Daily Papers

Backdoor and data poisoning attacks can achieve high attack success while evading existing spectral and optimisation based defences. We show that this behaviour is not incidental, but arises from a fundamental geometric mechanism in input space. Using kernel ridge regression as an exact model of wide neural networks, we prove that clustered dirty label poisons induce a rank one spike in the input Hessian whose magnitude scales quadratically with attack efficacy. Crucially, for nonlinear kernels we identify a near clone regime in which poison efficacy remains order one while the induced input curvature vanishes, making the attack provably spectrally undetectable. We further show that input gradient regularisation contracts poison aligned Fisher and Hessian eigenmodes under gradient flow, yielding an explicit and unavoidable safety efficacy trade off by reducing data fitting capacity. For exponential kernels, this defence admits a precise interpretation as an anisotropic high pass filter that increases the effective length scale and suppresses near clone poisons. Extensive experiments on linear models and deep convolutional networks across MNIST and CIFAR 10 and CIFAR 100 validate the theory, demonstrating consistent lags between attack success and spectral visibility, and showing that regularisation and data augmentation jointly suppress poisoning. Our results establish when backdoors are inherently invisible, and provide the first end to end characterisation of poisoning, detectability, and defence through input space curvature.

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.

Transformers have demonstrated effectiveness in in-context solving data-fitting problems from various (latent) models, as reported by Garg et al. However, the absence of an inherent iterative structure in the transformer architecture presents a challenge in emulating the iterative algorithms, which are commonly employed in traditional machine learning methods. To address this, we propose the utilization of looped transformer architecture and its associated training methodology, with the aim of incorporating iterative characteristics into the transformer architectures. Experimental results suggest that the looped transformer achieves performance comparable to the standard transformer in solving various data-fitting problems, while utilizing less than 10\% of the parameter count.

The success of large pretrained models in natural language processing (NLP) and computer vision (CV) has opened new avenues for constructing foundation models for time series forecasting (TSF). Traditional TSF foundation models rely heavily on numerical data fitting. In contrast, the human brain is inherently skilled at processing visual information, prefer predicting future trends by observing visualized sequences. From a biomimetic perspective, utilizing models to directly process numerical sequences might not be the most effective route to achieving Artificial General Intelligence (AGI). This paper proposes ViTime, a novel Visual Intelligence-based foundation model for TSF. ViTime overcomes the limitations of numerical time series data fitting by utilizing visual data processing paradigms and employs a innovative data synthesis method during training, called Real Time Series (RealTS). Experiments on a diverse set of previously unseen forecasting datasets demonstrate that ViTime achieves state-of-the-art zero-shot performance, even surpassing the best individually trained supervised models in some situations. These findings suggest that visual intelligence can significantly enhance time series analysis and forecasting, paving the way for more advanced and versatile models in the field. The code for our framework is accessible at https://github.com/IkeYang/ViTime.

A good model for action-effect prediction, named environment model, is important to achieve sample-efficient decision-making policy learning in many domains like robot control, recommender systems, and patients' treatment selection. We can take unlimited trials with such a model to identify the appropriate actions so that the costs of queries in the real world can be saved. It requires the model to handle unseen data correctly, also called counterfactual data. However, standard data fitting techniques do not automatically achieve such generalization ability and commonly result in unreliable models. In this work, we introduce counterfactual-query risk minimization (CQRM) in model learning for generalizing to a counterfactual dataset queried by a specific target policy. Since the target policies can be various and unknown in policy learning, we propose an adversarial CQRM objective in which the model learns on counterfactual data queried by adversarial policies, and finally derive a tractable solution GALILEO. We also discover that adversarial CQRM is closely related to the adversarial model learning, explaining the effectiveness of the latter. We apply GALILEO in synthetic tasks and a real-world application. The results show that GALILEO makes accurate predictions on counterfactual data and thus significantly improves policies in real-world testing.

Planning effective interventions in biological systems requires treatment-effect models that adapt to unseen biological contexts by identifying their specific underlying mechanisms. Yet single-cell perturbation datasets span only a handful of biological contexts, and existing methods cannot leverage new interventional evidence at inference time to adapt beyond their training data. To meta-learn a perturbation effect estimator, we present MapPFN, a prior-data fitted network (PFN) pretrained on synthetic data generated from a prior over causal perturbations. Given a set of experiments, MapPFN uses in-context learning to predict post-perturbation distributions, without gradient-based optimization. Despite being pretrained on in silico gene knockouts alone, MapPFN identifies differentially expressed genes, matching the performance of models trained on real single-cell data. Our code and data are available at https://github.com/marvinsxtr/MapPFN.

In this paper, we propose to use the general L^2-based Sobolev norms, i.e., H^s norms where sin R, to measure the data discrepancy due to noise in image processing tasks that are formulated as optimization problems. As opposed to a popular trend of developing regularization methods, we emphasize that an implicit regularization effect can be achieved through the class of Sobolev norms as the data-fitting term. Specifically, we analyze that the implicit regularization comes from the weights that the H^s norm imposes on different frequency contents of an underlying image. We further analyze the underlying noise assumption of using the Sobolev norm as the data-fitting term from a Bayesian perspective, build the connections with the Sobolev gradient-based methods and discuss the preconditioning effects on the convergence rate of the gradient descent algorithm, leading to a better understanding of functional spaces/metrics and the optimization process involved in image processing. Numerical results in full waveform inversion, image denoising and deblurring demonstrate the implicit regularization effects.

We propose a hybrid neural network (NN) and PDE approach for learning generalizable PDE dynamics from motion observations. Many NN approaches learn an end-to-end model that implicitly models both the governing PDE and constitutive models (or material models). Without explicit PDE knowledge, these approaches cannot guarantee physical correctness and have limited generalizability. We argue that the governing PDEs are often well-known and should be explicitly enforced rather than learned. Instead, constitutive models are particularly suitable for learning due to their data-fitting nature. To this end, we introduce a new framework termed "Neural Constitutive Laws" (NCLaw), which utilizes a network architecture that strictly guarantees standard constitutive priors, including rotation equivariance and undeformed state equilibrium. We embed this network inside a differentiable simulation and train the model by minimizing a loss function based on the difference between the simulation and the motion observation. We validate NCLaw on various large-deformation dynamical systems, ranging from solids to fluids. After training on a single motion trajectory, our method generalizes to new geometries, initial/boundary conditions, temporal ranges, and even multi-physics systems. On these extremely out-of-distribution generalization tasks, NCLaw is orders-of-magnitude more accurate than previous NN approaches. Real-world experiments demonstrate our method's ability to learn constitutive laws from videos.

Inspired by the Kolmogorov-Arnold representation theorem, we propose Kolmogorov-Arnold Networks (KANs) as promising alternatives to Multi-Layer Perceptrons (MLPs). While MLPs have fixed activation functions on nodes ("neurons"), KANs have learnable activation functions on edges ("weights"). KANs have no linear weights at all -- every weight parameter is replaced by a univariate function parametrized as a spline. We show that this seemingly simple change makes KANs outperform MLPs in terms of accuracy and interpretability. For accuracy, much smaller KANs can achieve comparable or better accuracy than much larger MLPs in data fitting and PDE solving. Theoretically and empirically, KANs possess faster neural scaling laws than MLPs. For interpretability, KANs can be intuitively visualized and can easily interact with human users. Through two examples in mathematics and physics, KANs are shown to be useful collaborators helping scientists (re)discover mathematical and physical laws. In summary, KANs are promising alternatives for MLPs, opening opportunities for further improving today's deep learning models which rely heavily on MLPs.

We propose a class of greedy algorithms for weighted sparse recovery by considering new loss function-based generalizations of Orthogonal Matching Pursuit (OMP). Given a (regularized) loss function, the proposed algorithms alternate the iterative construction of the signal support via greedy index selection and a signal update based on solving a local data-fitting problem restricted to the current support. We show that greedy selection rules associated with popular weighted sparsity-promoting loss functions admit explicitly computable and simple formulas. Specifically, we consider ell^0 - and ell^1 -based versions of the weighted LASSO (Least Absolute Shrinkage and Selection Operator), the Square-Root LASSO (SR-LASSO) and the Least Absolute Deviations LASSO (LAD-LASSO). Through numerical experiments on Gaussian compressive sensing and high-dimensional function approximation, we demonstrate the effectiveness of the proposed algorithms and empirically show that they inherit desirable characteristics from the corresponding loss functions, such as SR-LASSO's noise-blind optimal parameter tuning and LAD-LASSO's fault tolerance. In doing so, our study sheds new light on the connection between greedy sparse recovery and convex relaxation.

Dictionary learning is a key tool for representation learning, that explains the data as linear combination of few basic elements. Yet, this analysis is not amenable in the context of graph learning, as graphs usually belong to different metric spaces. We fill this gap by proposing a new online Graph Dictionary Learning approach, which uses the Gromov Wasserstein divergence for the data fitting term. In our work, graphs are encoded through their nodes' pairwise relations and modeled as convex combination of graph atoms, i.e. dictionary elements, estimated thanks to an online stochastic algorithm, which operates on a dataset of unregistered graphs with potentially different number of nodes. Our approach naturally extends to labeled graphs, and is completed by a novel upper bound that can be used as a fast approximation of Gromov Wasserstein in the embedding space. We provide numerical evidences showing the interest of our approach for unsupervised embedding of graph datasets and for online graph subspace estimation and tracking.

Low-Rank Adaptation (LoRA) has achieved remarkable training results by freezing the original weights and training only low-rank matrices, establishing itself as the predominant fine-tuning method for LLMs. In pursuit of performance closer to full-parameter training, a series of LoRA variants have emerged, such as LoRA+, PISSA, Olora, and LoRA-GA. However, these improvements complicate the initial setup of model training and increase initialization time. More importantly, they overlook the internal interactions of the original weight information. To address these issues, we introduce a novel theory, ``Weight Guide'' aimed at continuously guiding trainable matrices through the original weights during training to enhance the utilization of weight information. Based on this theory, we designed a new PEFT technique called Bone (Block Affine), which not only enhances the utilization of original weight information but also emphasizes the internal connections between weights, leading to faster convergence and better data fitting. Experimental comparisons across two different LLM architectures (LLaMA2, RWKV6) and various parameter scales demonstrate that the Bone structure can achieve rapid convergence and superior data fitting without the need for complex initialization. For example, when fine-tuning LLaMA2-7B on the MetaMathQA dataset and validating on GSM8k and math benchmarks, Bone achieved fine-tuning scores of 49.36 and 8.8, respectively, outperforming PISSA by 5.84\% and 1.96\%.

We introduce the concept of "universal password model" -- a password model that, once pre-trained, can automatically adapt its guessing strategy based on the target system. To achieve this, the model does not need to access any plaintext passwords from the target credentials. Instead, it exploits users' auxiliary information, such as email addresses, as a proxy signal to predict the underlying password distribution. Specifically, the model uses deep learning to capture the correlation between the auxiliary data of a group of users (e.g., users of a web application) and their passwords. It then exploits those patterns to create a tailored password model for the target system at inference time. No further training steps, targeted data collection, or prior knowledge of the community's password distribution is required. Besides improving over current password strength estimation techniques and attacks, the model enables any end-user (e.g., system administrators) to autonomously generate tailored password models for their systems without the often unworkable requirements of collecting suitable training data and fitting the underlying machine learning model. Ultimately, our framework enables the democratization of well-calibrated password models to the community, addressing a major challenge in the deployment of password security solutions at scale.

The structure learning problem consists of fitting data generated by a Directed Acyclic Graph (DAG) to correctly reconstruct its arcs. In this context, differentiable approaches constrain or regularize the optimization problem using a continuous relaxation of the acyclicity property. The computational cost of evaluating graph acyclicity is cubic on the number of nodes and significantly affects scalability. In this paper we introduce COSMO, a constraint-free continuous optimization scheme for acyclic structure learning. At the core of our method, we define a differentiable approximation of an orientation matrix parameterized by a single priority vector. Differently from previous work, our parameterization fits a smooth orientation matrix and the resulting acyclic adjacency matrix without evaluating acyclicity at any step. Despite the absence of explicit constraints, we prove that COSMO always converges to an acyclic solution. In addition to being asymptotically faster, our empirical analysis highlights how COSMO performance on graph reconstruction compares favorably with competing structure learning methods.

Alignment of Large Language Models (LLMs) aims to align outputs with human preferences, and personalized alignment further adapts models to individual users. This relies on personalized reward models that capture user-specific preferences and automatically provide individualized feedback. However, developing these models faces two critical challenges: the scarcity of feedback from individual users and the need for efficient adaptation to unseen users. We argue that addressing these constraints requires a paradigm shift from fitting data to learn user preferences to learn the process of preference adaptation. To realize this, we propose Meta Reward Modeling (MRM), which reformulates personalized reward modeling as a meta-learning problem. Specifically, we represent each user's reward model as a weighted combination of base reward functions, and optimize the initialization of these weights using a Model-Agnostic Meta-Learning (MAML)-style framework to support fast adaptation under limited feedback. To ensure robustness, we introduce the Robust Personalization Objective (RPO), which places greater emphasis on hard-to-learn users during meta optimization. Extensive experiments on personalized preference datasets validate that MRM enhances few-shot personalization, improves user robustness, and consistently outperforms baselines.

The past year has witnessed the rapid development of applying the Transformer module to vision problems. While some researchers have demonstrated that Transformer-based models enjoy a favorable ability of fitting data, there are still growing number of evidences showing that these models suffer over-fitting especially when the training data is limited. This paper offers an empirical study by performing step-by-step operations to gradually transit a Transformer-based model to a convolution-based model. The results we obtain during the transition process deliver useful messages for improving visual recognition. Based on these observations, we propose a new architecture named Visformer, which is abbreviated from the `Vision-friendly Transformer'. With the same computational complexity, Visformer outperforms both the Transformer-based and convolution-based models in terms of ImageNet classification accuracy, and the advantage becomes more significant when the model complexity is lower or the training set is smaller. The code is available at https://github.com/danczs/Visformer.

A dynamical model based on a phenomenological charm quark-nucleon(c-N) potential v_{cN} and the Pomeron-exchange mechanism is constructed to investigate the J/Psi photo-production on the nucleon from threshold to invariant mass W=300 GeV. The J/Psi-N potential,V_{J/Psi N}(r),is constructed by folding v_{cN} into the wavefunction Phi_{J/Psi}(cc) of J/Psi within a Constituent Quark Model(CQM) of Ref.[43]. A photo-production amplitude is also generated by v_{cN} by a cc-loop integration over the gammarightarrow cc vertex function and Phi_{J/Psi}(cc). No commonly used Vector Meson Dominance assumption is used to define this photo-production amplitude which is needed to describe the data near the threshold. The potential v_{cN}(r) is parameterized in a form such that the predicted V_{J/Psi N}(r) at large distances has the same Yukawa potential form extracted from a Lattice QCD(LQCD) calculation of Ref.[18]. The parameters of v_{cN} are determined by fitting the total cross section data of JLab by performing calculations that include J/Psi-N final state interactions(FSI). The resulting differential cross sections are found in good agreements with the data. It is shown that the FSI effects dominate the cross section in the very near threshold region, allowing for sensitive testing of the predicted J/Psi-N scattering amplitudes. By imposing the constraints of J/Psi-N potential extracted from the LQCD calculation, we have obtained three J/Psi-N potentials which fit the JLab data equally well. The resulting J/Psi-N scattering lengths are in the range of a=(-0.05 fm sim -0.25 fm). With the determined v_{cN}(r) and the wavefunctions generated from the same CQM, the constructed model is used to predict the cross sections of photo-production of eta_c(1S) and Psi(2S) mesons for future experimental tests.

The data mixture for large language model pre-training significantly impacts performance, yet how to determine an effective mixture remains unclear. We propose RegMix to automatically identify a high-performing data mixture by formulating it as a regression task. RegMix involves training a set of small models with diverse data mixtures and fitting a regression model to predict their performance given their respective mixtures. With the fitted regression model, we simulate the top-ranked mixture and use it to train a large-scale model with orders of magnitude more compute. To empirically validate RegMix, we train 512 models with 1M parameters for 1B tokens of different mixtures to fit the regression model and find the optimal mixture. Using this mixture we train a 1B parameter model for 25B tokens (i.e. 1000x larger and 25x longer) which we find performs best among 64 candidate 1B parameter models with other mixtures. Further, our method demonstrates superior performance compared to human selection and achieves results that match or surpass DoReMi, while utilizing only 10% of the compute budget. Our experiments also show that (1) Data mixtures significantly impact performance with single-task performance variations of up to 14.6%; (2) Web corpora rather than data perceived as high-quality like Wikipedia have the strongest positive correlation with downstream performance; (3) Domains interact in complex ways often contradicting common sense, thus automatic approaches like RegMix are needed; (4) Data mixture effects transcend scaling laws, and our approach captures the complexity by considering all domains together. Our code is available at https://github.com/sail-sg/regmix.

Multilevel data are prevalent in many real-world applications. However, it remains an open research problem to identify and justify a class of models that flexibly capture a wide range of multilevel data. Motivated by the versatility of the mixture of experts (MoE) models in fitting regression data, in this article we extend upon the MoE and study a class of mixed MoE (MMoE) models for multilevel data. Under some regularity conditions, we prove that the MMoE is dense in the space of any continuous mixed effects models in the sense of weak convergence. As a result, the MMoE has a potential to accurately resemble almost all characteristics inherited in multilevel data, including the marginal distributions, dependence structures, regression links, random intercepts and random slopes. In a particular case where the multilevel data is hierarchical, we further show that a nested version of the MMoE universally approximates a broad range of dependence structures of the random effects among different factor levels.

The study conducted by Shumailov et al. (2024) demonstrates that repeatedly training a generative model on synthetic data leads to model collapse. This finding has generated considerable interest and debate, particularly given that current models have nearly exhausted the available data. In this work, we investigate the effects of fitting a distribution (through Kernel Density Estimation, or KDE) or a model to the data, followed by repeated sampling from it. Our objective is to develop a theoretical understanding of the phenomenon observed by Shumailov et al. (2024). Our results indicate that the outcomes reported are a statistical phenomenon and may be unavoidable.

The paper shows that the application of the fixed-effect multiple linear regression model to an overparameterized dataset is equivalent to fitting the data with a hyper-curve parameterized by a single scalar parameter. This equivalence allows for a predictor-focused approach, where each predictor is described by a function of the chosen parameter. It is proven that a linear model will produce exact predictions even in the presence of nonlinear dependencies that violate the model assumptions. Parameterization in terms of the dependent variable and the monomial basis in the predictor function space are applied here to both synthetic and experimental data. The hyper-curve approach is especially suited for the regularization of problems with noise in predictor variables and can be used to remove noisy and "improper" predictors from the model.

Standard vision-language-action (VLA) models rely on fitting statistical data priors, limiting their robust understanding of underlying physical dynamics. Reinforcement learning enhances physical grounding through exploration yet typically relies on external reward signals that remain isolated from the agent's internal states. World action models have emerged as a promising paradigm that integrates imagination and control to enable predictive planning. However, they rely on implicit context modeling, lacking explicit mechanisms for self-improvement. To solve these problems, we propose Self-Correcting VLA (SC-VLA), which achieve self-improvement by intrinsically guiding action refinement through sparse imagination. We first design sparse world imagination by integrating auxiliary predictive heads to forecast current task progress and future trajectory trends, thereby constraining the policy to encode short-term physical evolution. Then we introduce the online action refinement module to reshape progress-dependent dense rewards, adjusting trajectory orientation based on the predicted sparse future states. Evaluations on challenging robot manipulation tasks from simulation benchmarks and real-world settings demonstrate that SC-VLA achieve state-of-the-art performance, yielding the highest task throughput with 16% fewer steps and a 9% higher success rate than the best-performing baselines, alongside a 14% gain in real-world experiments. Code is available at https://github.com/Kisaragi0/SC-VLA.

Conformal prediction offers a powerful framework for building distribution-free prediction intervals for exchangeable data. Existing methods that extend conformal prediction to sequential data rely on fitting a relatively complex model to capture temporal dependencies. However, these methods can fail if the sample size is small and often require expensive retraining when the underlying data distribution changes. To overcome these limitations, we propose Reservoir Conformal Prediction (ResCP), a novel training-free conformal prediction method for time series. Our approach leverages the efficiency and representation learning capabilities of reservoir computing to dynamically reweight conformity scores. In particular, we compute similarity scores among reservoir states and use them to adaptively reweight the observed residuals at each step. With this approach, ResCP enables us to account for local temporal dynamics when modeling the error distribution without compromising computational scalability. We prove that, under reasonable assumptions, ResCP achieves asymptotic conditional coverage, and we empirically demonstrate its effectiveness across diverse forecasting tasks.

Language understanding in the brain is context-dependent, varying across experimental stimuli and individuals, which makes it difficult to build computational models that generalize across both. This calls for a foundation model of language-evoked brain activity that can capture shared structure while adapting efficiently to new participants and inputs. We introduce RABBiT (Rapidly Adaptive BOLD foundation model via BraIn-Tuning), a compact audio-to-fMRI encoder designed for accurate zero- and few-shot prediction. A comprehensive evaluation on 324 participants across multiple unseen fMRI datasets shows that RABBiT enables accurate zero-shot prediction of fMRI responses to natural speech across auditory and language-selective regions, surpassing the SOTA foundation model for fMRI and predictions based on group averages. With as little as 10 minutes of participant-specific data, RABBiT further improves performance via parameter-efficient tuning, substantially outperforming per-participant linear models. RABBiT's performance is driven by two key innovations: (1) learned region-specific attention, and (2) a decomposition of brain responses into shared and subject-specific components, combined with a brain-tuned speech backbone. In addition to supporting strong predictive accuracy, the structured, region-specific representations that RABBiT learns enable interpretability. By eliminating the need for extensive per-participant data and model fitting, RABBiT enables scalable population-level analyses of language in the human brain. We make the code available at https://github.com/bridge-ai-neuro/rabbit.

Grokking is the intriguing phenomenon where a model learns to generalize long after it has fit the training data. We show both analytically and numerically that grokking can surprisingly occur in linear networks performing linear tasks in a simple teacher-student setup with Gaussian inputs. In this setting, the full training dynamics is derived in terms of the training and generalization data covariance matrix. We present exact predictions on how the grokking time depends on input and output dimensionality, train sample size, regularization, and network initialization. We demonstrate that the sharp increase in generalization accuracy may not imply a transition from "memorization" to "understanding", but can simply be an artifact of the accuracy measure. We provide empirical verification for our calculations, along with preliminary results indicating that some predictions also hold for deeper networks, with non-linear activations.

A refined semi-holographic non-Fermi liquid model, in which carrier electrons hybridize with operators of a holographic critical sector, has been proposed recently for strange metallic behavior. The model, consistently with effective theory approach, has two couplings whose ratio is related to the doping. We explain the origin of the linear-in-T resistivity and strange metallic behavior as a consequence of the emergence of a universal form of the spectral function which is independent of the model parameters when the ratio of the two couplings take optimal values determined only by the critical exponent. This universal form fits well with photoemission data of copper oxide samples for under/optimal/over-doping with a fixed exponent over a wide range of temperatures. We further obtain a refined Planckian dissipation scenario in which the scattering time τ= f cdot hbar /(k_B T), with f being O(1) at strong coupling, but O(10) at weak coupling.

Massively parallel simulation changes the data regime in which off-policy reinforcement learning (RL) is trained, challenging stabilizers designed for data-limited replay. Through controlled experiments across eight benchmark families, we show that these stabilizers are data-regime-dependent: parameter normalization helps with narrow replay coverage but restricts value fitting when data are abundant, while clipped double-Q can be relaxed in high-throughput manipulation. Age-biased replay weighting improves learning efficiency across regimes, especially with limited network capacity. Based on these findings, we propose WarpSAC, a regime-aware family of off-policy RL algorithms. WarpSAC uses Sample Weight Decay for efficient exploitation and provides two variants: WarpSAC-L (Norm ON, clipped double-Q) for data-limited CPU-scale training, and WarpSAC-A (Norm OFF, single-Q) for data-abundant GPU-parallel training. WarpSAC improves normalized score--step AUC over FlashSAC by 4.5% across nine CPU-scale environments and 23.1% across fourteen GPU-parallel environments. It increases UnitreeG1TransportBox-v1 success rate from 19.8% to 96.4%, improves mean normalized wall-time AUC on MuJoCo Playground by 19.1%, and achieves 36.4% faster sim-to-real deployment on Unitree G1 than FlashSAC. These results show that scalable off-policy RL should adapt its stabilizers to the available data regime.

Bayesian Neural Networks with Latent Variables (BNN+LVs) capture predictive uncertainty by explicitly modeling model uncertainty (via priors on network weights) and environmental stochasticity (via a latent input noise variable). In this work, we first show that BNN+LV suffers from a serious form of non-identifiability: explanatory power can be transferred between the model parameters and latent variables while fitting the data equally well. We demonstrate that as a result, in the limit of infinite data, the posterior mode over the network weights and latent variables is asymptotically biased away from the ground-truth. Due to this asymptotic bias, traditional inference methods may in practice yield parameters that generalize poorly and misestimate uncertainty. Next, we develop a novel inference procedure that explicitly mitigates the effects of likelihood non-identifiability during training and yields high-quality predictions as well as uncertainty estimates. We demonstrate that our inference method improves upon benchmark methods across a range of synthetic and real data-sets.

In recent years, Few-Shot Object Detection (FSOD) has gained widespread attention and made significant progress due to its ability to build models with a good generalization power using extremely limited annotated data. The fine-tuning based paradigm is currently dominating this field, where detectors are initially pre-trained on base classes with sufficient samples and then fine-tuned on novel ones with few samples, but the scarcity of labeled samples of novel classes greatly interferes precisely fitting their data distribution, thus hampering the performance. To address this issue, we propose a new framework for FSOD, namely Prototype-based Soft-labels and Test-Time Learning (PS-TTL). Specifically, we design a Test-Time Learning (TTL) module that employs a mean-teacher network for self-training to discover novel instances from test data, allowing detectors to learn better representations and classifiers for novel classes. Furthermore, we notice that even though relatively low-confidence pseudo-labels exhibit classification confusion, they still tend to recall foreground. We thus develop a Prototype-based Soft-labels (PS) strategy through assessing similarities between low-confidence pseudo-labels and category prototypes as soft-labels to unleash their potential, which substantially mitigates the constraints posed by few-shot samples. Extensive experiments on both the VOC and COCO benchmarks show that PS-TTL achieves the state-of-the-art, highlighting its effectiveness. The code and model are available at https://github.com/gaoyingjay/PS-TTL.

Model selection/optimization in conformal inference is challenging, since it may break the exchangeability between labeled and unlabeled data. We study this problem in the context of conformal selection, which uses conformal p-values to select ``interesting'' instances with large unobserved labels from a pool of unlabeled data, while controlling the FDR in finite sample. For validity, existing solutions require the model choice to be independent of the data used to construct the p-values and calibrate the selection set. However, when presented with many model choices and limited labeled data, it is desirable to (i) select the best model in a data-driven manner, and (ii) mitigate power loss due to sample splitting. This paper presents OptCS, a general framework that allows valid statistical testing (selection) after flexible data-driven model optimization. We introduce general conditions under which OptCS constructs valid conformal p-values despite substantial data reuse and handles complex p-value dependencies to maintain finite-sample FDR control via a novel multiple testing procedure. We instantiate this general recipe to propose three FDR-controlling procedures, each optimizing the models differently: (i) selecting the most powerful one among multiple pre-trained candidate models, (ii) using all data for model fitting without sample splitting, and (iii) combining full-sample model fitting and selection. We demonstrate the efficacy of our methods via simulation studies and real applications in drug discovery and alignment of large language models in radiology report generation.

In this paper, we introduce FITS, a lightweight yet powerful model for time series analysis. Unlike existing models that directly process raw time-domain data, FITS operates on the principle that time series can be manipulated through interpolation in the complex frequency domain. By discarding high-frequency components with negligible impact on time series data, FITS achieves performance comparable to state-of-the-art models for time series forecasting and anomaly detection tasks, while having a remarkably compact size of only approximately 10k parameters. Such a lightweight model can be easily trained and deployed in edge devices, creating opportunities for various applications. The code is available in: https://github.com/VEWOXIC/FITS

Pretraining data of large language models composes multiple domains (e.g., web texts, academic papers, codes), whose mixture proportions crucially impact the competence of outcome models. While existing endeavors rely on heuristics or qualitative strategies to tune the proportions, we discover the quantitative predictability of model performance regarding the mixture proportions in function forms, which we refer to as the data mixing laws. Fitting such functions on sample mixtures unveils model performance on unseen mixtures before actual runs, thus guiding the selection of an ideal data mixture. Furthermore, we propose nested use of the scaling laws of training steps, model sizes, and our data mixing law to enable predicting the performance of large models trained on massive data under various mixtures with only small-scale training. Moreover, experimental results verify that our method effectively optimizes the training mixture of a 1B model trained for 100B tokens in RedPajama, reaching a performance comparable to the one trained for 48% more steps on the default mixture. Extending the application of data mixing laws to continual training accurately predicts the critical mixture proportion that avoids catastrophic forgetting and outlooks the potential for dynamic data schedules

In Large Language Model (LLM) training, data mixing plays a pivotal role in determining model performance. Recent methods optimize mixture weights via proxy models, but they rely on the assumption of static data distributions. As a result, when the underlying data pool shifts, these methods require costly retraining from scratch. This limitation restricts their ability to scale seamlessly from small settings to larger data pools and model sizes. In this paper, we propose CausalMix to address this limitation by casting data mixture optimization as a causal inference problem. We formulate the statistical features of the data pool as covariates and the domain mixture as the treatment. After fitting a causal model on 512 runs of Qwen2.5-0.5B to estimate the Conditional Average Treatment Effect (CATE), we extrapolate the optimal mixture for an 800K data pool and apply it to train a 7B model. Furthermore, we successfully generalize the framework to long chain-of-thought data on Qwen3-4B-Base. By leveraging causal modeling to isolate confounding biases, CausalMix dynamically infers state-dependent optimal data mixtures. Extensive experiments show that the mixture guided by CausalMix consistently improves performance across multiple downstream tasks, outperforming RegMix and other baselines. In addition, we use the CATE Interpreter to provide visual analysis of the learned mixing strategy. Overall, CausalMix offers a causal and interpretable framework for optimizing LLM data mixtures.

The increasing use of generative models such as diffusion models for synthetic data augmentation has greatly reduced the cost of data collection and labeling in downstream perception tasks. However, this new data source paradigm may introduce important security concerns. Publicly available generative models are often reused without verification, raising a fundamental question of their safety and trustworthiness. This work investigates backdoor propagation in such emerging generative data supply chain, namely, Data-Chain Backdoor (DCB). Specifically, we find that open-source diffusion models can become hidden carriers of backdoors. Their strong distribution-fitting ability causes them to memorize and reproduce backdoor triggers in generation, which are subsequently inherited by downstream models, resulting in severe security risks. This threat is particularly concerning under clean-label attack scenarios, as it remains effective while having negligible impact on the utility of the synthetic data. We study two attacker choices to obtain a backdoor-carried generator, training from scratch and fine-tuning. While naive fine-tuning leads to weak inheritance of the backdoor, we find that novel designs in the loss objectives and trigger processing can substantially improve the generator's ability to preserve trigger patterns, making fine-tuning a low-cost attack path. We evaluate the effectiveness of DCB under the standard augmentation protocol and further assess data-scarce settings. Across multiple trigger types, we observe that the trigger pattern can be consistently retained in the synthetic data with attack efficacy comparable to the conventional backdoor attack.

Anomaly Detection (AD) in images is a fundamental computer vision problem and refers to identifying images and image substructures that deviate significantly from the norm. Popular AD algorithms commonly try to learn a model of normality from scratch using task specific datasets, but are limited to semi-supervised approaches employing mostly normal data due to the inaccessibility of anomalies on a large scale combined with the ambiguous nature of anomaly appearance. We follow an alternative approach and demonstrate that deep feature representations learned by discriminative models on large natural image datasets are well suited to describe normality and detect even subtle anomalies in a transfer learning setting. Our model of normality is established by fitting a multivariate Gaussian (MVG) to deep feature representations of classification networks trained on ImageNet using normal data only. By subsequently applying the Mahalanobis distance as the anomaly score we outperform the current state of the art on the public MVTec AD dataset, achieving an AUROC value of 95.8 pm 1.2 (mean pm SEM) over all 15 classes. We further investigate why the learned representations are discriminative to the AD task using Principal Component Analysis. We find that the principal components containing little variance in normal data are the ones crucial for discriminating between normal and anomalous instances. This gives a possible explanation to the often sub-par performance of AD approaches trained from scratch using normal data only. By selectively fitting a MVG to these most relevant components only, we are able to further reduce model complexity while retaining AD performance. We also investigate setting the working point by selecting acceptable False Positive Rate thresholds based on the MVG assumption. Code available at https://github.com/ORippler/gaussian-ad-mvtec

Skeletonization is a popular shape analysis technique that models an object's interior as opposed to just its boundary. Fitting template-based skeletal models is a time-consuming process requiring much manual parameter tuning. Recently, machine learning-based methods have shown promise for generating s-reps from object boundaries. In this work, we propose a new skeletonization method which leverages graph convolutional networks to produce skeletal representations (s-reps) from dense segmentation masks. The method is evaluated on both synthetic data and real hippocampus segmentations, achieving promising results and fast inference.

Data augmentation is an effective approach to tackle over-fitting. Many previous works have proposed different data augmentations strategies for NLP, such as noise injection, word replacement, back-translation etc. Though effective, they missed one important characteristic of language--compositionality, meaning of a complex expression is built from its sub-parts. Motivated by this, we propose a compositional data augmentation approach for natural language understanding called TreeMix. Specifically, TreeMix leverages constituency parsing tree to decompose sentences into constituent sub-structures and the Mixup data augmentation technique to recombine them to generate new sentences. Compared with previous approaches, TreeMix introduces greater diversity to the samples generated and encourages models to learn compositionality of NLP data. Extensive experiments on text classification and SCAN demonstrate that TreeMix outperforms current state-of-the-art data augmentation methods.

Scaling laws for dense LLMs under infinite data are well explored, but how sparsity interacts with limited data is not. In this work, we study sparse training in data-constrained regimes where limited unique tokens require multi-epoch training. Our experiments span models up to 1.92B parameters in the fitting set, sparsity up to 93.75%, unique data budgets up to 2.6B tokens, and total training tokens up to 41.6B over 16 epochs; we further validate extrapolation on held-out dense-equivalent models up to 7.68B parameters. We find that: 1. Sparse scaling in data-limited settings: We introduce a scaling law that models loss as a function of active parameters, unique tokens, data repetition, and sparsity, accurately predicting performance across compute and data budgets. 2. Delayed data saturation: sparse training postpones diminishing returns from repeated data, making multi-epoch training more effective. 3. Resource trade-offs: With fixed data, loss-optimal sparsity is moderate ~ 50%, while compute-optimal sparsity is higher and grows with data scale. Overall, sparsity is not just a tool for efficiency, but a mechanism for improving scaling trade-offs under data scarcity. Our code is available at: https://github.com/boqian333/sparse-dc-scaling.

Power-law distributions occur in many situations of scientific interest and have significant consequences for our understanding of natural and man-made phenomena. Unfortunately, the detection and characterization of power laws is complicated by the large fluctuations that occur in the tail of the distribution -- the part of the distribution representing large but rare events -- and by the difficulty of identifying the range over which power-law behavior holds. Commonly used methods for analyzing power-law data, such as least-squares fitting, can produce substantially inaccurate estimates of parameters for power-law distributions, and even in cases where such methods return accurate answers they are still unsatisfactory because they give no indication of whether the data obey a power law at all. Here we present a principled statistical framework for discerning and quantifying power-law behavior in empirical data. Our approach combines maximum-likelihood fitting methods with goodness-of-fit tests based on the Kolmogorov-Smirnov statistic and likelihood ratios. We evaluate the effectiveness of the approach with tests on synthetic data and give critical comparisons to previous approaches. We also apply the proposed methods to twenty-four real-world data sets from a range of different disciplines, each of which has been conjectured to follow a power-law distribution. In some cases we find these conjectures to be consistent with the data while in others the power law is ruled out.

Estimating causal effect using machine learning (ML) algorithms can help to relax functional form assumptions if used within appropriate frameworks. However, most of these frameworks assume settings with cross-sectional data, whereas researchers often have access to panel data, which in traditional methods helps to deal with unobserved heterogeneity between units. In this paper, we explore how we can adapt double/debiased machine learning (DML) (Chernozhukov et al., 2018) for panel data in the presence of unobserved heterogeneity. This adaptation is challenging because DML's cross-fitting procedure assumes independent data and the unobserved heterogeneity is not necessarily additively separable in settings with nonlinear observed confounding. We assess the performance of several intuitively appealing estimators in a variety of simulations. While we find violations of the cross-fitting assumptions to be largely inconsequential for the accuracy of the effect estimates, many of the considered methods fail to adequately account for the presence of unobserved heterogeneity. However, we find that using predictive models based on the correlated random effects approach (Mundlak, 1978) within DML leads to accurate coefficient estimates across settings, given a sample size that is large relative to the number of observed confounders. We also show that the influence of the unobserved heterogeneity on the observed confounders plays a significant role for the performance of most alternative methods.

Acoustic- and elastic-waveform inversion is an important and widely used method to reconstruct subsurface velocity image. Waveform inversion is a typical non-linear and ill-posed inverse problem. Existing physics-driven computational methods for solving waveform inversion suffer from the cycle skipping and local minima issues, and not to mention solving waveform inversion is computationally expensive. In recent years, data-driven methods become a promising way to solve the waveform inversion problem. However, most deep learning frameworks suffer from generalization and over-fitting issue. In this paper, we developed a real-time data-driven technique and we call it VelocityGAN, to accurately reconstruct subsurface velocities. Our VelocityGAN is built on a generative adversarial network (GAN) and trained end-to-end to learn a mapping function from the raw seismic waveform data to the velocity image. Different from other encoder-decoder based data-driven seismic waveform inversion approaches, our VelocityGAN learns regularization from data and further impose the regularization to the generator so that inversion accuracy is improved. We further develop a transfer learning strategy based on VelocityGAN to alleviate the generalization issue. A series of experiments are conducted on the synthetic seismic reflection data to evaluate the effectiveness, efficiency, and generalization of VelocityGAN. We not only compare it with existing physics-driven approaches and data-driven frameworks but also conduct several transfer learning experiments. The experiment results show that VelocityGAN achieves state-of-the-art performance among the baselines and can improve the generalization results to some extent.

Direct prediction of 3D body pose and shape remains a challenge even for highly parameterized deep learning models. Mapping from the 2D image space to the prediction space is difficult: perspective ambiguities make the loss function noisy and training data is scarce. In this paper, we propose a novel approach (Neural Body Fitting (NBF)). It integrates a statistical body model within a CNN, leveraging reliable bottom-up semantic body part segmentation and robust top-down body model constraints. NBF is fully differentiable and can be trained using 2D and 3D annotations. In detailed experiments, we analyze how the components of our model affect performance, especially the use of part segmentations as an explicit intermediate representation, and present a robust, efficiently trainable framework for 3D human pose estimation from 2D images with competitive results on standard benchmarks. Code will be made available at http://github.com/mohomran/neural_body_fitting

Contemporary domain adaptation offers a practical solution for achieving cross-domain transfer of semantic segmentation between labeled source data and unlabeled target data. These solutions have gained significant popularity; however, they require the model to be retrained when the test environment changes. This can result in unbearable costs in certain applications due to the time-consuming training process and concerns regarding data privacy. One-shot domain adaptation methods attempt to overcome these challenges by transferring the pre-trained source model to the target domain using only one target data. Despite this, the referring style transfer module still faces issues with computation cost and over-fitting problems. To address this problem, we propose a novel framework called Informative Data Mining (IDM) that enables efficient one-shot domain adaptation for semantic segmentation. Specifically, IDM provides an uncertainty-based selection criterion to identify the most informative samples, which facilitates quick adaptation and reduces redundant training. We then perform a model adaptation method using these selected samples, which includes patch-wise mixing and prototype-based information maximization to update the model. This approach effectively enhances adaptation and mitigates the overfitting problem. In general, we provide empirical evidence of the effectiveness and efficiency of IDM. Our approach outperforms existing methods and achieves a new state-of-the-art one-shot performance of 56.7\%/55.4\% on the GTA5/SYNTHIA to Cityscapes adaptation tasks, respectively. The code will be released at https://github.com/yxiwang/IDM.

Neural field is an emerging paradigm in data representation that trains a neural network to approximate the given signal. A key obstacle that prevents its widespread adoption is the encoding speed-generating neural fields requires an overfitting of a neural network, which can take a significant number of SGD steps to reach the desired fidelity level. In this paper, we delve into the impacts of data transformations on the speed of neural field training, specifically focusing on how permuting pixel locations affect the convergence speed of SGD. Counterintuitively, we find that randomly permuting the pixel locations can considerably accelerate the training. To explain this phenomenon, we examine the neural field training through the lens of PSNR curves, loss landscapes, and error patterns. Our analyses suggest that the random pixel permutations remove the easy-to-fit patterns, which facilitate easy optimization in the early stage but hinder capturing fine details of the signal.

NeRFs have enabled highly realistic synthesis of human faces including complex appearance and reflectance effects of hair and skin. These methods typically require a large number of multi-view input images, making the process hardware intensive and cumbersome, limiting applicability to unconstrained settings. We propose a novel volumetric human face prior that enables the synthesis of ultra high-resolution novel views of subjects that are not part of the prior's training distribution. This prior model consists of an identity-conditioned NeRF, trained on a dataset of low-resolution multi-view images of diverse humans with known camera calibration. A simple sparse landmark-based 3D alignment of the training dataset allows our model to learn a smooth latent space of geometry and appearance despite a limited number of training identities. A high-quality volumetric representation of a novel subject can be obtained by model fitting to 2 or 3 camera views of arbitrary resolution. Importantly, our method requires as few as two views of casually captured images as input at inference time.

Galaxy clusters selected based on overdensities of galaxies in photometric surveys provide the largest cluster samples. Yet modeling the selection function of such samples is complicated by non-cluster members projected along the line of sight (projection effects) and the potential detection of unvirialized objects (contamination). We empirically constrain the magnitude of these effects by cross-matching galaxy clusters selected in the Dark Energy survey data with the \rdmpr, algorithm with significant detections in three South Pole Telescope surveys (SZ, pol-ECS, pol-500d). For matched clusters, we augment the \rdmpr,catalog by the SPT detection significance. For unmatched objects we use the SPT detection threshold as an upper limit on the SZe signature. Using a Bayesian population model applied to the collected multi-wavelength data, we explore various physically motivated models to describe the relationship between observed richness and halo mass. Our analysis reveals the limitations of a simple lognormal scatter model in describing the data. We rule out significant contamination by unvirialized objects at the high-richness end of the sample. While dedicated simulations offer a well-fitting calibration of projection effects, our findings suggest the presence of redshift-dependent trends that these simulations may not have captured. Our findings highlight that modeling the selection function of optically detected clusters remains a complicated challenge, requiring a combination of simulation and data-driven approaches.

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

Large language models (LLMs) have shown their potential in long-context understanding and mathematical reasoning. In this paper, we study the problem of using LLMs to detect tabular anomalies and show that pre-trained LLMs are zero-shot batch-level anomaly detectors. That is, without extra distribution-specific model fitting, they can discover hidden outliers in a batch of data, demonstrating their ability to identify low-density data regions. For LLMs that are not well aligned with anomaly detection and frequently output factual errors, we apply simple yet effective data-generating processes to simulate synthetic batch-level anomaly detection datasets and propose an end-to-end fine-tuning strategy to bring out the potential of LLMs in detecting real anomalies. Experiments on a large anomaly detection benchmark (ODDS) showcase i) GPT-4 has on-par performance with the state-of-the-art transductive learning-based anomaly detection methods and ii) the efficacy of our synthetic dataset and fine-tuning strategy in aligning LLMs to this task.

This study systematically compared data-driven and model-based strategies for metabolite quantification in magnetic resonance spectroscopy (MRS), focusing on resilience to out-of-distribution (OoD) effects and the balance between accuracy, robustness, and generalizability. A neural network designed for MRS quantification was trained using three distinct strategies: supervised regression, self-supervised learning, and test-time adaptation. These were compared against model-based fitting tools. Experiments combined large-scale simulated data, designed to probe metabolite concentration extrapolation and signal variability, with 1H single-voxel 7T in-vivo human brain spectra. In simulations, supervised learning achieved high accuracy for spectra similar to those in the training distribution, but showed marked degradation when extrapolated beyond the training distribution. Test-time adaptation proved more resilient to OoD effects, while self-supervised learning achieved intermediate performance. In-vivo experiments showed larger variance across the methods (data-driven and model-based) due to domain shift. Across all strategies, overlapping metabolites and baseline variability remained persistent challenges. While strong performance can be achieved by data-driven methods for MRS metabolite quantification, their reliability is contingent on careful consideration of the training distribution and potential OoD effects. When such conditions in the target distribution cannot be anticipated, test-time adaptation strategies ensure consistency between the quantification, the data, and the model, enabling reliable data-driven MRS pipelines.

Data-free quantization (DFQ) recovers the performance of quantized network (Q) without the original data, but generates the fake sample via a generator (G) by learning from full-precision network (P), which, however, is totally independent of Q, overlooking the adaptability of the knowledge from generated samples, i.e., informative or not to the learning process of Q, resulting into the overflow of generalization error. Building on this, several critical questions -- how to measure the sample adaptability to Q under varied bit-width scenarios? whether the largest adaptability is the best? how to generate the samples with adaptive adaptability to improve Q's generalization? To answer the above questions, in this paper, we propose an Adaptive Data-Free Quantization (AdaDFQ) method, which revisits DFQ from a zero-sum game perspective upon the sample adaptability between two players -- a generator and a quantized network. Following this viewpoint, we further define the disagreement and agreement samples to form two boundaries, where the margin is optimized to adaptively regulate the adaptability of generated samples to Q, so as to address the over-and-under fitting issues. Our AdaDFQ reveals: 1) the largest adaptability is NOT the best for sample generation to benefit Q's generalization; 2) the knowledge of the generated sample should not be informative to Q only, but also related to the category and distribution information of the training data for P. The theoretical and empirical analysis validate the advantages of AdaDFQ over the state-of-the-arts. Our code is available at https://github.com/hfutqian/AdaDFQ.

Post-training quantization (PTQ) has emerged as a widely adopted technique for compressing and accelerating Large Language Models (LLMs). The major challenge in LLM quantization is that uneven and heavy-tailed data distributions can expand the quantization range, thereby reducing bit precision for most values. Recent methods attempt to eliminate outliers and balance inter-channel differences by employing linear transformations; however, they remain heuristic and are often overlook optimizing the data distribution across the entire quantization space.In this paper, we introduce Quantization Space Utilization Rate (QSUR), a novel metric that effectively assesses the quantizability of transformed data by measuring the space utilization of the data in the quantization space. We complement QSUR with mathematical derivations that examine the effects and limitations of various transformations, guiding our development of Orthogonal and Scaling Transformation-based Quantization (OSTQuant). OSQuant employs a learnable equivalent transformation, consisting of an orthogonal transformation and a scaling transformation, to optimize the distributions of weights and activations across the entire quantization space. Futhermore, we propose the KL-Top loss function, designed to mitigate noise during optimization while retaining richer semantic information within the limited calibration data imposed by PTQ. OSTQuant outperforms existing work on various LLMs and benchmarks. In the W4-only setting, it retains 99.5\% of the floating-point accuracy. In the more challenging W4A4KV4 configuration, OSTQuant reduces the performance gap by 32\% on the LLaMA-3-8B model compared to state-of-the-art methods. https://github.com/BrotherHappy/OSTQuant{https://github.com/BrotherHappy/OSTQuant}.

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

The rise of autonomous AI agents suggests that dynamic benchmark environments with built-in feedback on scientifically grounded tasks are needed to evaluate the capabilities of these agents in research work. We introduce Stargazer, a scalable environment for evaluating AI agents on dynamic, iterative physics-grounded model-fitting tasks using inference on radial-velocity (RV) time series data. Stargazer comprises 120 tasks across three difficulty tiers, including 20 real archival cases, covering diverse scenarios ranging from high-SNR single-planet systems to complex multi-planetary configurations requiring involved low-SNR analysis. Our evaluation of eight frontier agents reveals a gap between numerical optimization and adherence to physical constraints: although agents often achieve a good statistical fit, they frequently fail to recover correct physical system parameters, a limitation that persists even when agents are equipped with vanilla skills. Furthermore, increasing test-time compute yields only marginal gains, with excessive token usage often reflecting recursive failure loops rather than meaningful exploration. Stargazer presents an opportunity to train, evaluate, scaffold, and scale strategies on a model-fitting problem of practical research relevance today. Our methodology to design a simulation-driven environment for AI agents presumably generalizes to many other model-fitting problems across scientific domains. Source code and the project website are available at https://github.com/Gudmorning2025/Stargazer and https://gudmorning2025.github.io/Stargazer, respectively.

We consider the problem of estimating how well a model class is capable of fitting a distribution of labeled data. We show that it is often possible to accurately estimate this "learnability" even when given an amount of data that is too small to reliably learn any accurate model. Our first result applies to the setting where the data is drawn from a d-dimensional distribution with isotropic covariance (or known covariance), and the label of each datapoint is an arbitrary noisy function of the datapoint. In this setting, we show that with O(d) samples, one can accurately estimate the fraction of the variance of the label that can be explained via the best linear function of the data. In contrast to this sublinear sample size, finding an approximation of the best-fit linear function requires on the order of d samples. Our sublinear sample results and approach also extend to the non-isotropic setting, where the data distribution has an (unknown) arbitrary covariance matrix: we show that, if the label y of point x is a linear function with independent noise, y = langle x , βrangle + noise with |β| bounded, the variance of the noise can be estimated to error ε with O(d^{1-1/1/ε}) if the covariance matrix has bounded condition number, or O(d^{1-sqrtε}) if there are no bounds on the condition number. We also establish that these sample complexities are optimal, to constant factors. Finally, we extend these techniques to the setting of binary classification, where we obtain analogous sample complexities for the problem of estimating the prediction error of the best linear classifier, in a natural model of binary labeled data. We demonstrate the practical viability of our approaches on several real and synthetic datasets.

We present a deep learning approach to extract physical parameters (e.g., mobility, Schottky contact barrier height, defect profiles) of two-dimensional (2D) transistors from electrical measurements, enabling automated parameter extraction and technology computer-aided design (TCAD) fitting. To facilitate this task, we implement a simple data augmentation and pre-training approach by training a secondary neural network to approximate a physics-based device simulator. This method enables high-quality fits after training the neural network on electrical data generated from physics-based simulations of ~500 devices, a factor >40times fewer than other recent efforts. Consequently, fitting can be achieved by training on physically rigorous TCAD models, including complex geometry, self-consistent transport, and electrostatic effects, and is not limited to computationally inexpensive compact models. We apply our approach to reverse-engineer key parameters from experimental monolayer WS_2 transistors, achieving a median coefficient of determination (R^2) = 0.99 when fitting measured electrical data. We also demonstrate that this approach generalizes and scales well by reverse-engineering electrical data on high-electron-mobility transistors while fitting 35 parameters simultaneously. To facilitate future research on deep learning approaches for inverse transistor design, we have published our code and sample data sets online.

In this paper, we introduce Random Erasing, a new data augmentation method for training the convolutional neural network (CNN). In training, Random Erasing randomly selects a rectangle region in an image and erases its pixels with random values. In this process, training images with various levels of occlusion are generated, which reduces the risk of over-fitting and makes the model robust to occlusion. Random Erasing is parameter learning free, easy to implement, and can be integrated with most of the CNN-based recognition models. Albeit simple, Random Erasing is complementary to commonly used data augmentation techniques such as random cropping and flipping, and yields consistent improvement over strong baselines in image classification, object detection and person re-identification. Code is available at: https://github.com/zhunzhong07/Random-Erasing.

The Euclid satellite is an ESA mission that was launched in July 2023. \Euclid is working in its regular observing mode with the target of observing an area of 14,000~deg^2 with two instruments, the Visible Camera (VIS) and the Near IR Spectrometer and Photometer (NISP) down to I_{rm E} = 24.5~mag (10, sigma) in the Euclid Wide Survey. Ground-based imaging data in the ugriz bands complement the \Euclid data to enable photo-z determination and VIS PSF modeling for week lensing analysis. Euclid investigates the distance-redshift relation and the evolution of cosmic structures by measuring shapes and redshifts of galaxies and clusters of galaxies out to zsim 2. Generating the multi-wavelength catalogues from \Euclid and ground-based data is an essential part of the \Euclid data processing system. In the framework of the \Euclid Science Ground Segment (SGS), the aim of the MER Processing Function (PF) pipeline is to detect objects in the \Euclid imaging data, measure their properties, and MERge them into a single multi-wavelength catalogue. The MER PF pipeline performs source detection on both visible (VIS) and near-infrared (NIR) images and offers four different photometric measurements: Kron total flux, aperture photometry on PSF-matched images, template fitting photometry, and S\'ersic fitting photometry. Furthermore, the MER PF pipeline measures a set of ancillary quantities, spanning from morphology to quality flags, to better characterise all detected sources. In this paper, we show how the MER PF pipeline is designed, detailing its main steps, and we show that the pipeline products meet the tight requirements that Euclid aims to achieve on photometric accuracy. We also present the other measurements (e.g. morphology) that are included in the OU-MER output catalogues and we list all output products coming out of the MER PF pipeline.

Disc winds are critical components of accreting astrophysical systems and their observations can yield a wide variety of spectral line profiles. Yet, inferring disc wind parameters remains challenging: the underlying parameter spaces are high-dimensional and degenerate, while the radiative-transfer simulations are imperfect and computationally expensive. This paper tackles bridging this gap. Here, we present 'Speculate', an open-source framework for rapidly emulating and fitting observations with synthetic accretion disc wind spectra, generated from the Monte Carlo radiative-transfer code Sirocco. Speculate includes the release of our cataclysmic variable (CV) training data, a library of 88,680 sparsely gridded Sirocco spectra spanning the ultraviolet and optical wave bands, a suite of pre-trained emulators, and its interactive Marimo user interface. Speculate compresses spectral grids using principal component analysis and then provides three approaches to interpolate the resulting latent representation: with a regular-grid interpolation, a neural network, or a Gaussian process. All three architectures enable Speculate to generate a Sirocco spectrum between 1-40,ms, thereby enabling efficient inference. The first two support rapid χ^2 optimisation. The Gaussian process utilises a Bayesian inference engine coupled with a covariance-aware, flexible likelihood function, adapted and accelerated from the Starfish framework. This function helps absorb correlated discrepancies between simulations and data. Tests show all architectures reproduce unseen Sirocco spectra with broadly comparable accuracy and can recover their physical parameters. Subsequently, we apply Speculate to 5 representative nova-like CV spectra, reproducing several observed line features while also exposing mismatches where the current model grid omits relevant physics.

When training large flexible models, practitioners often rely on grid search to select hyperparameters that control over-fitting. This grid search has several disadvantages: the search is computationally expensive, requires carving out a validation set that reduces the available data for training, and requires users to specify candidate values. In this paper, we propose an alternative: directly learning regularization hyperparameters on the full training set via the evidence lower bound ("ELBo") objective from variational methods. For deep neural networks with millions of parameters, we recommend a modified ELBo that upweights the influence of the data likelihood relative to the prior. Our proposed technique overcomes all three disadvantages of grid search. In a case study on transfer learning of image classifiers, we show how our method reduces the 88+ hour grid search of past work to under 3 hours while delivering comparable accuracy. We further demonstrate how our approach enables efficient yet accurate approximations of Gaussian processes with learnable length-scale kernels.

In this paper, we delve into the creation of one-shot hand avatars, attaining high-fidelity and drivable hand representations swiftly from a single image. With the burgeoning domains of the digital human, the need for quick and personalized hand avatar creation has become increasingly critical. Existing techniques typically require extensive input data and may prove cumbersome or even impractical in certain scenarios. To enhance accessibility, we present a novel method OHTA (One-shot Hand avaTAr) that enables the creation of detailed hand avatars from merely one image. OHTA tackles the inherent difficulties of this data-limited problem by learning and utilizing data-driven hand priors. Specifically, we design a hand prior model initially employed for 1) learning various hand priors with available data and subsequently for 2) the inversion and fitting of the target identity with prior knowledge. OHTA demonstrates the capability to create high-fidelity hand avatars with consistent animatable quality, solely relying on a single image. Furthermore, we illustrate the versatility of OHTA through diverse applications, encompassing text-to-avatar conversion, hand editing, and identity latent space manipulation.

Neural networks trained by gradient descent (GD) have exhibited a number of surprising generalization behaviors. First, they can achieve a perfect fit to noisy training data and still generalize near-optimally, showing that overfitting can sometimes be benign. Second, they can undergo a period of classical, harmful overfitting -- achieving a perfect fit to training data with near-random performance on test data -- before transitioning ("grokking") to near-optimal generalization later in training. In this work, we show that both of these phenomena provably occur in two-layer ReLU networks trained by GD on XOR cluster data where a constant fraction of the training labels are flipped. In this setting, we show that after the first step of GD, the network achieves 100% training accuracy, perfectly fitting the noisy labels in the training data, but achieves near-random test accuracy. At a later training step, the network achieves near-optimal test accuracy while still fitting the random labels in the training data, exhibiting a "grokking" phenomenon. This provides the first theoretical result of benign overfitting in neural network classification when the data distribution is not linearly separable. Our proofs rely on analyzing the feature learning process under GD, which reveals that the network implements a non-generalizable linear classifier after one step and gradually learns generalizable features in later steps.

We present a multilinear statistical model of the human tongue that captures anatomical and tongue pose related shape variations separately. The model is derived from 3D magnetic resonance imaging data of 11 speakers sustaining speech related vocal tract configurations. The extraction is performed by using a minimally supervised method that uses as basis an image segmentation approach and a template fitting technique. Furthermore, it uses image denoising to deal with possibly corrupt data, palate surface information reconstruction to handle palatal tongue contacts, and a bootstrap strategy to refine the obtained shapes. Our evaluation concludes that limiting the degrees of freedom for the anatomical and speech related variations to 5 and 4, respectively, produces a model that can reliably register unknown data while avoiding overfitting effects. Furthermore, we show that it can be used to generate a plausible tongue animation by tracking sparse motion capture data.

Despite the significant advancements in pre-training methods for point cloud understanding, directly capturing intricate shape information from irregular point clouds without reliance on external data remains a formidable challenge. To address this problem, we propose GPSFormer, an innovative Global Perception and Local Structure Fitting-based Transformer, which learns detailed shape information from point clouds with remarkable precision. The core of GPSFormer is the Global Perception Module (GPM) and the Local Structure Fitting Convolution (LSFConv). Specifically, GPM utilizes Adaptive Deformable Graph Convolution (ADGConv) to identify short-range dependencies among similar features in the feature space and employs Multi-Head Attention (MHA) to learn long-range dependencies across all positions within the feature space, ultimately enabling flexible learning of contextual representations. Inspired by Taylor series, we design LSFConv, which learns both low-order fundamental and high-order refinement information from explicitly encoded local geometric structures. Integrating the GPM and LSFConv as fundamental components, we construct GPSFormer, a cutting-edge Transformer that effectively captures global and local structures of point clouds. Extensive experiments validate GPSFormer's effectiveness in three point cloud tasks: shape classification, part segmentation, and few-shot learning. The code of GPSFormer is available at https://github.com/changshuowang/GPSFormer.

Language model performance depends on identifying the optimal mixture of data groups to train on (e.g., law, code, math). Prior work has proposed a diverse set of methods to efficiently learn mixture proportions, ranging from fitting regression models over training runs to dynamically updating proportions throughout training. Surprisingly, we find that no existing method consistently outperforms a simple stratified sampling baseline in terms of average test perplexity. To understand this inconsistency, we unify existing methods into a standard framework, showing they are equivalent to solving a common optimization problem: minimize average loss subject to a method-specific mixing law -- an implicit assumption on the relationship between loss and mixture proportions. This framework suggests that measuring the fidelity of a method's mixing law can offer insights into its performance. Empirically, we find that existing methods set their mixing law parameters inaccurately, resulting in the inconsistent mixing performance we observe. Using this insight, we derive a new online method named Aioli, which directly estimates the mixing law parameters throughout training and uses them to dynamically adjust proportions. Aioli outperforms stratified sampling on 6 out of 6 datasets by an average of 0.27 test perplexity points, whereas existing methods fail to consistently beat stratified sampling, doing up to 6.9 points worse. Moreover, in a practical setting where proportions are learned on shorter runs due to computational constraints, Aioli can dynamically adjust these proportions over the full training run, consistently improving performance over existing methods by up to 12.012 test perplexity points.

Time-domain surveys such as the Zwicky Transient Facility (ZTF) have opened a new frontier in the discovery and characterization of transients. While photometric light curves provide broad temporal coverage, spectroscopic observations remain crucial for physical interpretation and source classification. However, existing spectral analysis methods -- often reliant on template fitting or parametric models -- are limited in their ability to capture the complex and evolving spectra characteristic of such sources, which are sometimes only available at low resolution. In this work, we introduce SpectraNet, a deep convolutional neural network designed to learn robust representations of optical spectra from transients. Our model combines multi-scale convolution kernels and multi-scale pooling to extract features from preprocessed spectra in a hierarchical and interpretable manner. We train and validate SpectraNet on low-resolution time-series spectra obtained from the Spectral Energy Distribution Machine (SEDM) and other instruments, demonstrating state-of-the-art performance in classification. Furthermore, in redshift prediction tasks, SpectraNet achieves a root mean squared relative redshift error of 0.02, highlighting its effectiveness in precise regression tasks as well.

Discovering the underlying mathematical expressions describing a dataset is a core challenge for artificial intelligence. This is the problem of symbolic regression. Despite recent advances in training neural networks to solve complex tasks, deep learning approaches to symbolic regression are underexplored. We propose a framework that leverages deep learning for symbolic regression via a simple idea: use a large model to search the space of small models. Specifically, we use a recurrent neural network to emit a distribution over tractable mathematical expressions and employ a novel risk-seeking policy gradient to train the network to generate better-fitting expressions. Our algorithm outperforms several baseline methods (including Eureqa, the gold standard for symbolic regression) in its ability to exactly recover symbolic expressions on a series of benchmark problems, both with and without added noise. More broadly, our contributions include a framework that can be applied to optimize hierarchical, variable-length objects under a black-box performance metric, with the ability to incorporate constraints in situ, and a risk-seeking policy gradient formulation that optimizes for best-case performance instead of expected performance.

Tabular machine learning typically relies on per-dataset workflows, fitting tree ensembles or running AutoML searches from scratch for every task. We present TabFM, a 400M-parameter tabular foundation model that formulates supervised tabular prediction as in-context learning. TabFM produces calibrated zero-shot predictions in a single forward pass without task-specific tuning. Trained entirely on synthetic tables generated from structural causal models, TabFM learns general tabular representations that transfer zero-shot to real-world tasks. Across all 51 benchmark datasets in TabArena (38 classification and 13 regression), zero-shot TabFM ranks first among default tabular foundation models and outperforms tuned AutoML pipelines. Two extensions over the same frozen weights improve performance further on both tracks: multi-view feature expansion with ensembling and post-hoc calibration (TabFM+), and LLM-guided, dataset-specific data processing and feature engineering (TabFM-Auto).

Deep learning has remarkably advanced in the last few years, supported by large labeled data sets. These data sets are precious yet scarce because of the time-consuming labeling procedures, discouraging researchers from producing them. This scarcity is especially true in dentistry, where deep learning applications are still in an embryonic stage. Motivated by this background, we address in this study the construction of a public data set of dental panoramic radiographs. Our objects of interest are the teeth, which are segmented and numbered, as they are the primary targets for dentists when screening a panoramic radiograph. We benefited from the human-in-the-loop (HITL) concept to expedite the labeling procedure, using predictions from deep neural networks as provisional labels, later verified by human annotators. All the gathering and labeling procedures of this novel data set is thoroughly analyzed. The results were consistent and behaved as expected: At each HITL iteration, the model predictions improved. Our results demonstrated a 51% labeling time reduction using HITL, saving us more than 390 continuous working hours. In a novel online platform, called OdontoAI, created to work as task central for this novel data set, we released 4,000 images, from which 2,000 have their labels publicly available for model fitting. The labels of the other 2,000 images are private and used for model evaluation considering instance and semantic segmentation and numbering. To the best of our knowledge, this is the largest-scale publicly available data set for panoramic radiographs, and the OdontoAI is the first platform of its kind in dentistry.

Symbolic regression (SR) is a powerful technique for discovering the underlying mathematical expressions from observed data. Inspired by the success of deep learning, recent efforts have focused on two categories for SR methods. One is using a neural network or genetic programming to search the expression tree directly. Although this has shown promising results, the large search space poses difficulties in learning constant factors and processing high-dimensional problems. Another approach is leveraging a transformer-based model training on synthetic data and offers advantages in inference speed. However, this method is limited to fixed small numbers of dimensions and may encounter inference problems when given data is out-of-distribution compared to the synthetic data. In this work, we propose DySymNet, a novel neural-guided Dynamic Symbolic Network for SR. Instead of searching for expressions within a large search space, we explore DySymNet with various structures and optimize them to identify expressions that better-fitting the data. With a topology structure like neural networks, DySymNet not only tackles the challenge of high-dimensional problems but also proves effective in optimizing constants. Based on extensive numerical experiments using low-dimensional public standard benchmarks and the well-known SRBench with more variables, our method achieves state-of-the-art performance in terms of fitting accuracy and robustness to noise.

Labeling social-media data for custom dimensions of toxicity and social bias is challenging and labor-intensive. Existing transfer and active learning approaches meant to reduce annotation effort require fine-tuning, which suffers from over-fitting to noise and can cause domain shift with small sample sizes. In this work, we propose a novel Active Transfer Few-shot Instructions (ATF) approach which requires no fine-tuning. ATF leverages the internal linguistic knowledge of pre-trained language models (PLMs) to facilitate the transfer of information from existing pre-labeled datasets (source-domain task) with minimum labeling effort on unlabeled target data (target-domain task). Our strategy can yield positive transfer achieving a mean AUC gain of 10.5% compared to no transfer with a large 22b parameter PLM. We further show that annotation of just a few target-domain samples via active learning can be beneficial for transfer, but the impact diminishes with more annotation effort (26% drop in gain between 100 and 2000 annotated examples). Finally, we find that not all transfer scenarios yield a positive gain, which seems related to the PLMs initial performance on the target-domain task.

The proliferation of generative models, combined with pretraining on web-scale data, raises a timely question: what happens when these models are trained on their own generated outputs? Recent investigations into model-data feedback loops proposed that such loops would lead to a phenomenon termed model collapse, under which performance progressively degrades with each model-data feedback iteration until fitted models become useless. However, those studies largely assumed that new data replace old data over time, where an arguably more realistic assumption is that data accumulate over time. In this paper, we ask: what effect does accumulating data have on model collapse? We empirically study this question by pretraining sequences of language models on text corpora. We confirm that replacing the original real data by each generation's synthetic data does indeed tend towards model collapse, then demonstrate that accumulating the successive generations of synthetic data alongside the original real data avoids model collapse; these results hold across a range of model sizes, architectures, and hyperparameters. We obtain similar results for deep generative models on other types of real data: diffusion models for molecule conformation generation and variational autoencoders for image generation. To understand why accumulating data can avoid model collapse, we use an analytically tractable framework introduced by prior work in which a sequence of linear models are fit to the previous models' outputs. Previous work used this framework to show that if data are replaced, the test error increases with the number of model-fitting iterations; we extend this argument to prove that if data instead accumulate, the test error has a finite upper bound independent of the number of iterations, meaning model collapse no longer occurs.

Many natural dynamic processes -- such as in vivo cellular differentiation or disease progression -- can only be observed through the lens of static sample snapshots. While challenging, reconstructing their temporal evolution to decipher underlying dynamic properties is of major interest to scientific research. Existing approaches enable data transport along a temporal axis but are poorly scalable in high dimension and require restrictive assumptions to be met. To address these issues, we propose \textbf{Multi-Marginal temporal Schr\"odinger Bridge Matching} (MMtSBM) for video generation from unpaired data, extending the theoretical guarantees and empirical efficiency of Diffusion Schr\"odinger Bridge Matching (arXiv:archive/2303.16852) by deriving the Iterative Markovian Fitting algorithm to multiple marginals in a novel factorized fashion. Experiments show that MMtSBM retains theoretical properties on toy examples, achieves state-of-the-art performance on real world datasets such as transcriptomic trajectory inference in 100 dimensions, and for the first time recovers couplings and dynamics in very high dimensional image settings. Our work establishes multi-marginal Schr\"odinger bridges as a practical and principled approach for recovering hidden dynamics from static data.

The practical utility of machine learning models in the sciences often hinges on their interpretability. It is common to assess a model's merit for scientific discovery, and thus novel insights, by how well it aligns with already available domain knowledge--a dimension that is currently largely disregarded in the comparison of neural network models. While pruning can simplify deep neural network architectures and excels in identifying sparse models, as we show in the context of gene regulatory network inference, state-of-the-art techniques struggle with biologically meaningful structure learning. To address this issue, we propose DASH, a generalizable framework that guides network pruning by using domain-specific structural information in model fitting and leads to sparser, better interpretable models that are more robust to noise. Using both synthetic data with ground truth information, as well as real-world gene expression data, we show that DASH, using knowledge about gene interaction partners within the putative regulatory network, outperforms general pruning methods by a large margin and yields deeper insights into the biological systems being studied.

While deep learning has enabled tremendous progress on text and image datasets, its superiority on tabular data is not clear. We contribute extensive benchmarks of standard and novel deep learning methods as well as tree-based models such as XGBoost and Random Forests, across a large number of datasets and hyperparameter combinations. We define a standard set of 45 datasets from varied domains with clear characteristics of tabular data and a benchmarking methodology accounting for both fitting models and finding good hyperparameters. Results show that tree-based models remain state-of-the-art on medium-sized data (sim10K samples) even without accounting for their superior speed. To understand this gap, we conduct an empirical investigation into the differing inductive biases of tree-based models and Neural Networks (NNs). This leads to a series of challenges which should guide researchers aiming to build tabular-specific NNs: 1. be robust to uninformative features, 2. preserve the orientation of the data, and 3. be able to easily learn irregular functions. To stimulate research on tabular architectures, we contribute a standard benchmark and raw data for baselines: every point of a 20 000 compute hours hyperparameter search for each learner.

Decoders for quantum error correction (QEC) experiments rely on detector error models (DEMs), which encode, for each error, its probability and the detectors and logical observables it flips. Here we show that estimating DEM event probabilities from experimental syndromes is feasible, avoids independent device benchmarking, and produces useful decoder priors for estimating and reducing decoded logical error probabilities. We evaluate our methods using open-source data from surface-code memory experiments performed on Google's Willow chip, and we carry out analogous surface-code experiments on IBM's ibm\_miami processor. Despite the different physical error scales of the Google and IBM devices, in both cases our estimated DEMs improve logical error probabilities relative to baseline device-informed DEMs, typically at the 5%-10% level and with larger gains in some IBM cases, without additional calibration circuits, decoder fine-tuning, or supervised fitting to logical outcomes.

Accurate and timely detection of plant stress is essential for yield protection, allowing better-targeted intervention strategies. Recent advances in remote sensing and deep learning have shown great potential for rapid non-invasive detection of plant stress in a fully automated and reproducible manner. However, the existing models always face several challenges: 1) computational inefficiency and the misclassifications between the different stresses with similar symptoms; and 2) the poor interpretability of the host-stress interaction. In this work, we propose a novel fast Fourier Convolutional Neural Network (FFDNN) for accurate and explainable detection of two plant stresses with similar symptoms (i.e. Wheat Yellow Rust And Nitrogen Deficiency). Specifically, unlike the existing CNN models, the main components of the proposed model include: 1) a fast Fourier convolutional block, a newly fast Fourier transformation kernel as the basic perception unit, to substitute the traditional convolutional kernel to capture both local and global responses to plant stress in various time-scale and improve computing efficiency with reduced learning parameters in Fourier domain; 2) Capsule Feature Encoder to encapsulate the extracted features into a series of vector features to represent part-to-whole relationship with the hierarchical structure of the host-stress interactions of the specific stress. In addition, in order to alleviate over-fitting, a photochemical vegetation indices-based filter is placed as pre-processing operator to remove the non-photochemical noises from the input Sentinel-2 time series.

Surface reconstruction from multi-view images is a challenging task, with solutions often requiring a large number of sampled images with high overlap. We seek to develop a method for few-view reconstruction, for the case of the human foot. To solve this task, we must extract rich geometric cues from RGB images, before carefully fusing them into a final 3D object. Our FOUND approach tackles this, with 4 main contributions: (i) SynFoot, a synthetic dataset of 50,000 photorealistic foot images, paired with ground truth surface normals and keypoints; (ii) an uncertainty-aware surface normal predictor trained on our synthetic dataset; (iii) an optimization scheme for fitting a generative foot model to a series of images; and (iv) a benchmark dataset of calibrated images and high resolution ground truth geometry. We show that our normal predictor outperforms all off-the-shelf equivalents significantly on real images, and our optimization scheme outperforms state-of-the-art photogrammetry pipelines, especially for a few-view setting. We release our synthetic dataset and baseline 3D scans to the research community.

Cassiopeia A (Cas A) is the youngest known core-collapse supernova remnant (SNR) in the Galaxy and is perhaps the best-studied SNR in X-rays. Cas A has a line-rich spectrum dominated by thermal emission and given its high flux, it is an appealing target for high-resolution X-ray spectroscopy. Cas A was observed at two different locations during the Performance Verification phase of the XRISM mission, one location in the southeastern part (SE) of the remnant and one in the northwestern part (NW). This paper serves as an overview of these observations and discusses some of the issues relevant for the analysis of the data. We present maps of the so-called ``spatial-spectral mixing'' effect due to the fact that the XRISM point-spread function is larger than a pixel in the Resolve calorimeter array. We analyze spectra from two bright, on-axis regions such that the effects of spatial-spectral mixing are minimized. We find that it is critical to include redshifts/blueshifts and broadening of the emission lines in the two thermal components to achieve a reasonable fit given the high spectral resolution of the Resolve calorimeter. We fit the spectra with two versions of the AtomDB atomic database (3.0.9 and 3.1.0) and two versions of the SPEX (3.08.00 and 3.08.01*) spectral fitting software. Overall we find good agreement between AtomDB 3.1.0 and SPEX 3.08.01* for the spectral models considered in this paper. The most significant difference we found between AtomDB 3.0.9 and 3.1.0 and between AtomDB 3.1.0 and SPEX 3.08.01* is the Ni abundance, with the new atomic data favoring a considerably lower (up to a factor of 3) Ni abundance. Both regions exhibit significantly enhanced abundances compared to Solar values indicating that supernova ejecta dominate the emission in these regions. We find that the abundance ratios of Ti/Fe, Mn/Fe, \& Ni/Fe are significantly lower in the NW than the SE.

We identify the task of measuring data to quantitatively characterize the composition of machine learning data and datasets. Similar to an object's height, width, and volume, data measurements quantify different attributes of data along common dimensions that support comparison. Several lines of research have proposed what we refer to as measurements, with differing terminology; we bring some of this work together, particularly in fields of computer vision and language, and build from it to motivate measuring data as a critical component of responsible AI development. Measuring data aids in systematically building and analyzing machine learning (ML) data towards specific goals and gaining better control of what modern ML systems will learn. We conclude with a discussion of the many avenues of future work, the limitations of data measurements, and how to leverage these measurement approaches in research and practice.

Traditionally, data selection has been studied in settings where all samples from prospective sources are fully revealed to a machine learning developer. However, in practical data exchange scenarios, data providers often reveal only a limited subset of samples before an acquisition decision is made. Recently, there have been efforts to fit scaling laws that predict model performance at any size and data source composition using the limited available samples. However, these scaling functions are black-box, computationally expensive to fit, highly susceptible to overfitting, or/and difficult to optimize for data selection. This paper proposes a framework called <projektor>, which predicts model performance and supports data selection decisions based on partial samples of prospective data sources. Our approach distinguishes itself from existing work by introducing a novel *two-stage* performance inference process. In the first stage, we leverage the Optimal Transport distance to predict the model's performance for any data mixture ratio within the range of disclosed data sizes. In the second stage, we extrapolate the performance to larger undisclosed data sizes based on a novel parameter-free mapping technique inspired by neural scaling laws. We further derive an efficient gradient-based method to select data sources based on the projected model performance. Evaluation over a diverse range of applications demonstrates that <projektor> significantly improves existing performance scaling approaches in terms of both the accuracy of performance inference and the computation costs associated with constructing the performance predictor. Also, <projektor> outperforms by a wide margin in data selection effectiveness compared to a range of other off-the-shelf solutions.

Missing values, irregularly collected samples, and multi-resolution signals commonly occur in multivariate time series data, making predictive tasks difficult. These challenges are especially prevalent in the healthcare domain, where patients' vital signs and electronic records are collected at different frequencies and have occasionally missing information due to the imperfections in equipment or patient circumstances. Researchers have handled each of these issues differently, often handling missing data through mean value imputation and then using sequence models over the multivariate signals while ignoring the different resolution of signals. We propose a unified model named Multi-resolution Flexible Irregular Time series Network (Multi-FIT). The building block for Multi-FIT is the FIT network. The FIT network creates an informative dense representation at each time step using signal information such as last observed value, time difference since the last observed time stamp and overall mean for the signal. Vertical FIT (FIT-V) is a variant of FIT which also models the relationship between different temporal signals while creating the informative dense representations for the signal. The multi-FIT model uses multiple FIT networks for sets of signals with different resolutions, further facilitating the construction of flexible representations. Our model has three main contributions: a.) it does not impute values but rather creates informative representations to provide flexibility to the model for creating task-specific representations b.) it models the relationship between different signals in the form of support signals c.) it models different resolutions in parallel before merging them for the final prediction task. The FIT, FIT-V and Multi-FIT networks improve upon the state-of-the-art models for three predictive tasks, including the forecasting of patient survival.

When fitting the learning data of an individual to algorithm-like learning models, the observations are so dependent and non-stationary that one may wonder what the classical Maximum Likelihood Estimator (MLE) could do, even if it is the usual tool applied to experimental cognition. Our objective in this work is to show that the estimation of the learning rate cannot be efficient if the learning rate is constant in the classical Exp3 (Exponential weights for Exploration and Exploitation) algorithm. Secondly, we show that if the learning rate decreases polynomially with the sample size, then the prediction error and in some cases the estimation error of the MLE satisfy bounds in probability that decrease at a polynomial rate.

We investigate data filtering for large model pretraining via new scaling studies that target the high compute, data-scarce regime. In spite of an apparently common belief that filtering data to include only high-quality information is essential, our experiments suggest that with enough compute, the best data filter is no data filter. We find that sufficiently trained large parameter models not only tolerate low-quality and distractor data, but in fact benefit from nominally ``poor'' data.

Fitting quantitative models to data is a central step in scientific workflows, yet it remains one of the least automated. Recent agent-based systems leverage language and vision-language models (VLMs) to iteratively propose and refine statistical models, but these systems struggle on more challenging modeling tasks. To address these limitations, we introduce VESTA: Visual Exploration with Statistical Tool Agents, a framework that equips VLMs with a dynamically growing exploration toolkit to guide model refinement through data transformations, hypothesis-driven visualizations, and robust statistical tests. Unlike prior systems that rely on iterative critique alone, VESTA actively explores data before and during refinement by selecting or creating diagnostic tools, which accumulate in the model's context and can be reused later. We evaluate VESTA against established baselines in three toolkit configurations: no tools, static expert-written tools, and dynamic model-written tools. To support this evaluation, we introduce DAWN (Dataset for Automated Workflows and Numerical Modeling), a benchmark targeting distribution fitting and time series modeling with varying difficulty tiers, and culminating in real-world astronomy tasks including modeling initial mass functions and gravitational-wave chirp signals. We find that VESTA's dynamic tool creation outperforms prior agentic pipelines, with the largest gains on complex and domain-specific tasks. We further show that dynamically generated tools are substantially more sophisticated than those produced by existing visual tool-creation systems, covering more diagnostic categories per function and strongly preferring visual outputs that the VLM critic can reason over directly.

This work investigates the use of smooth neural networks for modeling dynamic variations of implicit surfaces under the level set equation (LSE). For this, it extends the representation of neural implicit surfaces to the space-time R^3times R, which opens up mechanisms for continuous geometric transformations. Examples include evolving an initial surface towards general vector fields, smoothing and sharpening using the mean curvature equation, and interpolations of initial conditions. The network training considers two constraints. A data term is responsible for fitting the initial condition to the corresponding time instant, usually R^3 times {0}. Then, a LSE term forces the network to approximate the underlying geometric evolution given by the LSE, without any supervision. The network can also be initialized based on previously trained initial conditions, resulting in faster convergence compared to the standard approach.

Despite the rapid advancements in Artificial Intelligence (AI), Stochastic Differential Equations (SDEs) remain the gold-standard formalism for modeling systems under uncertainty. However, applying SDEs in practice is fraught with challenges: modeling risk is high, calibration is often brittle, and high-fidelity simulations are computationally expensive. This technical report introduces JointFM, a foundation model that inverts this paradigm. Instead of fitting SDEs to data, we sample an infinite stream of synthetic SDEs to train a generic model to predict future joint probability distributions directly. This approach establishes JointFM as the first foundation model for distributional predictions of coupled time series - requiring no task-specific calibration or finetuning. Despite operating in a purely zero-shot setting, JointFM reduces the energy loss by 14.2% relative to the strongest baseline when recovering oracle joint distributions generated by unseen synthetic SDEs.

Scientific discovery is a closed-loop process in which hypotheses guide data acquisition and observations refine the hypothesis space. Yet most approaches reduce discovery to supervised learning over fixed datasets, where limited observations can support multiple plausible mechanisms that fit locally but fail to generalize. Thus, the key challenge is selecting informative observations to resolve uncertainty, shifting the focus from static inference to adaptive data acquisition. To address this, we propose LLM-AutoSciLab, a closed-loop framework that couples hypothesis generation with hypothesis-conditioned experiment selection and mechanism refinement. Rather than fitting models to passively collected data, LLM-AutoSciLab iteratively proposes plausible hypotheses, selects informative experiments to distinguish or refine them, and updates its state using the resulting evidence. To evaluate dynamic, closed-loop scientific discovery with active data acquisition, we introduce ActiveSciBench, comprising two datasets: ActiveSciBench-Chem with 57 enzyme-kinetics tasks and ActiveSciBench-GRN with 45 gene-regulatory-network tasks. These datasets model discovery as a budget-constrained process requiring adaptive experiment design, variable selection, and recovery of true mechanisms. Across NewtonBench, ActiveSciBench-Chem, and ActiveSciBench-GRN, LLM-AutoSciLab outperforms prior methods, achieving 67.6% and 35.1% symbolic accuracy on NewtonBench and ActiveSciBench-Chem, respectively, and 31.1% exact graph recovery on ActiveSciBench-GRN. Moreover, hypothesis-guided experimentation is 2-5x more sample-efficient than the strongest competing baselines. Code and data are available at: https://github.com/scientific-discovery/LLM-AutoSciLab

The largest machine learning models in particle physics are also the most expensive to train, yet the return on scaling a given architecture cannot be estimated before that compute is spent. Scaling laws have been fit for jets, but none has yet been shown to predict the performance of models it was not fit on. We show that, for a generic transformer pretrained on collider jets, it can be forecast. Fitting a joint model-and-data scaling law on small models alone, spanning three orders of magnitude of training compute, we predict the loss of models trained afterward with more than one hundred times more compute to within one percent. We then connect the forecast to downstream physics performance: across two standard tagging benchmarks, lower pretraining loss yields systematically lower fine-tuning loss and higher background rejection after fine-tuning. Within this model family and these tasks, a compute budget can therefore be translated into expected physics performance before any large model is trained. The final frontier model is consistent with the published numbers for current state-of-the-art physics-aware foundation models trained on the same corpus, on accuracy, AUC, and quark/gluon rejection, with a residual edge for the physics-aware model only in the high-purity tail of top tagging. We release five pretrained models spanning multiple sizes, together with the complete training recipe and code.

Knowledge distillation is classically a procedure where a neural network is trained on the output of another network along with the original targets in order to transfer knowledge between the architectures. The special case of self-distillation, where the network architectures are identical, has been observed to improve generalization accuracy. In this paper, we consider an iterative variant of self-distillation in a kernel regression setting, in which successive steps incorporate both model outputs and the ground-truth targets. This allows us to provide the first theoretical results on the importance of using the weighted ground-truth targets in self-distillation. Our focus is on fitting nonlinear functions to training data with a weighted mean square error objective function suitable for distillation, subject to ell_2 regularization of the model parameters. We show that any such function obtained with self-distillation can be calculated directly as a function of the initial fit, and that infinite distillation steps yields the same optimization problem as the original with amplified regularization. Furthermore, we provide a closed form solution for the optimal choice of weighting parameter at each step, and show how to efficiently estimate this weighting parameter for deep learning and significantly reduce the computational requirements compared to a grid search.

Despite the growing demand for tuning foundation vision transformers (FViTs) on downstream tasks, fully unleashing FViTs' potential under data-limited scenarios (e.g., few-shot tuning) remains a challenge due to FViTs' data-hungry nature. Common data augmentation techniques fall short in this context due to the limited features contained in the few-shot tuning data. To tackle this challenge, we first identify an opportunity for FViTs in few-shot tuning: pretrained FViTs themselves have already learned highly representative features from large-scale pretraining data, which are fully preserved during widely used parameter-efficient tuning. We thus hypothesize that leveraging those learned features to augment the tuning data can boost the effectiveness of few-shot FViT tuning. To this end, we propose a framework called Hint-based Data Augmentation (Hint-Aug), which aims to boost FViT in few-shot tuning by augmenting the over-fitted parts of tuning samples with the learned features of pretrained FViTs. Specifically, Hint-Aug integrates two key enablers: (1) an Attentive Over-fitting Detector (AOD) to detect over-confident patches of foundation ViTs for potentially alleviating their over-fitting on the few-shot tuning data and (2) a Confusion-based Feature Infusion (CFI) module to infuse easy-to-confuse features from the pretrained FViTs with the over-confident patches detected by the above AOD in order to enhance the feature diversity during tuning. Extensive experiments and ablation studies on five datasets and three parameter-efficient tuning techniques consistently validate Hint-Aug's effectiveness: 0.04% ~ 32.91% higher accuracy over the state-of-the-art (SOTA) data augmentation method under various low-shot settings. For example, on the Pet dataset, Hint-Aug achieves a 2.22% higher accuracy with 50% less training data over SOTA data augmentation methods.

One-class learning is the classic problem of fitting a model to data for which annotations are available only for a single class. In this paper, we propose a novel objective for one-class learning. Our key idea is to use a pair of orthonormal frames -- as subspaces -- to "sandwich" the labeled data via optimizing for two objectives jointly: i) minimize the distance between the origins of the two subspaces, and ii) to maximize the margin between the hyperplanes and the data, either subspace demanding the data to be in its positive and negative orthant respectively. Our proposed objective however leads to a non-convex optimization problem, to which we resort to Riemannian optimization schemes and derive an efficient conjugate gradient scheme on the Stiefel manifold. To study the effectiveness of our scheme, we propose a new dataset~Dash-Cam-Pose, consisting of clips with skeleton poses of humans seated in a car, the task being to classify the clips as normal or abnormal; the latter is when any human pose is out-of-position with regard to say an airbag deployment. Our experiments on the proposed Dash-Cam-Pose dataset, as well as several other standard anomaly/novelty detection benchmarks demonstrate the benefits of our scheme, achieving state-of-the-art one-class accuracy.

We present a comprehensive X-ray analysis and spectral energy distribution (SED) fitting of WISEA J171419.96+602724.6, an extremely luminous type 2 quasar at z = 2.99. The source was suggested as a candidate Compton-thick (column density N_{rm H}>1.5 times 10^{24} cm^{-2}) quasar by a short XMM-Newton observation in 2011. We recently observed the source with deep NuSTAR and XMM-Newton exposures in 2021 and found that the source has a lower obscuration of N_{rm H}sim5 times 10^{22} cm^{-2} with an about four times lower flux. The two epochs of observations suggested that the source was significantly variable in X-ray obscuration, flux, and intrinsic luminosity at 2-3~sigma in less than 2.5 years (in the source rest frame). We performed SED fitting of this source using CIGALE thanks to its great availability of multiwavelength data (from hard X-rays to radio). The source is very luminous with a bolometric luminosity of L_{rm BOL}sim 2.5 times 10^{47} erg s^{-1}. Its host galaxy has a huge star formation rate (SFR) of sim1280 Solar mass yr^{-1} and a huge stellar mass of sim1.1 times 10^{12} Solar mass. The correlation between the SFR and stellar mass of this source is consistent with what was measured in the high-z quasars. It is also consistent with what was measured in the main-sequence star-forming galaxies, suggesting that the presence of the active nucleus in our target does not enhance or suppress the SFR of its host galaxy. The source is an Infrared hyper-luminous, obscured galaxy with significant amount of hot dust in its torus and shares many similar properties with hot, dust obscured galaxies.

Automated red blood cell (RBC) classification on blood smear images helps hematologists to analyze RBC lab results in a reduced time and cost. However, overlapping cells can cause incorrect predicted results, and so they have to be separated into multiple single RBCs before classifying. To classify multiple classes with deep learning, imbalance problems are common in medical imaging because normal samples are always higher than rare disease samples. This paper presents a new method to segment and classify RBCs from blood smear images, specifically to tackle cell overlapping and data imbalance problems. Focusing on overlapping cell separation, our segmentation process first estimates ellipses to represent RBCs. The method detects the concave points and then finds the ellipses using directed ellipse fitting. The accuracy from 20 blood smear images was 0.889. Classification requires balanced training datasets. However, some RBC types are rare. The imbalance ratio of this dataset was 34.538 for 12 RBC classes from 20,875 individual RBC samples. The use of machine learning for RBC classification with an imbalanced dataset is hence more challenging than many other applications. We analyzed techniques to deal with this problem. The best accuracy and F1-score were 0.921 and 0.8679, respectively, using EfficientNet-B1 with augmentation. Experimental results showed that the weight balancing technique with augmentation had the potential to deal with imbalance problems by improving the F1-score on minority classes, while data augmentation significantly improved the overall classification performance.

Macroscopic EEG fields can be an explicit top-down neocortical mechanism that directly drives bottom-up processes that describe memory, attention, and other neuronal processes. The top-down mechanism considered are macrocolumnar EEG firings in neocortex, as described by a statistical mechanics of neocortical interactions (SMNI), developed as a magnetic vector potential A. The bottom-up process considered are Ca^{2+} waves prominent in synaptic and extracellular processes that are considered to greatly influence neuronal firings. Here, the complimentary effects are considered, i.e., the influence of A on Ca^{2+} momentum, p. The canonical momentum of a charged particle in an electromagnetic field, mathbfΠ = p + q A (SI units), is calculated, where the charge of Ca^{2+} is q = - 2 e, e is the magnitude of the charge of an electron. Calculations demonstrate that macroscopic EEG A can be quite influential on the momentum p of Ca^{2+} ions, in both classical and quantum mechanics. Molecular scales of Ca^{2+} wave dynamics are coupled with A fields developed at macroscopic regional scales measured by coherent neuronal firing activity measured by scalp EEG. The project has three main aspects: fitting A models to EEG data as reported here, building tripartite models to develop A models, and studying long coherence times of Ca^{2+} waves in the presence of A due to coherent neuronal firings measured by scalp EEG. The SMNI model supports a mechanism wherein the p + q A interaction at tripartite synapses, via a dynamic centering mechanism (DCM) to control background synaptic activity, acts to maintain short-term memory (STM) during states of selective attention.

Domain adaptation is to transfer the shared knowledge learned from the source domain to a new environment, i.e., target domain. One common practice is to train the model on both labeled source-domain data and unlabeled target-domain data. Yet the learned models are usually biased due to the strong supervision of the source domain. Most researchers adopt the early-stopping strategy to prevent over-fitting, but when to stop training remains a challenging problem since the lack of the target-domain validation set. In this paper, we propose one efficient bootstrapping method, called Adaboost Student, explicitly learning complementary models during training and liberating users from empirical early stopping. Adaboost Student combines the deep model learning with the conventional training strategy, i.e., adaptive boosting, and enables interactions between learned models and the data sampler. We adopt one adaptive data sampler to progressively facilitate learning on hard samples and aggregate "weak" models to prevent over-fitting. Extensive experiments show that (1) Without the need to worry about the stopping time, AdaBoost Student provides one robust solution by efficient complementary model learning during training. (2) AdaBoost Student is orthogonal to most domain adaptation methods, which can be combined with existing approaches to further improve the state-of-the-art performance. We have achieved competitive results on three widely-used scene segmentation domain adaptation benchmarks.

Image ranking is to rank images based on some known ranked images. In this paper, we propose an improved linear ordinal distance metric learning approach based on the linear distance metric learning model. By decomposing the distance metric A as L^TL, the problem can be cast as looking for a linear map between two sets of points in different spaces, meanwhile maintaining some data structures. The ordinal relation of the labels can be maintained via classical multidimensional scaling, a popular tool for dimension reduction in statistics. A least squares fitting term is then introduced to the cost function, which can also maintain the local data structure. The resulting model is an unconstrained problem, and can better fit the data structure. Extensive numerical results demonstrate the improvement of the new approach over the linear distance metric learning model both in speed and ranking performance.

Tuning the regularization parameter in penalized regression models is an expensive task, requiring multiple models to be fit along a path of parameters. Strong screening rules drastically reduce computational costs by lowering the dimensionality of the input prior to fitting. We develop strong screening rules for group-based Sorted L-One Penalized Estimation (SLOPE) models: Group SLOPE and Sparse-group SLOPE. The developed rules are applicable to the wider family of group-based OWL models, including OSCAR. Our experiments on both synthetic and real data show that the screening rules significantly accelerate the fitting process. The screening rules make it accessible for group SLOPE and sparse-group SLOPE to be applied to high-dimensional datasets, particularly those encountered in genetics.

We present IF-D, a large-scale inertial dataset designed to enable self-supervised and foundational learning for IMU time series. IF-D comprises continuous, long-duration multichannel recordings (accelerometer, gyroscope, magnetometer) sampled at 200Hz using a UM7 IMU mounted inside a 3D-printed spherical enclosure that promotes diverse, free rotations during vehicle traversal. The collection spans approximately 135 minutes of recording, yielding around 1.6 million samples across nine sensor channels. We describe the data acquisition setup, preprocessing, and calibration procedures (six-orientation accelerometer calibration, stationary gyroscope bias estimation, and ellipsoid fitting for magnetometer hard-/soft-iron correction), and provide quantitative calibration results. IF-D is designed to mitigate platform specific motion bias and expose models to both physical dynamics and typical measurement noise, thereby facilitating robust representation learning and downstream tasks such as event detection, motion mode recognition, and inertial navigation.

Diffusion models typically suffer from error accumulation during iterative sampling, commonly referred to as exposure bias. We reveal systematic frequency-dependent discrepancies between training and inference, which can be interpreted as frequency-dependent SNR error. Crucially, the direction of this mismatch varies across models and timesteps, indicating that fixed correction rules do not generalize. We propose Spectral Alignment (SPA), a lightweight, guidance-based method that calibrates the power spectrum of intermediate predictions to a pre-computed prior. Our approach consists of two stages: (1) offline fitting of a parametric spectrum model from training data, and (2) inference-time guidance via efficient FFT-based gradient computation. SPA introduces minimal computational overhead (3-4\%) and is complementary to Classifier-Free Guidance (CFG). We demonstrate consistent improvements across diverse architectures, from pixel-space models (DDPM, ADM) to latent diffusion models (SD2.0, SDXL) and flow-matching models (SD3.5, FLUX). Our implementation is available at https://github.com/SonyResearch/SPA.

Parametric models of the human head are essential tools traditionally used in computer vision and graphics for animation, rendering, and reconstruction. More recently, they serve as crucial conditioning signals within generative large vision models, allowing for tight spatial control of generated imagery. However, existing publicly available models are typically limited in anatomical scope, modeling only outer geometry while ignoring intra-oral and ocular structures, and frequently suffer from reduced geometric quality stemming from low-fidelity input datasets. In this report we introduce a new parametric model dubbed Generative aNthropometric Model (GNM), named as a homophone of the human genome. GNM encompasses the head, face, neck, eyeballs, teeth, and tongue, and it is built on an extensive database of high-resolution 3D scans combined with high-quality anatomy specific artist-made samples. This report details the data provenance, the model architecture including the specialized sub-models for the ocular and intra-oral structures, and shows its SotA performance on fitting target 3D face scans. To foster community innovation, the complete GNM framework is made publicly available.

It is widely believed that a neural network can fit a training set containing at least as many samples as it has parameters, underpinning notions of overparameterized and underparameterized models. In practice, however, we only find solutions accessible via our training procedure, including the optimizer and regularizers, limiting flexibility. Moreover, the exact parameterization of the function class, built into an architecture, shapes its loss surface and impacts the minima we find. In this work, we examine the ability of neural networks to fit data in practice. Our findings indicate that: (1) standard optimizers find minima where the model can only fit training sets with significantly fewer samples than it has parameters; (2) convolutional networks are more parameter-efficient than MLPs and ViTs, even on randomly labeled data; (3) while stochastic training is thought to have a regularizing effect, SGD actually finds minima that fit more training data than full-batch gradient descent; (4) the difference in capacity to fit correctly labeled and incorrectly labeled samples can be predictive of generalization; (5) ReLU activation functions result in finding minima that fit more data despite being designed to avoid vanishing and exploding gradients in deep architectures.

The capabilities of natural language models trained on large-scale data have increased immensely over the past few years. Open source libraries such as HuggingFace have made these models easily available and accessible. While prior research has identified biases in large language models, this paper considers biases contained in the most popular versions of these models when applied `out-of-the-box' for downstream tasks. We focus on generative language models as they are well-suited for extracting biases inherited from training data. Specifically, we conduct an in-depth analysis of GPT-2, which is the most downloaded text generation model on HuggingFace, with over half a million downloads per month. We assess biases related to occupational associations for different protected categories by intersecting gender with religion, sexuality, ethnicity, political affiliation, and continental name origin. Using a template-based data collection pipeline, we collect 396K sentence completions made by GPT-2 and find: (i) The machine-predicted jobs are less diverse and more stereotypical for women than for men, especially for intersections; (ii) Intersectional interactions are highly relevant for occupational associations, which we quantify by fitting 262 logistic models; (iii) For most occupations, GPT-2 reflects the skewed gender and ethnicity distribution found in US Labor Bureau data, and even pulls the societally-skewed distribution towards gender parity in cases where its predictions deviate from real labor market observations. This raises the normative question of what language models should learn - whether they should reflect or correct for existing inequalities.

Hidden Markov Models (HMMs) are foundational tools for modeling sequential data with latent Markovian structure, yet fitting them to real-world data remains computationally challenging. In this work, we show that pre-trained large language models (LLMs) can effectively model data generated by HMMs via in-context learning (ICL)x2013their ability to infer patterns from examples within a prompt. On a diverse set of synthetic HMMs, LLMs achieve predictive accuracy approaching the theoretical optimum. We uncover novel scaling trends influenced by HMM properties, and offer theoretical conjectures for these empirical observations. We also provide practical guidelines for scientists on using ICL as a diagnostic tool for complex data. On real-world animal decision-making tasks, ICL achieves competitive performance with models designed by human experts. To our knowledge, this is the first demonstration that ICL can learn and predict HMM-generated sequencesx2013an advance that deepens our understanding of in-context learning in LLMs and establishes its potential as a powerful tool for uncovering hidden structure in complex scientific data.

Audio classification plays a crucial role in speech and sound processing tasks with a wide range of applications. There still remains a challenge of striking the right balance between fitting the model to the training data (avoiding overfitting) and enabling it to generalise well to a new domain. Leveraging the transferability of contrastive learning, we introduce Audio Contrastive-based Fine-tuning (AudioConFit), an efficient approach characterised by robust generalisability. Empirical experiments on a variety of audio classification tasks demonstrate the effectiveness and robustness of our approach, which achieves state-of-the-art results in various settings.

Across the Galactic disk lies a diverse population of X-ray sources, with the fainter end remaining poorly understood due to past survey sensitivity limits. We aim to classify and characterize faint X-ray sources detected in the eROSITA All-Sky Survey (eRASS1) towards the inner Galactic disk (350^circ < l < 360^circ, -1^circ < b < 1^circ) using deeper XMM-Newton observations (typical exposure of sim 20,ks). We analyzed 189 eRASS1 sources, combining X-ray spectral fitting (0.2--10,keV) with Gaia astrometric and photometric data for robust classification. Our results show that the eRASS1 catalog towards the Galactic disk is overwhelmingly dominated by coronal sources (sim 74%), primarily active stars and binaries, with sim 8% being wind-powered massive stars and sim 18% being accreting compact objects. We propose an empirical hardness-ratio cut (HR > -0.2) to efficiently isolate these non-coronal sources. By stacking the classified population and comparing with the Galactic Ridge X-ray Emission (GRXE), we estimate that sim 6% of the GRXE flux in the 0.5--2.0,keV band is resolved into point sources above the eRASS1 flux limit (sim 5times 10^{-14},erg,cm^{-2},s^{-1}). This resolved soft-band emission is dominated by active stars, while hard-band flux originates primarily from X-ray binaries. We conclude that the eRASS1 catalog retains a non-negligible population of compact objects that can be effectively distinguished using X-ray color selection.

Reconstructing 3D clothed humans from monocular images and videos is a fundamental problem with applications in virtual try-on, avatar creation, and mixed reality. Despite significant progress in human body recovery, accurately reconstructing garment geometry, particularly for loose-fitting clothing, remains an open challenge. We propose a unified framework for high-fidelity 3D garment reconstruction from both single images and video sequences. Our approach combines Implicit Sewing Patterns (ISP) with a generative diffusion model to learn expressive garment shape priors in 2D UV space. Leveraging these priors, we introduce a mapping model that establishes correspondences between image pixels, UV pattern coordinates, and 3D geometry, enabling accurate and detailed garment reconstruction from single images. We further extend this formulation to dynamic reconstruction by introducing a spatio-temporal diffusion scheme with test-time guidance to enforce long-range temporal consistency. We also develop analytic projection-based constraints that preserve image-aligned geometry in visible regions while enforcing coherent completion in occluded areas over time. Although trained exclusively on synthetically simulated cloth data, our method generalizes well to real-world imagery and consistently outperforms existing approaches on both tight- and loose-fitting garments. The reconstructed garments preserve fine geometric detail while exhibiting realistic dynamic motion, supporting downstream applications such as texture editing, garment retargeting, and animation.

In this article, we analyze how changing the underlying 3D shape of the base identity in face images can distort their overall appearance, especially from the perspective of deep face recognition. As done in popular training data augmentation schemes, we graphically render real and synthetic face images with randomly chosen or best-fitting 3D face models to generate novel views of the base identity. We compare deep features generated from these images to assess the perturbation these renderings introduce into the original identity. We perform this analysis at various degrees of facial yaw with the base identities varying in gender and ethnicity. Additionally, we investigate if adding some form of context and background pixels in these rendered images, when used as training data, further improves the downstream performance of a face recognition model. Our experiments demonstrate the significance of facial shape in accurate face matching and underpin the importance of contextual data for network training.

Breakthroughs in machine learning are rapidly changing science and society, yet our fundamental understanding of this technology has lagged far behind. Indeed, one of the central tenets of the field, the bias-variance trade-off, appears to be at odds with the observed behavior of methods used in the modern machine learning practice. The bias-variance trade-off implies that a model should balance under-fitting and over-fitting: rich enough to express underlying structure in data, simple enough to avoid fitting spurious patterns. However, in the modern practice, very rich models such as neural networks are trained to exactly fit (i.e., interpolate) the data. Classically, such models would be considered over-fit, and yet they often obtain high accuracy on test data. This apparent contradiction has raised questions about the mathematical foundations of machine learning and their relevance to practitioners. In this paper, we reconcile the classical understanding and the modern practice within a unified performance curve. This "double descent" curve subsumes the textbook U-shaped bias-variance trade-off curve by showing how increasing model capacity beyond the point of interpolation results in improved performance. We provide evidence for the existence and ubiquity of double descent for a wide spectrum of models and datasets, and we posit a mechanism for its emergence. This connection between the performance and the structure of machine learning models delineates the limits of classical analyses, and has implications for both the theory and practice of machine learning.

Numerical relativity (NR) simulations provide the most faithful representation of the gravitational waves (GWs) emitted by binary black hole (BBH) systems during merger. In the context of GW astronomy, tasks such as parameter estimation can require vast numbers of waveform evaluations per second across the entire parameter space. Since performing full NR simulations for each evaluation is not computationally feasible, interpolating methods for existing NR waveforms, known as surrogate models, have been developed with marked success. In this paper, we build on our previous work to introduce methods to train a fast surrogate model based on neural networks in order to generate BBH merger waveforms, including the fundamental (2,2) mode, as well as the (3,3), (2,1), (4,4), (3,2), (4,3) and (5,5) higher-order modes. Applying a pretraining step on approximant data before fine-tuning on NR data allows us to smooth out the parameter space, and making use of the parallelization ability of GPUs to project the NR waveforms in the inclination-phase (ι, ϕ) sphere during training allows the fitting of all the explored modes simultaneously. The developed surrogate model, DANSur\_HM, achieves average mismatches of the order of 10^{-4}, with the worst mismatch at 2.5times10^{-3}, and achieves throughput above 6times10^5 waveforms/second on an NVIDIA V100 GPU. Parameter estimation tests confirm the usefulness of the inclusion of higher modes.

Neural fields are increasingly used as a light-weight, continuous, and differentiable signal representation in (bio)medical imaging. However, unlike discrete signal representations such as voxel grids, neural fields cannot be easily extended. As neural fields are, in essence, neural networks, prior signals represented in a neural field will degrade when the model is presented with new data due to catastrophic forgetting. This work examines the extent to which different neural field approaches suffer from catastrophic forgetting and proposes a strategy to mitigate this issue. We consider the scenario in which data becomes available incrementally, with only the most recent data available for neural field fitting. In a series of experiments on cardiac cine MRI data, we demonstrate how knowledge distillation mitigates catastrophic forgetting when the spatiotemporal domain is enlarged or the dimensionality of the represented signal is increased. We find that the amount of catastrophic forgetting depends, to a large extent, on the neural fields model used, and that distillation could enable continual learning in neural fields.

The development of reliable and extensible molecular mechanics (MM) force fields -- fast, empirical models characterizing the potential energy surface of molecular systems -- is indispensable for biomolecular simulation and computer-aided drug design. Here, we introduce a generalized and extensible machine-learned MM force field, espaloma-0.3, and an end-to-end differentiable framework using graph neural networks to overcome the limitations of traditional rule-based methods. Trained in a single GPU-day to fit a large and diverse quantum chemical dataset of over 1.1M energy and force calculations, espaloma-0.3 reproduces quantum chemical energetic properties of chemical domains highly relevant to drug discovery, including small molecules, peptides, and nucleic acids. Moreover, this force field maintains the quantum chemical energy-minimized geometries of small molecules and preserves the condensed phase properties of peptides, self-consistently parametrizing proteins and ligands to produce stable simulations leading to highly accurate predictions of binding free energies. This methodology demonstrates significant promise as a path forward for systematically building more accurate force fields that are easily extensible to new chemical domains of interest.

The Schr\"odinger Bridge (SB) is a powerful framework for solving generative modeling tasks such as unpaired domain translation. Most SB-related research focuses on continuous data space R^{D} and leaves open theoretical and algorithmic questions about applying SB methods to discrete data, e.g, on finite spaces S^{D}. Notable examples of such sets S are codebooks of vector-quantized (VQ) representations of modern autoencoders, tokens in texts, categories of atoms in molecules, etc. In this paper, we provide a theoretical and algorithmic foundation for solving SB in discrete spaces using the recently introduced Iterative Markovian Fitting (IMF) procedure. Specifically, we theoretically justify the convergence of discrete-time IMF (D-IMF) to SB in discrete spaces. This enables us to develop a practical computational algorithm for SB which we call Categorical Schr\"odinger Bridge Matching (CSBM). We show the performance of CSBM via a series of experiments with synthetic data and VQ representations of images.

The analysis of non-stationary time-series data requires insight into its local and global patterns with physical interpretability. However, traditional smoothing algorithms, such as B-splines, Savitzky-Golay filtering, and Empirical Mode Decomposition (EMD), lack the ability to perform parametric optimization with guaranteed continuity. In this paper, we propose Functional Continuous Decomposition (FCD), a JAX-accelerated framework that performs parametric, continuous optimization on a wide range of mathematical functions. By using Levenberg-Marquardt optimization to achieve up to C^1 continuous fitting, FCD transforms raw time-series data into M modes that capture different temporal patterns from short-term to long-term trends. Applications of FCD include physics, medicine, financial analysis, and machine learning, where it is commonly used for the analysis of signal temporal patterns, optimized parameters, derivatives, and integrals of decomposition. Furthermore, FCD can be applied for physical analysis and feature extraction with an average SRMSE of 0.735 per segment and a speed of 0.47s on full decomposition of 1,000 points. Finally, we demonstrate that a Convolutional Neural Network (CNN) enhanced with FCD features, such as optimized function values, parameters, and derivatives, achieved 16.8% faster convergence and 2.5% higher accuracy over a standard CNN.

Speculative decoding accelerates large language model inference without changing the target distribution, but no single drafting structure performs best across real-world workloads. Autoregressive multi-token prediction (MTP) is a lightweight, stable proposal mechanism, whereas block-parallel diffusion amortizes drafting latency over much longer candidate sequences; the better choice depends strongly on the output distribution. We present AngelSpec, a unified training framework for MTP and block-parallel speculative decoding that addresses this heterogeneity at three levels. At the training level, rather than fitting one universal drafter to a uniform data mixture, we co-specialize structure and data: the MTP drafter is trained on diverse conversational data for high-entropy open-ended chat, and the block-diffusion drafter on code and mathematics data for longer predictable continuations. At the architecture level, we propose DFly, a block-diffusion framework combining a hybrid target-conditioning backbone with a predecessor-conditioned autoregressive head, improving target-feature utilization and intra-block dependency modeling while keeping generation parallel. At the inference level, both acceptance length and verification cost vary with domain, request, online load, and hardware, so DFly treats verification as a shared batch-level resource: it reallocates compute toward high-confidence prefixes across requests and combines expected utility with a profiled cost model to adapt verification depth online. Across the Hy3 series, DFly raises the average accepted length on Hy3-A21B by roughly 30% and attains the highest average throughput at every tested concurrency from 4 to 64, a 1.98-2.40x speedup over autoregressive decoding and 10.5-11.8% higher throughput than DFlash. We release AngelSpec to support training and extending these methods.

Encoding input coordinates with sinusoidal functions into multi-layer perceptrons (MLPs) has proven effective for implicit neural representations (INRs) of surfaces defined as zero-level sets. However, existing methods often struggle to balance training efficiency, rendering speed, and noise robustness: single-MLP approaches are expensive at inference, grid-based representations are fast but can limit surface smoothness and overfit input noise, and previous multiscale approaches frequently capture noise and produce artifacts due to hard spectral truncation. To address these limitations, we propose M-plicits, a multiscale framework that models surfaces as a residual sum of MLPs trained via a sequence of nested neighborhoods. Unlike existing residual approaches that rely on standard domain-wide sampling and require costly mesh extraction for visualization, our method strictly localizes supervision to narrow bands around the previous zero-level sets. This nested design naturally provides robustness against noisy input data: the coarse network acts as a low-pass filter that establishes a clean geometric prior, while subsequent residuals progressively refine the geometry without fitting to high-frequency artifacts. We further introduce a multiscale sphere-tracing algorithm and a GEMM-based analytical normal computation that bypasses auto-differentiation entirely, yielding high-fidelity real-time rendering. On Stanford and Thingi32, M-plicits achieves the best mean Chamfer distance in the coarse configuration and the best median Chamfer distance and IoU in the fine configuration, with substantially better noise robustness than iNGP, BACON, and IDF, while using an order of magnitude fewer parameters than grid-based baselines. Code, models, and data are available at https://github.com/dsilvavinicius/m-plicits.

The accuracy of any machine learning potential can only be as good as the data used in the fitting process. The most efficient model therefore selects the training data that will yield the highest accuracy compared to the cost of obtaining the training data. We investigate the convergence of prediction errors of quantum machine learning models for organic molecules trained on energy and force labels, two common data types in molecular simulations. When training and predicting on different geometries corresponding to the same single molecule, we find that the inclusion of atomic forces in the training data increases the accuracy of the predicted energies and forces 7-fold, compared to models trained on energy only. Surprisingly, for models trained on sets of organic molecules of varying size and composition in non-equilibrium conformations, inclusion of forces in the training does not improve the predicted energies of unseen molecules in new conformations. Predicted forces, however, also improve about 7-fold. For the systems studied, we find that force labels and energy labels contribute equally per label to the convergence of the prediction errors. Choosing to include derivatives such as atomic forces in the training set or not should thus depend on, not only on the computational cost of acquiring the force labels for training, but also on the application domain, the property of interest, and the desirable size of the machine learning model. Based on our observations we describe key considerations for the creation of datasets for potential energy surfaces of molecules which maximize the efficiency of the resulting machine learning models.

Recent developments in differentiable and neural rendering have made impressive breakthroughs in a variety of 2D and 3D tasks, e.g. novel view synthesis, 3D reconstruction. Typically, differentiable rendering relies on a dense viewpoint coverage of the scene, such that the geometry can be disambiguated from appearance observations alone. Several challenges arise when only a few input views are available, often referred to as sparse or few-shot neural rendering. As this is an underconstrained problem, most existing approaches introduce the use of regularisation, together with a diversity of learnt and hand-crafted priors. A recurring problem in sparse rendering literature is the lack of an homogeneous, up-to-date, dataset and evaluation protocol. While high-resolution datasets are standard in dense reconstruction literature, sparse rendering methods often evaluate with low-resolution images. Additionally, data splits are inconsistent across different manuscripts, and testing ground-truth images are often publicly available, which may lead to over-fitting. In this work, we propose the Sparse Rendering (SpaRe) dataset and benchmark. We introduce a new dataset that follows the setup of the DTU MVS dataset. The dataset is composed of 97 new scenes based on synthetic, high-quality assets. Each scene has up to 64 camera views and 7 lighting configurations, rendered at 1600x1200 resolution. We release a training split of 82 scenes to foster generalizable approaches, and provide an online evaluation platform for the validation and test sets, whose ground-truth images remain hidden. We propose two different sparse configurations (3 and 9 input images respectively). This provides a powerful and convenient tool for reproducible evaluation, and enable researchers easy access to a public leaderboard with the state-of-the-art performance scores. Available at: https://sparebenchmark.github.io/

We introduce Network Augmentation (NetAug), a new training method for improving the performance of tiny neural networks. Existing regularization techniques (e.g., data augmentation, dropout) have shown much success on large neural networks by adding noise to overcome over-fitting. However, we found these techniques hurt the performance of tiny neural networks. We argue that training tiny models are different from large models: rather than augmenting the data, we should augment the model, since tiny models tend to suffer from under-fitting rather than over-fitting due to limited capacity. To alleviate this issue, NetAug augments the network (reverse dropout) instead of inserting noise into the dataset or the network. It puts the tiny model into larger models and encourages it to work as a sub-model of larger models to get extra supervision, in addition to functioning as an independent model. At test time, only the tiny model is used for inference, incurring zero inference overhead. We demonstrate the effectiveness of NetAug on image classification and object detection. NetAug consistently improves the performance of tiny models, achieving up to 2.2% accuracy improvement on ImageNet. On object detection, achieving the same level of performance, NetAug requires 41% fewer MACs on Pascal VOC and 38% fewer MACs on COCO than the baseline.

Distribution Matching Distillation (DMD) trains a few-step student from the difference between separately estimated target and student scores, so it must keep an auxiliary diffusion model fitted to the student's evolving distribution at extra memory and computation cost. We introduce DMAD, Distribution Matching as Adversarial Distillation, which recasts distribution matching as classification and learns the required log-density ratios directly. Two discriminator heads on a shared backbone distinguish real data and teacher samples from the student's, and linear losses on their logits train the student without auxiliary score fitting. We prove that at the discriminator optimum these losses recover the distribution-matching gradient underlying DMD, through the classical identity linking discriminator logits to log-density ratios. We further introduce gap-based reweighting, which adapts teacher supervision across noise levels from the real-data head's empirical logit gap between real and teacher samples. DMAD reaches a Fréchet Inception Distance (FID) of 1.04 with one-step generation on ImageNet-64x64, 14.47 with four-step SDXL on COCO-10K, and a VBench total score of 85.15 with four-step Wan2.1-T2V-14B, the best values among the compared few-step methods and the multi-step teachers. On MiniMax-H3-33B, our four-step student achieves overall human preference rates of 79.1% over DMD2 and 84.6% over rCM for joint audio-video generation, excluding ties. Our code, models and demos are available at https://yzmblog.github.io/projects/DMAD.

Fine-tuning a visual pre-trained model can leverage the semantic information from large-scale pre-training data and mitigate the over-fitting problem on downstream vision tasks with limited training examples. While the problem of catastrophic forgetting in pre-trained backbone has been extensively studied for fine-tuning, its potential bias from the corresponding pre-training task and data, attracts less attention. In this work, we investigate this problem by demonstrating that the obtained classifier after fine-tuning will be close to that induced by the pre-trained model. To reduce the bias in the classifier effectively, we introduce a reference distribution obtained from a fixed text classifier, which can help regularize the learned vision classifier. The proposed method, Text Supervised fine-tuning (TeS), is evaluated with diverse pre-trained vision models including ResNet and ViT, and text encoders including BERT and CLIP, on 11 downstream tasks. The consistent improvement with a clear margin over distinct scenarios confirms the effectiveness of our proposal. Code is available at https://github.com/idstcv/TeS.