of real-world applications. We present targeted experiments to illustrate and confirm our findings.

We present an accelerated algorithm for hierarchical density based clustering. Our new algorithm improves upon HDBSCAN*, which itself provided a significant qualitative improvement over the popular DBSCAN algorithm. The accelerated HDBSCAN* algorithm provides comparable performance to DBSCAN, while supporting variable density clusters, and eliminating the need for the difficult to tune distance scale parameter. This makes accelerated HDBSCAN* the default choice for density based clustering. Library available at: https://github.com/scikit-learn-contrib/hdbscan

We present MBXP, an execution-based code completion benchmark in 10+ programming languages. This collection of datasets is generated by our conversion framework that translates prompts and test cases from the original MBPP dataset to the corresponding data in a target language. Based on this benchmark, we are able to evaluate code generation models in a multi-lingual fashion, and in particular discover generalization ability of language models on out-of-domain languages, advantages of large multi-lingual models over mono-lingual, benefits of few-shot prompting, and zero-shot translation abilities. In addition, we use our code generation model to perform large-scale bootstrapping to obtain synthetic canonical solutions in several languages. These solutions can be used for other code-related evaluations such as insertion-based, summarization, or code translation tasks where we demonstrate results and release as part of our benchmark.

Recent advances in probabilistic modelling have led to a large number of simulation-based inference algorithms which do not require numerical evaluation of likelihoods. However, a public benchmark with appropriate performance metrics for such 'likelihood-free' algorithms has been lacking. This has made it difficult to compare algorithms and identify their strengths and weaknesses. We set out to fill this gap: We provide a benchmark with inference tasks and suitable performance metrics, with an initial selection of algorithms including recent approaches employing neural networks and classical Approximate Bayesian Computation methods. We found that the choice of performance metric is critical, that even state-of-the-art algorithms have substantial room for improvement, and that sequential estimation improves sample efficiency. Neural network-based approaches generally exhibit better performance, but there is no uniformly best algorithm. We provide practical advice and highlight the potential of the benchmark to diagnose problems and improve algorithms. The results can be explored interactively on a companion website. All code is open source, making it possible to contribute further benchmark tasks and inference algorithms.

Conventional multi-label classification (MLC) methods assume that all samples are fully labeled and identically distributed. Unfortunately, this assumption is unrealistic in large-scale MLC data that has long-tailed (LT) distribution and partial labels (PL). To address the problem, we introduce a novel task, Partial labeling and Long-Tailed Multi-Label Classification (PLT-MLC), to jointly consider the above two imperfect learning environments. Not surprisingly, we find that most LT-MLC and PL-MLC approaches fail to solve the PLT-MLC, resulting in significant performance degradation on the two proposed PLT-MLC benchmarks. Therefore, we propose an end-to-end learning framework: COrrection rightarrow ModificatIon rightarrow balanCe, abbreviated as \method{}. Our bootstrapping philosophy is to simultaneously correct the missing labels (Correction) with convinced prediction confidence over a class-aware threshold and to learn from these recall labels during training. We next propose a novel multi-focal modifier loss that simultaneously addresses head-tail imbalance and positive-negative imbalance to adaptively modify the attention to different samples (Modification) under the LT class distribution. In addition, we develop a balanced training strategy by distilling the model's learning effect from head and tail samples, and thus design a balanced classifier (Balance) conditioned on the head and tail learning effect to maintain stable performance for all samples. Our experimental study shows that the proposed significantly outperforms general MLC, LT-MLC and PL-MLC methods in terms of effectiveness and robustness on our newly created PLT-MLC datasets.

Bilevel optimization has shown its utility across various machine learning settings, yet most algorithms in practice require second-order information, making it challenging to scale them up. Only recently, a paradigm of first-order algorithms has emerged in the theoretical literature, capable of effectively addressing bilevel optimization problems. Nevertheless, the practical efficiency of this paradigm remains unverified, particularly in the context of large language models (LLMs). This paper introduces the first scalable instantiation of this paradigm called ScaleBiO, focusing on bilevel optimization for large-scale LLM data reweighting. By combining with a recently proposed memory-efficient training technique called LISA, our novel algorithm allows the paradigm to scale to sim30B-sized LLMs on 8timesH100 GPUs, marking the first successful application of bilevel optimization under practical scenarios for large-sized LLMs. Empirically, extensive experiments on data reweighting verify the effectiveness of ScaleBiO for different-scaled models, including Llama-3-8B, Gemma-2-9B, Qwen-2-7B, and Qwen-2.5-32B, where bilevel optimization succeeds in instruction-following and math reasoning tasks, outperforming several popular baselines, including uniform sampling, influence-aware data filtering, and reference-model-based sampling methods. Theoretically, ScaleBiO ensures the optimality of the learned data weights, along with a convergence guarantee matching the conventional first-order bilevel optimization paradigm on smooth and strongly convex objectives.

Webly supervised learning has attracted increasing attention for its effectiveness in exploring publicly accessible data at scale without manual annotation. However, most existing methods of learning with web datasets are faced with challenges from label noise, and they have limited assumptions on clean samples under various noise. For instance, web images retrieved with queries of tiger cat (a cat species) and drumstick (a musical instrument) are almost dominated by images of tigers and chickens, which exacerbates the challenge of fine-grained visual concept learning. In this case, exploiting both web images and their associated texts is a requisite solution to combat real-world noise. In this paper, we propose Cross-modality Aligned Prototypes (CAPro), a unified prototypical contrastive learning framework to learn visual representations with correct semantics. For one thing, we leverage textual prototypes, which stem from the distinct concept definition of classes, to select clean images by text matching and thus disambiguate the formation of visual prototypes. For another, to handle missing and mismatched noisy texts, we resort to the visual feature space to complete and enhance individual texts and thereafter improve text matching. Such semantically aligned visual prototypes are further polished up with high-quality samples, and engaged in both cluster regularization and noise removal. Besides, we propose collective bootstrapping to encourage smoother and wiser label reference from appearance-similar instances in a manner of dictionary look-up. Extensive experiments on WebVision1k and NUS-WIDE (Web) demonstrate that CAPro well handles realistic noise under both single-label and multi-label scenarios. CAPro achieves new state-of-the-art performance and exhibits robustness to open-set recognition. Codes are available at https://github.com/yuleiqin/capro.

Bootstrapping from pre-trained language models has been proven to be an efficient approach for building vision-language models (VLM) for tasks such as image captioning or visual question answering. However, outputs of these models rarely align with user's rationales for specific answers. In order to improve this alignment and reinforce commonsense reasons, we propose a tuning paradigm based on human interactions with machine generated data. Our ILLUME executes the following loop: Given an image-question-answer prompt, the VLM samples multiple candidate rationales, and a human critic provides minimal feedback via preference selection, used for fine-tuning. This loop increases the training data and gradually carves out the VLM's rationalization capabilities that are aligned with human intend. Our exhaustive experiments demonstrate that ILLUME is competitive with standard supervised fine-tuning while using significantly fewer training data and only requiring minimal feedback.

Compute scaling for language model (LM) pretraining has outpaced the growth of human-written texts, leading to concerns that data will become the bottleneck to LM scaling. To continue scaling pretraining in this data-constrained regime, we propose that explicitly modeling and inferring the latent thoughts that underlie the text generation process can significantly improve pretraining data efficiency. Intuitively, our approach views web text as the compressed final outcome of a verbose human thought process and that the latent thoughts contain important contextual knowledge and reasoning steps that are critical to data-efficient learning. We empirically demonstrate the effectiveness of our approach through data-constrained continued pretraining for math. We first show that synthetic data approaches to inferring latent thoughts significantly improve data efficiency, outperforming training on the same amount of raw data (5.7\% rightarrow 25.4\% on MATH). Furthermore, we demonstrate latent thought inference without a strong teacher, where an LM bootstraps its own performance by using an EM algorithm to iteratively improve the capability of the trained LM and the quality of thought-augmented pretraining data. We show that a 1B LM can bootstrap its performance across at least three iterations and significantly outperform baselines trained on raw data, with increasing gains from additional inference compute when performing the E-step. The gains from inference scaling and EM iterations suggest new opportunities for scaling data-constrained pretraining.

Obesity, the leading cause of many non-communicable diseases, occurs mainly for eating more than our body requirements and lack of proper activity. So, being healthy requires heathy diet plans, especially for patients with comorbidities. But it is difficult to figure out the exact quantity of each nutrient because nutrients requirement varies based on physical and disease conditions. In our study we proposed a novel machine learning based system to predict the amount of nutrients one individual requires for being healthy. We applied different machine learning algorithms: linear regression, support vector machine (SVM), decision tree, random forest, XGBoost, LightGBM on fluid and 3 other major micronutrients: carbohydrate, protein, fat consumption prediction. We achieved high accuracy with low root mean square error (RMSE) by using linear regression in fluid prediction, random forest in carbohydrate prediction and LightGBM in protein and fat prediction. We believe our diet recommender system, OBESEYE, is the only of its kind which recommends diet with the consideration of comorbidities and physical conditions and promote encouragement to get rid of obesity.

This paper tackles optimization problems whose objective and constraints involve a trained Neural Network (NN), where the goal is to maximize f(Phi(x)) subject to c(Phi(x)) leq 0, with f smooth, c general and non-stringent, and Phi an already trained and possibly nonwhite-box NN. We address two challenges regarding this problem: identifying ascent directions for local search, and ensuring reliable convergence towards relevant local solutions. To this end, we re-purpose the notion of directional NN attacks as efficient optimization subroutines, since directional NN attacks use the neural structure of Phi to compute perturbations of x that steer Phi(x) in prescribed directions. Precisely, we develop an attack operator that computes attacks of Phi at any x along the direction nabla f(Phi(x)). Then, we propose a hybrid algorithm combining the attack operator with derivative-free optimization (DFO) techniques, designed for numerical reliability by remaining oblivious to the structure of the problem. We consider the cDSM algorithm, which offers asymptotic guarantees to converge to a local solution under mild assumptions on the problem. The resulting method alternates between attack-based steps for heuristic yet fast local intensification and cDSM steps for certified convergence and numerical reliability. Experiments on three problems show that this hybrid approach consistently outperforms standard DFO baselines.

This paper focuses on the problem of constrained stochastic optimization. A zeroth order Frank-Wolfe algorithm is proposed, which in addition to the projection-free nature of the vanilla Frank-Wolfe algorithm makes it gradient free. Under convexity and smoothness assumption, we show that the proposed algorithm converges to the optimal objective function at a rate Oleft(1/T^{1/3}right), where T denotes the iteration count. In particular, the primal sub-optimality gap is shown to have a dimension dependence of Oleft(d^{1/3}right), which is the best known dimension dependence among all zeroth order optimization algorithms with one directional derivative per iteration. For non-convex functions, we obtain the Frank-Wolfe gap to be Oleft(d^{1/3}T^{-1/4}right). Experiments on black-box optimization setups demonstrate the efficacy of the proposed algorithm.

We study the problem of global maximization of a function f given a finite number of evaluations perturbed by noise. We consider a very weak assumption on the function, namely that it is locally smooth (in some precise sense) with respect to some semi-metric, around one of its global maxima. Compared to previous works on bandits in general spaces (Kleinberg et al., 2008; Bubeck et al., 2011a) our algorithm does not require the knowledge of this semi-metric. Our algorithm, StoSOO, follows an optimistic strategy to iteratively construct upper confidence bounds over the hierarchical partitions of the function domain to decide which point to sample next. A finite-time analysis of StoSOO shows that it performs almost as well as the best specifically-tuned algorithms even though the local smoothness of the function is not known.

Evaluating large language models at scale remains a practical bottleneck for many organizations. While existing evaluation frameworks work well for thousands of examples, they struggle when datasets grow to hundreds of thousands or millions of samples. This scale is common when assessing model behavior across diverse domains or conducting comprehensive regression testing. We present Spark-LLM-Eval, a distributed evaluation framework built natively on Apache Spark. The system treats evaluation as a data-parallel problem, partitioningexamplesacrossexecutorsandaggregatingresultswithproperstatistical accounting. Beyond raw throughput, we emphasize statistical rigor: every reported metric includes bootstrap confidence intervals, and model comparisons come with appropriate significance tests (paired t-tests, McNemar's test, or Wilcoxon signed-rank, depending on the metric type). The framework also addresses the cost problem inherent in LLM evaluation through content-addressable response caching backed by Delta Lake, which allows iterating on metric definitions without re-running inference. We describe the system architecture, the statistical methodology, and report benchmark results showing linear scaling with cluster size. The framework and all evaluation code are available as open source.

A supervised learning algorithm searches over a set of functions A to B parametrised by a space P to find the best approximation to some ideal function fcolon A to B. It does this by taking examples (a,f(a)) in Atimes B, and updating the parameter according to some rule. We define a category where these update rules may be composed, and show that gradient descent---with respect to a fixed step size and an error function satisfying a certain property---defines a monoidal functor from a category of parametrised functions to this category of update rules. This provides a structural perspective on backpropagation, as well as a broad generalisation of neural networks.

We extend conformal prediction to control the expected value of any monotone loss function. The algorithm generalizes split conformal prediction together with its coverage guarantee. Like conformal prediction, the conformal risk control procedure is tight up to an O(1/n) factor. We also introduce extensions of the idea to distribution shift, quantile risk control, multiple and adversarial risk control, and expectations of U-statistics. Worked examples from computer vision and natural language processing demonstrate the usage of our algorithm to bound the false negative rate, graph distance, and token-level F1-score.

In this paper, we present a pure-Python library called PyPop7 for black-box optimization (BBO). As population-based methods are becoming increasingly popular for BBO, our design goal is to provide a unified API and elegant implementations for them, particularly in high-dimensional cases. Since population-based methods suffer easily from the curse of dimensionality owing to their random sampling nature, various improvements have been proposed to alleviate this issue via exploiting possible problem structures: such as space decomposition, low-memory approximation, low-rank metric learning, variance reduction, ensemble of random subspaces, model self-adaptation, and smoothing. Now PyPop7 has covered these advances with >72 versions and variants of 13 BBO algorithm families from different research communities. Its open-source code and full-fledged documents are available at https://github.com/Evolutionary-Intelligence/pypop and https://pypop.readthedocs.io, respectively.

We investigate the extent to which offline demonstration data can improve online learning. It is natural to expect some improvement, but the question is how, and by how much? We show that the degree of improvement must depend on the quality of the demonstration data. To generate portable insights, we focus on Thompson sampling (TS) applied to a multi-armed bandit as a prototypical online learning algorithm and model. The demonstration data is generated by an expert with a given competence level, a notion we introduce. We propose an informed TS algorithm that utilizes the demonstration data in a coherent way through Bayes' rule and derive a prior-dependent Bayesian regret bound. This offers insight into how pretraining can greatly improve online performance and how the degree of improvement increases with the expert's competence level. We also develop a practical, approximate informed TS algorithm through Bayesian bootstrapping and show substantial empirical regret reduction through experiments.