Daily Papers

Deep Learning (DL) is prevalently used in various industries to improve decision-making and automate processes, driven by the ever-evolving DL libraries and compilers. The correctness of DL systems is crucial for trust in DL applications. As such, the recent wave of research has been studying the automated synthesis of test-cases (i.e., DNN models and their inputs) for fuzzing DL systems. However, existing model generators only subsume a limited number of operators, lacking the ability to pervasively model operator constraints. To address this challenge, we propose NeuRI, a fully automated approach for generating valid and diverse DL models composed of hundreds of types of operators. NeuRI adopts a three-step process: (i) collecting valid and invalid API traces from various sources; (ii) applying inductive program synthesis over the traces to infer the constraints for constructing valid models; and (iii) using hybrid model generation which incorporates both symbolic and concrete operators. Our evaluation shows that NeuRI improves branch coverage of TensorFlow and PyTorch by 24% and 15% over the state-of-the-art model-level fuzzers. NeuRI finds 100 new bugs for PyTorch and TensorFlow in four months, with 81 already fixed or confirmed. Of these, 9 bugs are labelled as high priority or security vulnerability, constituting 10% of all high-priority bugs of the period. Open-source developers regard error-inducing tests reported by us as "high-quality" and "common in practice".

Model merging combines several independently fine-tuned experts into a single multi-task model without any training data, reducing the storage, serving, and decentralized-development costs of large foundation models. State-of-the-art merging methods formulate merging as a layer-wise quadratic interference minimization problem. Although this problem admits an exact closed-form pseudoinverse solution, that solution underperforms hundreds of iterations of gradient descent in practice. The iterative loop dominates the cost of the pipeline, yet its effectiveness has remained unexplained. We revisit this regime and show that the iterative solver does not primarily act as an optimizer; rather, it serves as an implicit spectral regularizer for an ill-posed normal equation, where small-eigenvalue directions of the per-layer interference operator amplify proxy noise. Building on this finding, we formalize multi-task model merging as a noisy linear inverse problem and propose a spectral filtering estimator parameterized by a per-direction filter. We instantiate this estimator with SWUDI, a closed-form method that combines a soft exponential filter, which matches the gradient-flow trajectory of iterative descent, with a hard top-K truncation that suppresses noise-amplifying small-eigenvalue directions. Furthermore, we propose SWUDI-A, an adaptive variant that replaces the global rank hyperparameter with per-layer rank rules, further improving robustness across architectures. Both variants share a single symmetric eigendecomposition per linear layer and require no training data or optimizer state. Across four general benchmarks and a multimodal merging benchmark spanning VQA, Geometry, Chart, OCR, Grounding, and modality merging, our proposed spectral solvers match or outperform state-of-the-art merging methods. Crucially, they reduce wall-clock time by 28-72x and peak GPU memory by up to 50%.

Combining discrete probability distributions and combinatorial optimization problems with neural network components has numerous applications but poses several challenges. We propose Implicit Maximum Likelihood Estimation (I-MLE), a framework for end-to-end learning of models combining discrete exponential family distributions and differentiable neural components. I-MLE is widely applicable as it only requires the ability to compute the most probable states and does not rely on smooth relaxations. The framework encompasses several approaches such as perturbation-based implicit differentiation and recent methods to differentiate through black-box combinatorial solvers. We introduce a novel class of noise distributions for approximating marginals via perturb-and-MAP. Moreover, we show that I-MLE simplifies to maximum likelihood estimation when used in some recently studied learning settings that involve combinatorial solvers. Experiments on several datasets suggest that I-MLE is competitive with and often outperforms existing approaches which rely on problem-specific relaxations.

Current state-of-the-art results in Music Information Retrieval are largely dominated by deep learning approaches. These provide unprecedented accuracy across all tasks. However, the consistently overlooked downside of these models is their stunningly massive complexity, which seems concomitantly crucial to their success. In this paper, we address this issue by proposing a model pruning method based on the lottery ticket hypothesis. We modify the original approach to allow for explicitly removing parameters, through structured trimming of entire units, instead of simply masking individual weights. This leads to models which are effectively lighter in terms of size, memory and number of operations. We show that our proposal can remove up to 90% of the model parameters without loss of accuracy, leading to ultra-light deep MIR models. We confirm the surprising result that, at smaller compression ratios (removing up to 85% of a network), lighter models consistently outperform their heavier counterparts. We exhibit these results on a large array of MIR tasks including audio classification, pitch recognition, chord extraction, drum transcription and onset estimation. The resulting ultra-light deep learning models for MIR can run on CPU, and can even fit on embedded devices with minimal degradation of accuracy.

Applying weight decay (WD) to matrix layers is standard practice in large-language-model pretraining. Prior work suggests that stochastic gradient noise induces a Brownian-like expansion of the weight matrices W, whose growth is counteracted by WD, leading to a WD-noise equilibrium with a certain weight norm ||W||. In this work, we view the equilibrium norm as a harmful artifact of the training procedure, and address it by introducing learnable multipliers to learn the optimal scale. First, we attach a learnable scalar multiplier to W and confirm that the WD-noise equilibrium norm is suboptimal: the learned scale adapts to data and improves performance. We then argue that individual row and column norms are similarly constrained, and free their scale by introducing learnable per-row and per-column multipliers. Our method can be viewed as a learnable, more expressive generalization of muP multipliers. It outperforms a well-tuned muP baseline, reduces the computational overhead of multiplier tuning, and surfaces practical questions such as forward-pass symmetries and the width-scaling of the learned multipliers. Finally, we validate learnable multipliers with both Adam and Muon optimizers, where it shows improvement in downstream evaluations matching the improvement of the switching from Adam to Muon.

Grokking, the sudden generalization that occurs after prolonged overfitting, is a surprising phenomenon challenging our understanding of deep learning. Although significant progress has been made in understanding grokking, the reasons behind the delayed generalization and its dependence on regularization remain unclear. In this work, we argue that without regularization, grokking tasks push models to the edge of numerical stability, introducing floating point errors in the Softmax function, which we refer to as Softmax Collapse (SC). We demonstrate that SC prevents grokking and that mitigating SC enables grokking without regularization. Investigating the root cause of SC, we find that beyond the point of overfitting, the gradients strongly align with what we call the na\"ive loss minimization (NLM) direction. This component of the gradient does not alter the model's predictions but decreases the loss by scaling the logits, typically by scaling the weights along their current direction. We show that this scaling of the logits explains the delay in generalization characteristic of grokking and eventually leads to SC, halting further learning. To validate our hypotheses, we introduce two key contributions that address the challenges in grokking tasks: StableMax, a new activation function that prevents SC and enables grokking without regularization, and perpGrad, a training algorithm that promotes quick generalization in grokking tasks by preventing NLM altogether. These contributions provide new insights into grokking, elucidating its delayed generalization, reliance on regularization, and the effectiveness of existing grokking-inducing methods. Code for this paper is available at https://github.com/LucasPrietoAl/grokking-at-the-edge-of-numerical-stability.

During both pretraining and fine-tuning, Large Language Models (LLMs) are trained on trillions of tokens of text of widely varying quality. Both phases of training typically involve heuristically filtering out ``low-quality'' or noisy training samples, yet little is known quantitatively about how the type or intensity of noise affects downstream performance. In this work, we study how noise in chain of thought (CoT) impacts task performance in the highly-controlled setting of algorithmically solvable tasks. First, we develop the Traced Integer (TInt) framework to generate highly customizable noised execution traces for any arithmetic function on lists of integers. We then define two types of noise: static noise, a local form of noise which is applied after the CoT trace is computed, and dynamic noise, a global form of noise which propagates errors in the trace as it is computed. We then evaluate the test performance of pretrained models both prompted and fine-tuned on noised datasets with varying levels of dataset contamination and intensity. We find fine-tuned models are extremely robust to high levels of static noise but struggle significantly more with lower levels of dynamic noise. In contrast, few-shot prompted models appear more sensitive to even static noise. We conclude with a discussion of how our findings impact noise filtering best-practices, in particular emphasizing the importance of removing samples containing destructive dynamic noise with global errors.

While the phenomenon of grokking, i.e., delayed generalization, has been studied extensively, it remains an open problem whether there is a mathematical framework that characterizes what kind of features will emerge, how and in which conditions it happens, and is closely related to the gradient dynamics of the training, for complex structured inputs. We propose a novel framework, named Li_2, that captures three key stages for the grokking behavior of 2-layer nonlinear networks: (I) \textbf{L}azy learning, (II) \textbf{i}ndependent feature learning and (III) \textbf{i}nteractive feature learning. At the lazy learning stage, top layer overfits to random hidden representation and the model appears to memorize. Thanks to lazy learning and weight decay, the backpropagated gradient G_F from the top layer now carries information about the target label, with a specific structure that enables each hidden node to learn their representation independently. Interestingly, the independent dynamics follows exactly the gradient ascent of an energy function E, and its local maxima are precisely the emerging features. We study whether these local-optima induced features are generalizable, their representation power, and how they change on sample size, in group arithmetic tasks. When hidden nodes start to interact in the later stage of learning, we provably show how G_F changes to focus on missing features that need to be learned. Our study sheds lights on roles played by key hyperparameters such as weight decay, learning rate and sample sizes in grokking, leads to provable scaling laws of feature emergence, memorization and generalization, and reveals the underlying cause why recent optimizers such as Muon can be effective, from the first principles of gradient dynamics. Our analysis can be extended to multi-layer architectures.

Long-term time series forecasting requires models that simultaneously capture rapid oscillations, medium-range periodicities, and slowly evolving macro-trends from a fixed look-back window. Existing lightweight MLP-based models typically operate on a single temporal resolution, limiting their ability to explicitly model patterns at multiple scales. We propose MSMixer, a channel-independent multi-scale MLP architecture that addresses this limitation through three complementary innovations: (i) three parallel scale branches at down-sample factors {1x, 4x, 16x} with independent MLP blocks, (ii) a learnable softmax gate that dynamically weighs branch outputs, and (iii) a DLinear complementary shortcut that provides full-window trend and seasonality context. MSMixer contains only 112K parameters at H=96 and runs at O(T) complexity. Evaluated on four ETT benchmarks with standard chronological splits and three random seeds, MSMixer achieves the lowest average MSE (0.357) among lightweight models, outperforming DLinear (0.386, -7.4%) and NLinear (0.365, -2.1%), winning 12 of 16 configurations. Against five Transformer-based baselines from the literature, MSMixer achieves best or second-best MSE in 9 of 16 configurations while using 5x fewer parameters than PatchTST. Ablation and sensitivity analyses confirm the complementary contributions of the multi-scale branches and the DLinear shortcut.

Long-term Time Series Forecasting (LTSF) is critical for numerous real-world applications, such as electricity consumption planning, financial forecasting, and disease propagation analysis. LTSF requires capturing long-range dependencies between inputs and outputs, which poses significant challenges due to complex temporal dynamics and high computational demands. While linear models reduce model complexity by employing frequency domain decomposition, current approaches often assume stationarity and filter out high-frequency components that may contain crucial short-term fluctuations. In this paper, we introduce MMFNet, a novel model designed to enhance long-term multivariate forecasting by leveraging a multi-scale masked frequency decomposition approach. MMFNet captures fine, intermediate, and coarse-grained temporal patterns by converting time series into frequency segments at varying scales while employing a learnable mask to filter out irrelevant components adaptively. Extensive experimentation with benchmark datasets shows that MMFNet not only addresses the limitations of the existing methods but also consistently achieves good performance. Specifically, MMFNet achieves up to 6.0% reductions in the Mean Squared Error (MSE) compared to state-of-the-art models designed for multivariate forecasting tasks.

Current open-weight large language models (LLMs) are prone to malicious finetuning attacks, which could compromise the safety alignment of LLMs with only a few steps of supervised finetuning (SFT) on poisoned datasets. Existing alignment-stage defenses are primarily designed to defend against attacks that use parameter-efficient finetuning methods. However, they fail to defend against stronger attacks that use full-parameter finetuning. In this paper, we propose Patcher, a method inspired by adversarial training and bi-level optimization, to combat such attacks. Patcher strengthens the simulated attack by scaling up the optimization steps in the adversarial loop, thus forcing the defender to find model parameters that are insensitive to stronger attacks. Furthermore, we propose an efficient parallel algorithm to implement Patcher, decreasing the wall-clock time of training while preserving Patcher's performance. Extensive experiments show that Patcher substantially improves the model's robustness compared to vanilla SFT alignment, and transfers to diverse attack scenarios and model sizes. Code is available at https://github.com/haomingwen/patcher.

We present a conceptual framework, datamodeling, for analyzing the behavior of a model class in terms of the training data. For any fixed "target" example x, training set S, and learning algorithm, a datamodel is a parameterized function 2^S to R that for any subset of S' subset S -- using only information about which examples of S are contained in S' -- predicts the outcome of training a model on S' and evaluating on x. Despite the potential complexity of the underlying process being approximated (e.g., end-to-end training and evaluation of deep neural networks), we show that even simple linear datamodels can successfully predict model outputs. We then demonstrate that datamodels give rise to a variety of applications, such as: accurately predicting the effect of dataset counterfactuals; identifying brittle predictions; finding semantically similar examples; quantifying train-test leakage; and embedding data into a well-behaved and feature-rich representation space. Data for this paper (including pre-computed datamodels as well as raw predictions from four million trained deep neural networks) is available at https://github.com/MadryLab/datamodels-data .

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 study how the next-token prediction of an autoregressive Transformer language model changes under small perturbations of earlier input token embeddings. Motivated by operator learning and iterative solvers for differential equations, we investigate how the influence of one token on another decays with distance in a trained model. In multilevel methods for differential equations, such as domain decomposition, multigrid, and multilevel preconditioning, one often exploits a separation between strong local interactions and weaker but essential global interactions. The latter correspond to the long tail of the Green's function and are typically handled by a coarse-level operator. Inspired by this perspective, we compute an empirical, distance-resolved gradient profile of token dependencies using autograd. Experiments on trained Pythia models and Qwen2.5-0.5B show that, over the measured distance range, the median Jacobian sensitivity is much better described by a power-law-type decay than by an exponential alternative: the diagonal-normalized profile is well described by $overline G(r) approx γ+β(r+1)^{-p} with exponents p \approx 0.7--0.9 (typically 0.8--0.9$). This behavior appears on coherent text from Gutenberg and WikiText-103. Token-shuffling experiments show that the power-law profile persists even when syntax and prediction quality collapse, whereas randomly initialized models do not exhibit it. The slowly decaying long-range sensitivity thus appears to be a learned property of trained autoregressive Transformer operators. These findings suggest that hierarchical or coarse-level mechanisms in language models may be able to exploit the long-tailed sensitivity profiles.

Deep learning sometimes appears to work in unexpected ways. In pursuit of a deeper understanding of its surprising behaviors, we investigate the utility of a simple yet accurate model of a trained neural network consisting of a sequence of first-order approximations telescoping out into a single empirically operational tool for practical analysis. Across three case studies, we illustrate how it can be applied to derive new empirical insights on a diverse range of prominent phenomena in the literature -- including double descent, grokking, linear mode connectivity, and the challenges of applying deep learning on tabular data -- highlighting that this model allows us to construct and extract metrics that help predict and understand the a priori unexpected performance of neural networks. We also demonstrate that this model presents a pedagogical formalism allowing us to isolate components of the training process even in complex contemporary settings, providing a lens to reason about the effects of design choices such as architecture & optimization strategy, and reveals surprising parallels between neural network learning and gradient boosting.

Transformer-based foundation models have emerged as a dominant paradigm in time series analysis, offering unprecedented capabilities in tasks such as forecasting, anomaly detection, classification, trend analysis and many more time series analytical tasks. This survey provides a comprehensive overview of the current state of the art pre-trained foundation models, introducing a novel taxonomy to categorize them across several dimensions. Specifically, we classify models by their architecture design, distinguishing between those leveraging patch-based representations and those operating directly on raw sequences. The taxonomy further includes whether the models provide probabilistic or deterministic predictions, and whether they are designed to work with univariate time series or can handle multivariate time series out of the box. Additionally, the taxonomy encompasses model scale and complexity, highlighting differences between lightweight architectures and large-scale foundation models. A unique aspect of this survey is its categorization by the type of objective function employed during training phase. By synthesizing these perspectives, this survey serves as a resource for researchers and practitioners, providing insights into current trends and identifying promising directions for future research in transformer-based time series modeling.

We consider dense, associative neural-networks trained by a teacher (i.e., with supervision) and we investigate their computational capabilities analytically, via statistical-mechanics of spin glasses, and numerically, via Monte Carlo simulations. In particular, we obtain a phase diagram summarizing their performance as a function of the control parameters such as quality and quantity of the training dataset, network storage and noise, that is valid in the limit of large network size and structureless datasets: these networks may work in a ultra-storage regime (where they can handle a huge amount of patterns, if compared with shallow neural networks) or in a ultra-detection regime (where they can perform pattern recognition at prohibitive signal-to-noise ratios, if compared with shallow neural networks). Guided by the random theory as a reference framework, we also test numerically learning, storing and retrieval capabilities shown by these networks on structured datasets as MNist and Fashion MNist. As technical remarks, from the analytic side, we implement large deviations and stability analysis within Guerra's interpolation to tackle the not-Gaussian distributions involved in the post-synaptic potentials while, from the computational counterpart, we insert Plefka approximation in the Monte Carlo scheme, to speed up the evaluation of the synaptic tensors, overall obtaining a novel and broad approach to investigate supervised learning in neural networks, beyond the shallow limit, in general.

Pickle deserialization vulnerabilities have persisted throughout Python's history, remaining widely recognized yet unresolved. Due to its ability to transparently save and restore complex objects into byte streams, many AI/ML frameworks continue to adopt pickle as the model serialization protocol despite its inherent risks. As the open-source model ecosystem grows, model-sharing platforms such as Hugging Face have attracted massive participation, significantly amplifying the real-world risks of pickle exploitation and opening new avenues for model supply chain poisoning. Although several state-of-the-art scanners have been developed to detect poisoned models, their incomplete understanding of the poisoning surface leaves the detection logic fragile and allows attackers to bypass them. In this work, we present the first systematic disclosure of the pickle-based model poisoning surface from both model loading and risky function perspectives. Our research demonstrates how pickle-based model poisoning can remain stealthy and highlights critical gaps in current scanning solutions. On the model loading surface, we identify 22 distinct pickle-based model loading paths across five foundational AI/ML frameworks, 19 of which are entirely missed by existing scanners. We further develop a bypass technique named Exception-Oriented Programming (EOP) and discover 9 EOP instances, 7 of which can bypass all scanners. On the risky function surface, we discover 133 exploitable gadgets, achieving almost a 100% bypass rate. Even against the best-performing scanner, these gadgets maintain an 89% bypass rate. By systematically revealing the pickle-based model poisoning surface, we achieve practical and robust bypasses against real-world scanners. We responsibly disclose our findings to corresponding vendors, receiving acknowledgments and a $6000 bug bounty.

Implicit Neural Representation (INR) has emerged as a powerful tool for encoding discrete signals into continuous, differentiable functions using neural networks. However, these models often have an unfortunate reliance on monolithic architectures to represent high-dimensional data, leading to prohibitive computational costs as dimensionality grows. We propose F-INR, a framework that reformulates INR learning through functional tensor decomposition, breaking down high-dimensional tasks into lightweight, axis-specific sub-networks. Each sub-network learns a low-dimensional data component (e.g., spatial or temporal). Then, we combine these components via tensor operations, reducing forward pass complexity while improving accuracy through specialized learning. F-INR is modular and, therefore, architecture-agnostic, compatible with MLPs, SIREN, WIRE, or other state-of-the-art INR architecture. It is also decomposition-agnostic, supporting CP, TT, and Tucker modes with user-defined rank for speed-accuracy control. In our experiments, F-INR trains 100times faster than existing approaches on video tasks while achieving higher fidelity (+3.4 dB PSNR). Similar gains hold for image compression, physics simulations, and 3D geometry reconstruction. Through this, F-INR offers a new scalable, flexible solution for high-dimensional signal modeling.

Real-world analog systems intrinsically suffer from noise that can impede model convergence and accuracy on a variety of deep learning models. We demonstrate that differentiable activations like GELU and SiLU enable robust propagation of gradients which help to mitigate analog quantization error that is ubiquitous to all analog systems. We perform analysis and training of convolutional, linear, and transformer networks in the presence of quantized noise. Here, we are able to demonstrate that continuously differentiable activation functions are significantly more noise resilient over conventional rectified activations. As in the case of ReLU, the error in gradients are 100x higher than those in GELU near zero. Our findings provide guidance for selecting appropriate activations to realize performant and reliable hardware implementations across several machine learning domains such as computer vision, signal processing, and beyond.

The emergence of foundational models has greatly improved performance across various downstream tasks, with fine-tuning often yielding even better results. However, existing fine-tuning approaches typically require access to model weights and layers, leading to challenges such as managing multiple model copies or inference pipelines, inefficiencies in edge device optimization, and concerns over proprietary rights, privacy, and exposure to unsafe model variants. In this paper, we address these challenges by exploring "Gray-box" fine-tuning approaches, where the model's architecture and weights remain hidden, allowing only gradient propagation. We introduce a novel yet simple and effective framework that adapts to new tasks using two lightweight learnable modules at the model's input and output. Additionally, we present a less restrictive variant that offers more entry points into the model, balancing performance with model exposure. We evaluate our approaches across several backbones on benchmarks such as text-image alignment, text-video alignment, and sketch-image alignment. Results show that our Gray-box approaches are competitive with full-access fine-tuning methods, despite having limited access to the model.

Despite a sea of interpretability methods that can produce plausible explanations, the field has also empirically seen many failure cases of such methods. In light of these results, it remains unclear for practitioners how to use these methods and choose between them in a principled way. In this paper, we show that for moderately rich model classes (easily satisfied by neural networks), any feature attribution method that is complete and linear -- for example, Integrated Gradients and SHAP -- can provably fail to improve on random guessing for inferring model behaviour. Our results apply to common end-tasks such as characterizing local model behaviour, identifying spurious features, and algorithmic recourse. One takeaway from our work is the importance of concretely defining end-tasks: once such an end-task is defined, a simple and direct approach of repeated model evaluations can outperform many other complex feature attribution methods.

Large language models (LLMs) consistently benefit from further fine-tuning on various tasks. However, we observe that directly tuning the INSTRUCT (i.e., instruction tuned) models often leads to marginal improvements and even performance degeneration. Notably, paired BASE models, the foundation for these INSTRUCT variants, contain highly similar weight values (i.e., less than 2% on average for Llama 3.1 8B). Therefore, we propose a novel Shadow-FT framework to tune the INSTRUCT models by leveraging the corresponding BASE models. The key insight is to fine-tune the BASE model, and then directly graft the learned weight updates to the INSTRUCT model. Our proposed Shadow-FT introduces no additional parameters, is easy to implement, and significantly improves performance. We conduct extensive experiments on tuning mainstream LLMs, such as Qwen 3 and Llama 3 series, and evaluate them across 19 benchmarks covering coding, reasoning, and mathematical tasks. Experimental results demonstrate that Shadow-FT consistently outperforms conventional full-parameter and parameter-efficient tuning approaches. Further analyses indicate that Shadow-FT can be applied to multimodal large language models (MLLMs) and combined with direct preference optimization (DPO). Codes and weights are available at https://github.com/wutaiqiang/Shadow-FT{Github}.

The success of pretrain-finetune paradigm brings about the release of numerous model weights. In this case, merging models finetuned on different tasks to enable a single model with multi-task capabilities is gaining increasing attention for its practicability. Existing model merging methods usually suffer from (1) significant performance degradation or (2) requiring tuning by additional data or training. In this paper, we rethink and analyze the existing model merging paradigm. We discover that using a single model's weights can hardly simulate all the models' performance. To tackle this issue, we propose Elect, Mask & Rescale-Merging (EMR-Merging). We first (a) elect a unified model from all the model weights and then (b) generate extremely lightweight task-specific modulators, including masks and rescalers, to align the direction and magnitude between the unified model and each specific model, respectively. EMR-Merging is tuning-free, thus requiring no data availability or any additional training while showing impressive performance. We find that EMR-Merging shows outstanding performance compared to existing merging methods under different classical and newly-established settings, including merging different numbers of vision models (up to 30), NLP models, PEFT models, and multi-modal models.

It is not fully understood why adversarial examples can deceive neural networks and transfer between different networks. To elucidate this, several studies have hypothesized that adversarial perturbations, while appearing as noises, contain class features. This is supported by empirical evidence showing that networks trained on mislabeled adversarial examples can still generalize well to correctly labeled test samples. However, a theoretical understanding of how perturbations include class features and contribute to generalization is limited. In this study, we provide a theoretical framework for understanding learning from perturbations using a one-hidden-layer network trained on mutually orthogonal samples. Our results highlight that various adversarial perturbations, even perturbations of a few pixels, contain sufficient class features for generalization. Moreover, we reveal that the decision boundary when learning from perturbations matches that from standard samples except for specific regions under mild conditions. The code is available at https://github.com/s-kumano/learning-from-adversarial-perturbations.

We develop a unified theoretical framework for sparse knowledge distillation based on probability-domain softening operators. While the equivalence p^{1/T} propto softmax(z/T) is well known, our contribution is an operator-level analytical framework built on this foundation rather than the equivalence itself. The framework comprises four core components: (i) operator-agnostic bias--variance decompositions that characterize when sparse students outperform dense teachers, (ii) a homotopy path formalization of multi-stage pruning in function space explaining why iterative compression succeeds where one-shot pruning fails, (iii) convergence guarantees establishing O(1/n) rates for n-stage distillation with explicit parameter dependence, and (iv) equivalence class characterizations identifying distinct probability-domain operators that yield identical student models under capacity constraints. We introduce an axiomatic definition of probability-domain softening operators based on ranking preservation, continuity, entropy monotonicity, identity, and boundary behavior, and show that multiple non-equivalent operator families satisfy these axioms. All learning-theoretic guarantees are shown to hold uniformly across this operator class, independent of implementation details. These results provide theoretical grounding for black-box teacher distillation, partial-access settings such as top-k truncation and text-only outputs, and privacy-preserving model compression.

Fast feedforward networks (FFFs) are a class of neural networks that exploit the observation that different regions of the input space activate distinct subsets of neurons in wide networks. FFFs partition the input space into separate sections using a differentiable binary tree of neurons and during inference descend the binary tree in order to improve computational efficiency. Inspired by Mixture of Experts (MoE) research, we propose the incorporation of load balancing and Master Leaf techniques into the FFF architecture to improve performance and simplify the training process. We reproduce experiments found in literature and present results on FFF models enhanced using these techniques. The proposed architecture and training recipe achieves up to 16.3% and 3% absolute classification accuracy increase in training and test accuracy, respectively, compared to the original FFF architecture. Additionally, we observe a smaller variance in the results compared to those reported in prior research. These findings demonstrate the potential of integrating MoE-inspired techniques into FFFs for developing more accurate and efficient models.

While poisoning attacks on machine learning models have been extensively studied, the mechanisms by which adversaries can distribute poisoned models at scale remain largely unexplored. In this paper, we shed light on how model leaderboards -- ranked platforms for model discovery and evaluation -- can serve as a powerful channel for adversaries for stealthy large-scale distribution of poisoned models. We present TrojanClimb, a general framework that enables injection of malicious behaviors while maintaining competitive leaderboard performance. We demonstrate its effectiveness across four diverse modalities: text-embedding, text-generation, text-to-speech and text-to-image, showing that adversaries can successfully achieve high leaderboard rankings while embedding arbitrary harmful functionalities, from backdoors to bias injection. Our findings reveal a significant vulnerability in the machine learning ecosystem, highlighting the urgent need to redesign leaderboard evaluation mechanisms to detect and filter malicious (e.g., poisoned) models, while exposing broader security implications for the machine learning community regarding the risks of adopting models from unverified sources.

We study the emergence of multi-step reasoning in deep Transformer language models through a geometric and statistical-physics lens. Treating the hidden-state trajectory as a flow on an implicit Riemannian manifold, we analyze the layerwise covariance spectrum of activations, where C^{(ell)}=E[h^{(ell)}h^{(ell)top}], and track deviations from a random-matrix bulk. Across model scales (1.5B--30B), we observe a sharp reduction in effective dimensionality consistent with a phase transition: an order parameter based on sparsity/localization, Ω(h)=1-|h|_1/(d|h|_2), exhibits a discontinuity near a critical normalized depth γ_capprox 0.42 in sufficiently large models. We formalize the forward pass as a discrete coarse-graining map and relate the appearance of stable "concept basins" to fixed points of this renormalization-like dynamics. The resulting low-entropy regime is characterized by a spectral tail collapse and by the formation of transient, reusable object-like structures in representation space, which we call Transient Class Objects (TCOs). We provide theoretical conditions connecting logical separability to spectral decay and validate the predicted signatures with layerwise probes on multiple open-weight model families.

Model attribution is a popular tool to explain the rationales behind model predictions. However, recent work suggests that the attributions are vulnerable to minute perturbations, which can be added to input samples to fool the attributions while maintaining the prediction outputs. Although empirical studies have shown positive performance via adversarial training, an effective certified defense method is eminently needed to understand the robustness of attributions. In this work, we propose to use uniform smoothing technique that augments the vanilla attributions by noises uniformly sampled from a certain space. It is proved that, for all perturbations within the attack region, the cosine similarity between uniformly smoothed attribution of perturbed sample and the unperturbed sample is guaranteed to be lower bounded. We also derive alternative formulations of the certification that is equivalent to the original one and provides the maximum size of perturbation or the minimum smoothing radius such that the attribution can not be perturbed. We evaluate the proposed method on three datasets and show that the proposed method can effectively protect the attributions from attacks, regardless of the architecture of networks, training schemes and the size of the datasets.

The proliferation of pre-trained models (PTMs) and datasets has led to the emergence of centralized model hubs like Hugging Face, which facilitate collaborative development and reuse. However, recent security reports have uncovered vulnerabilities and instances of malicious attacks within these platforms, highlighting growing security concerns. This paper presents the first systematic study of malicious code poisoning attacks on pre-trained model hubs, focusing on the Hugging Face platform. We conduct a comprehensive threat analysis, develop a taxonomy of model formats, and perform root cause analysis of vulnerable formats. While existing tools like Fickling and ModelScan offer some protection, they face limitations in semantic-level analysis and comprehensive threat detection. To address these challenges, we propose MalHug, an end-to-end pipeline tailored for Hugging Face that combines dataset loading script extraction, model deserialization, in-depth taint analysis, and heuristic pattern matching to detect and classify malicious code poisoning attacks in datasets and models. In collaboration with Ant Group, a leading financial technology company, we have implemented and deployed MalHug on a mirrored Hugging Face instance within their infrastructure, where it has been operational for over three months. During this period, MalHug has monitored more than 705K models and 176K datasets, uncovering 91 malicious models and 9 malicious dataset loading scripts. These findings reveal a range of security threats, including reverse shell, browser credential theft, and system reconnaissance. This work not only bridges a critical gap in understanding the security of the PTM supply chain but also provides a practical, industry-tested solution for enhancing the security of pre-trained model hubs.

Although large-scale self-supervised learning (SSL) models like WavLM have achieved state-of-the-art performance in speech processing, their significant size impedes deployment on resource-constrained devices. While structured pruning is a key technique for model compression, existing methods typically separate it from task-specific fine-tuning. This multi-stage approach struggles to create optimal architectures tailored for diverse downstream tasks. In this work, we introduce a unified framework that integrates structured pruning into the downstream fine-tuning process. Our framework unifies these steps, jointly optimizing for task performance and model sparsity in a single stage. This allows the model to learn a compressed architecture specifically for the end task, eliminating the need for complex multi-stage pipelines and knowledge distillation. Our pruned models achieve up to a 70\% parameter reduction with negligible performance degradation on large-scale datasets, achieving equal error rates of 0.7\%, 0.8\%, and 1.6\% on Vox1-O, -E, and -H, respectively. Furthermore, our approach demonstrates improved generalization in low-resource scenarios, reducing overfitting and achieving a state-of-the-art 3.7\% EER on ASVspoof5.

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

Larger models learn tasks smaller models do not. What drives this phenomenon? We develop a simple phenomenological argument that power-law scaling already suggests that a larger model will be able to learn a part of the data distribution that a smaller model fails to learn, even with infinite training data. To validate this claim and identify its causes, we study the effects of model scaling on a synthetic setup consisting of a mixture of tasks that show monotonic scaling curves. The results point to a data-induced competition over resources (neurons). Specifically, smaller models allocate their neurons to high frequency or low complexity tasks, and so they learn solutions that perform poorly on rare and complex tasks. Moreover, this happens even when solutions capable of expressing the desired task exist. We then assess how a larger model circumvents this data-centric bottleneck, finding that it traces to a reduced interference mechanism: larger models can allocate enough resources to common tasks that the gradient updates for those tasks become weak, which means that they do not overwrite rare-task features as they slowly accumulate. Finally, to further validate these claims, we pretrain OLMo models (4M to 4B parameters) on novel tasks of varying frequency and complexity. The results mirror those from our synthetic data experiments: only the larger OLMo models learn the infrequent and complex tasks, and these larger models embed more task features in their representations and show less gradient interference between tasks. Overall, we offer a data-centric account of why larger models learn tasks that smaller models fail to. This helps explain why larger models are better in practice, and it can inform practical questions concerning model sizing and training data mixtures.

We study grokking, the onset of generalization long after overfitting, in a classical ridge regression setting. We prove end-to-end grokking results for learning over-parameterized linear regression models using gradient descent with weight decay. Specifically, we prove that the following stages occur: (i) the model overfits the training data early during training; (ii) poor generalization persists long after overfitting has manifested; and (iii) the generalization error eventually becomes arbitrarily small. Moreover, we show, both theoretically and empirically, that grokking can be amplified or eliminated in a principled manner through proper hyperparameter tuning. To the best of our knowledge, these are the first rigorous quantitative bounds on the generalization delay (which we refer to as the "grokking time") in terms of training hyperparameters. Lastly, going beyond the linear setting, we empirically demonstrate that our quantitative bounds also capture the behavior of grokking on non-linear neural networks. Our results suggest that grokking is not an inherent failure mode of deep learning, but rather a consequence of specific training conditions, and thus does not require fundamental changes to the model architecture or learning algorithm to avoid.

Is bigger always better for time series foundation models? With the question in mind, we explore an alternative to training a single, large monolithic model: building a portfolio of smaller, pretrained forecasting models. By applying ensembling or model selection over these portfolios, we achieve competitive performance on large-scale benchmarks using much fewer parameters. We explore strategies for designing such portfolios and find that collections of specialist models consistently outperform portfolios of independently trained generalists. Remarkably, we demonstrate that post-training a base model is a compute-effective approach for creating sufficiently diverse specialists, and provide evidences that ensembling and model selection are more compute-efficient than test-time fine-tuning.

Orthonormalized update rules have rapidly become a leading choice of optimizer for training large language models, with recent open-source state-of-the-art models adopting Muon. To keep these updates tractable, Muon performs the orthonormalization with the Newton--Schulz (NS) iteration. Since NS is only approximate, directions with small singular values fail to be orthonormalized. In Muon, NS is applied to the momentum matrix at every step, yet little is known about how the singular value spectrum of these momentum matrices behaves during training, or how that behavior changes with model size. We present the first systematic study of this question. Tracking singular value quantiles of the momentum buffer across layers in models ranging from 77M to 2.8B parameters, we observe a consistent picture: after a short burn-in, the quantiles stabilize at a value determined by the layer type and model size. These stabilization values follow remarkably clean power laws in model size, with layer-dependent exponents. Layers up to mid-late depth scale very mildly with model size M (around M^{-0.25}), so the standard 5-step NS configuration used at academic scale will continue to orthonormalize them at much larger scales. Some of the late layers, however, scale much more aggressively (up to M^{-0.96}) and will fall into the NS failure regime at frontier scale unless one uses more NS iterations or better-tuned coefficients. NS iterations are computationally expensive at scale; our laws give practitioners a principled, layer-aware recipe for choosing the minimum NS configuration that still orthonormalizes the directions that matter -- avoiding unnecessary computation without sacrificing update quality.

Model pruning is a popular approach to enable the deployment of large deep learning models on edge devices with restricted computational or storage capacities. Although sparse models achieve performance comparable to that of their dense counterparts at the level of the entire dataset, they exhibit high accuracy drops for some data sub-groups. Existing methods to mitigate this disparate impact induced by pruning (i) rely on surrogate metrics that address the problem indirectly and have limited interpretability; or (ii) scale poorly with the number of protected sub-groups in terms of computational cost. We propose a constrained optimization approach that directly addresses the disparate impact of pruning: our formulation bounds the accuracy change between the dense and sparse models, for each sub-group. This choice of constraints provides an interpretable success criterion to determine if a pruned model achieves acceptable disparity levels. Experimental results demonstrate that our technique scales reliably to problems involving large models and hundreds of protected sub-groups.

How does the internal computation of a machine learning model transform inputs into predictions? In this paper, we introduce a task called component modeling that aims to address this question. The goal of component modeling is to decompose an ML model's prediction in terms of its components -- simple functions (e.g., convolution filters, attention heads) that are the "building blocks" of model computation. We focus on a special case of this task, component attribution, where the goal is to estimate the counterfactual impact of individual components on a given prediction. We then present COAR, a scalable algorithm for estimating component attributions; we demonstrate its effectiveness across models, datasets, and modalities. Finally, we show that component attributions estimated with COAR directly enable model editing across five tasks, namely: fixing model errors, ``forgetting'' specific classes, boosting subpopulation robustness, localizing backdoor attacks, and improving robustness to typographic attacks. We provide code for COAR at https://github.com/MadryLab/modelcomponents .

Deep residual architectures, such as ResNet and the Transformer, have enabled models of unprecedented depth, yet a formal understanding of why depth is so effective remains an open question. A popular intuition, following Veit et al. (2016), is that these residual networks behave like ensembles of many shallower models. Our key finding is an explicit analytical formula that verifies this ensemble perspective, proving that increasing network depth is mathematically equivalent to expanding the size of this implicit ensemble. Furthermore, our expansion reveals a hierarchical ensemble structure in which the combinatorial growth of computation paths leads to an explosion in the output signal, explaining the historical necessity of normalization layers in training deep models. This insight offers a first principles explanation for the historical dependence on normalization layers and sheds new light on a family of successful normalization-free techniques like SkipInit and Fixup. However, while these previous approaches infer scaling factors through optimizer analysis or a heuristic analogy to Batch Normalization, our work offers the first explanation derived directly from the network's inherent functional structure. Specifically, our Residual Expansion Theorem reveals that scaling each residual module provides a principled solution to taming the combinatorial explosion inherent to these architectures. We further show that this scaling acts as a capacity controls that also implicitly regularizes the model's complexity.

Model pruning seeks to induce sparsity in a deep neural network's various connection matrices, thereby reducing the number of nonzero-valued parameters in the model. Recent reports (Han et al., 2015; Narang et al., 2017) prune deep networks at the cost of only a marginal loss in accuracy and achieve a sizable reduction in model size. This hints at the possibility that the baseline models in these experiments are perhaps severely over-parameterized at the outset and a viable alternative for model compression might be to simply reduce the number of hidden units while maintaining the model's dense connection structure, exposing a similar trade-off in model size and accuracy. We investigate these two distinct paths for model compression within the context of energy-efficient inference in resource-constrained environments and propose a new gradual pruning technique that is simple and straightforward to apply across a variety of models/datasets with minimal tuning and can be seamlessly incorporated within the training process. We compare the accuracy of large, but pruned models (large-sparse) and their smaller, but dense (small-dense) counterparts with identical memory footprint. Across a broad range of neural network architectures (deep CNNs, stacked LSTM, and seq2seq LSTM models), we find large-sparse models to consistently outperform small-dense models and achieve up to 10x reduction in number of non-zero parameters with minimal loss in accuracy.

Ensemble forecasting is crucial for improving weather predictions, especially for forecasts of extreme events. Constructing an ensemble prediction system (EPS) based on conventional NWP models is highly computationally expensive. ML models have emerged as valuable tools for deterministic weather forecasts, providing forecasts with significantly reduced computational requirements and even surpassing the forecast performance of traditional NWP models. However, challenges arise when applying ML models to ensemble forecasting. Recent ML models, such as GenCast and SEEDS model, rely on the ERA5 EDA or operational NWP ensemble members for forecast generation. Their spatial resolution is also considered too coarse for many applications. To overcome these limitations, we introduce FuXi-ENS, an advanced ML model designed to deliver 6-hourly global ensemble weather forecasts up to 15 days. This model runs at a significantly increased spatial resolution of 0.25\textdegree, incorporating 5 atmospheric variables at 13 pressure levels, along with 13 surface variables. By leveraging the inherent probabilistic nature of Variational AutoEncoder (VAE), FuXi-ENS optimizes a loss function that combines the CRPS and the KL divergence between the predicted and target distribution, facilitating the incorporation of flow-dependent perturbations in both initial conditions and forecast. This innovative approach makes FuXi-ENS an advancement over the traditional ones that use L1 loss combined with the KL loss in standard VAE models for ensemble weather forecasting. Results demonstrate that FuXi-ENS outperforms ensemble forecasts from the ECMWF, a world leading NWP model, in the CRPS of 98.1% of 360 variable and forecast lead time combinations. This achievement underscores the potential of the FuXi-ENS model to enhance ensemble weather forecasts, offering a promising direction for further development in this field.

The model is usually kept integral in the mainstream large language model (LLM) fine-tuning protocols. No works have questioned whether maintaining the integrity of the model is indispensable for performance. In this work, we introduce Mask Fine-Tuning (MFT), a brand-new LLM fine-tuning paradigm to show that properly breaking the integrity of the model can surprisingly lead to improved performance. Specifically, MFT learns a set of binary masks supervised by the typical LLM fine-tuning objective. Extensive experiments show that MFT gains a consistent performance boost across various domains and backbones (e.g., 1.95%/1.88% average gain in coding with LLaMA2-7B/3.1-8B). Detailed procedures are provided to study the proposed MFT from different hyperparameter perspectives for better insight. In particular, MFT naturally updates the current LLM training protocol by deploying it on a complete well-trained model. This study extends the functionality of mask learning from its conventional network pruning context for model compression to a more general scope.

Parameter-efficient fine-tuning (PEFT) techniques make it possible to efficiently adapt a language model to create "expert" models that specialize to new tasks or domains. Recent techniques in model merging and compositional generalization leverage these expert models by dynamically composing modules to improve zero/few-shot generalization. Despite the efficiency of PEFT methods, the size of expert models can make it onerous to retrieve expert models per query over high-latency networks like the Internet or serve multiple experts on a single GPU. To address these issues, we present ComPEFT, a novel method for compressing fine-tuning residuals (task vectors) of PEFT based models. ComPEFT employs sparsification and ternary quantization to reduce the size of the PEFT module without performing any additional retraining while preserving or enhancing model performance. In extensive evaluation across T5, T0, and LLaMA-based models with 200M - 65B parameters, ComPEFT achieves compression ratios of 8x - 50x. In particular, we show that ComPEFT improves with scale - stronger models exhibit higher compressibility and better performance. For example, we show that ComPEFT applied to LLaMA outperforms QLoRA by 4.16% on MMLU with a storage size reduction of up to 26x. In addition, we show that the compressed experts produced by ComPEFT maintain few-shot compositional generalization capabilities, facilitate efficient communication and computation, and exhibit enhanced performance when merged. Lastly, we provide an analysis of different method components, compare it with other PEFT methods, and test ComPEFT's efficacy for compressing the residual of full-finetuning. Our code is available at https://github.com/prateeky2806/compeft.

Kolmogorov-Arnold Networks (KANs) have gained significant attention as an alternative to traditional multilayer perceptrons, with proponents claiming superior interpretability and performance through learnable univariate activation functions. However, recent systematic evaluations reveal substantial discrepancies between theoretical claims and empirical evidence. This critical assessment examines KANs' actual performance across diverse domains using fair comparison methodologies that control for parameters and computational costs. Our analysis demonstrates that KANs outperform MLPs only in symbolic regression tasks, while consistently underperforming in machine learning, computer vision, and natural language processing benchmarks. The claimed advantages largely stem from B-spline activation functions rather than architectural innovations, and computational overhead (1.36-100x slower) severely limits practical deployment. Furthermore, theoretical claims about breaking the "curse of dimensionality" lack rigorous mathematical foundation. We systematically identify the conditions under which KANs provide value versus traditional approaches, establish evaluation standards for future research, and propose a priority-based roadmap for addressing fundamental limitations. This work provides researchers and practitioners with evidence-based guidance for the rational adoption of KANs while highlighting critical research gaps that must be addressed for broader applicability.

Transformer models are deployed in a wide range of settings, from multi-accelerator clusters to standalone mobile phones. The diverse inference constraints in these scenarios necessitate practitioners to train foundation models such as PaLM 2, Llama, & ViTs as a series of models of varying sizes. Due to significant training costs, only a select few model sizes are trained and supported, limiting more fine-grained control over relevant tradeoffs, including latency, cost, and accuracy. This work introduces MatFormer, a nested Transformer architecture designed to offer elasticity in a variety of deployment constraints. Each Feed Forward Network (FFN) block of a MatFormer model is jointly optimized with a few nested smaller FFN blocks. This training procedure allows for the Mix'n'Match of model granularities across layers -- i.e., a trained universal MatFormer model enables extraction of hundreds of accurate smaller models, which were never explicitly optimized. We empirically demonstrate MatFormer's effectiveness across different model classes (decoders & encoders), modalities (language & vision), and scales (up to 2.6B parameters). We find that a 2.6B decoder-only MatFormer language model (MatLM) allows us to extract smaller models spanning from 1.5B to 2.6B, each exhibiting comparable validation loss and one-shot downstream evaluations to their independently trained counterparts. Furthermore, we observe that smaller encoders extracted from a universal MatFormer-based ViT (MatViT) encoder preserve the metric-space structure for adaptive large-scale retrieval. Finally, we showcase that speculative decoding with the accurate and consistent submodels extracted from MatFormer can further reduce inference latency.

Offline optimization has recently emerged as an increasingly popular approach to mitigate the prohibitively expensive cost of online experimentation. The key idea is to learn a surrogate of the black-box function that underlines the target experiment using a static (offline) dataset of its previous input-output queries. Such an approach is, however, fraught with an out-of-distribution issue where the learned surrogate becomes inaccurate outside the offline data regimes. To mitigate this, existing offline optimizers have proposed numerous conditioning techniques to prevent the learned surrogate from being too erratic. Nonetheless, such conditioning strategies are often specific to particular surrogate or search models, which might not generalize to a different model choice. This motivates us to develop a model-agnostic approach instead, which incorporates a notion of model sharpness into the training loss of the surrogate as a regularizer. Our approach is supported by a new theoretical analysis demonstrating that reducing surrogate sharpness on the offline dataset provably reduces its generalized sharpness on unseen data. Our analysis extends existing theories from bounding generalized prediction loss (on unseen data) with loss sharpness to bounding the worst-case generalized surrogate sharpness with its empirical estimate on training data, providing a new perspective on sharpness regularization. Our extensive experimentation on a diverse range of optimization tasks also shows that reducing surrogate sharpness often leads to significant improvement, marking (up to) a noticeable 9.6% performance boost. Our code is publicly available at https://github.com/cuong-dm/IGNITE

For Large Vision-Language Models (LVLMs), scaling the model can effectively improve performance. However, expanding model parameters significantly increases the training and inferring costs, as all model parameters are activated for each token in the calculation. In this work, we propose a novel training strategy MoE-tuning for LVLMs, which can constructing a sparse model with an outrageous number of parameter but a constant computational cost, and effectively addresses the performance degradation typically associated with multi-modal learning and model sparsity. Furthermore, we present the MoE-LLaVA framework, a MoE-based sparse LVLM architecture. This framework uniquely activates only the top-k experts through routers during deployment, keeping the remaining experts inactive. Our extensive experiments highlight the excellent capabilities of MoE-LLaVA in visual understanding and its potential to reduce hallucinations in model outputs. Remarkably, with just 3 billion sparsely activated parameters, MoE-LLaVA demonstrates performance comparable to the LLaVA-1.5-7B on various visual understanding datasets and even surpasses the LLaVA-1.5-13B in object hallucination benchmarks. Through MoE-LLaVA, we aim to establish a baseline for sparse LVLMs and provide valuable insights for future research in developing more efficient and effective multi-modal learning systems. Code is released at https://github.com/PKU-YuanGroup/MoE-LLaVA.

In mechanical structures like airplanes, cars and houses, noise is generated and transmitted through vibrations. To take measures to reduce this noise, vibrations need to be simulated with expensive numerical computations. Deep learning surrogate models present a promising alternative to classical numerical simulations as they can be evaluated magnitudes faster, while trading-off accuracy. To quantify such trade-offs systematically and foster the development of methods, we present a benchmark on the task of predicting the vibration of harmonically excited plates. The benchmark features a total of 12,000 plate geometries with varying forms of beadings, material, boundary conditions, load position and sizes with associated numerical solutions. To address the benchmark task, we propose a new network architecture, named Frequency-Query Operator, which predicts vibration patterns of plate geometries given a specific excitation frequency. Applying principles from operator learning and implicit models for shape encoding, our approach effectively addresses the prediction of highly variable frequency response functions occurring in dynamic systems. To quantify the prediction quality, we introduce a set of evaluation metrics and evaluate the method on our vibrating-plates benchmark. Our method outperforms DeepONets, Fourier Neural Operators and more traditional neural network architectures and can be used for design optimization. Code, dataset and visualizations: https://github.com/ecker-lab/Learning_Vibrating_Plates

State-of-the-art LLMs often rely on scale with high computational costs, which has sparked a research agenda to reduce parameter counts and costs without significantly impacting performance. Our study focuses on Transformer-based LLMs, specifically applying low-rank parametrization to the computationally intensive feedforward networks (FFNs), which are less studied than attention blocks. In contrast to previous works, (i) we explore low-rank parametrization at scale, up to 1.3B parameters; (ii) within Transformer language models rather than convolutional architectures; and (iii) starting from training from scratch. Experiments on the large RefinedWeb dataset show that low-rank parametrization is both efficient (e.g., 2.6times FFN speed-up with 32\% parameters) and effective during training. Interestingly, these structured FFNs exhibit steeper scaling curves than the original models. Motivated by this finding, we develop the wide and structured networks surpassing the current medium-sized and large-sized Transformer in perplexity and throughput performance. Our code is available at https://github.com/CLAIRE-Labo/StructuredFFN/tree/main.

We introduce the concept of scalable neural network kernels (SNNKs), the replacements of regular feedforward layers (FFLs), capable of approximating the latter, but with favorable computational properties. SNNKs effectively disentangle the inputs from the parameters of the neural network in the FFL, only to connect them in the final computation via the dot-product kernel. They are also strictly more expressive, as allowing to model complicated relationships beyond the functions of the dot-products of parameter-input vectors. We also introduce the neural network bundling process that applies SNNKs to compactify deep neural network architectures, resulting in additional compression gains. In its extreme version, it leads to the fully bundled network whose optimal parameters can be expressed via explicit formulae for several loss functions (e.g. mean squared error), opening a possibility to bypass backpropagation. As a by-product of our analysis, we introduce the mechanism of the universal random features (or URFs), applied to instantiate several SNNK variants, and interesting on its own in the context of scalable kernel methods. We provide rigorous theoretical analysis of all these concepts as well as an extensive empirical evaluation, ranging from point-wise kernel estimation to Transformers' fine-tuning with novel adapter layers inspired by SNNKs. Our mechanism provides up to 5x reduction in the number of trainable parameters, while maintaining competitive accuracy.

With growing size of Neural Networks (NNs), model sparsification to reduce the computational cost and memory demand for model inference has become of vital interest for both research and production. While many sparsification methods have been proposed and successfully applied on individual models, to the best of our knowledge their behavior and robustness has not yet been studied on large populations of models. With this paper, we address that gap by applying two popular sparsification methods on populations of models (so called model zoos) to create sparsified versions of the original zoos. We investigate the performance of these two methods for each zoo, compare sparsification layer-wise, and analyse agreement between original and sparsified populations. We find both methods to be very robust with magnitude pruning able outperform variational dropout with the exception of high sparsification ratios above 80%. Further, we find sparsified models agree to a high degree with their original non-sparsified counterpart, and that the performance of original and sparsified model is highly correlated. Finally, all models of the model zoos and their sparsified model twins are publicly available: modelzoos.cc.

Though CLIP-based prompt tuning significantly enhances pre-trained Vision-Language Models, existing research focuses on reconstructing the model architecture, e.g., additional loss calculation and meta-networks. These approaches generally lead to increased complexity and extended training cost. To maintain the efficiency of the tuning process, we propose plug-and-play Model-Agnostic Optimization (MAO) for prompt tuning. Without altering any components of the prompt tuning backbone, we introduce a Data-Driven Enhancement framework to optimize the distribution of the initial data, and incorporate an Alterable Regularization module to boost the task-specific feature processing pipeline, thereby improving overall performance while maintaining low computational cost. Extensive experiments on MAO demonstrate its outstanding performance and efficiency. The code of MAO is available at: https://github.com/JREion/M.A.O .

A very simple way to improve the performance of almost any machine learning algorithm is to train many different models on the same data and then to average their predictions. Unfortunately, making predictions using a whole ensemble of models is cumbersome and may be too computationally expensive to allow deployment to a large number of users, especially if the individual models are large neural nets. Caruana and his collaborators have shown that it is possible to compress the knowledge in an ensemble into a single model which is much easier to deploy and we develop this approach further using a different compression technique. We achieve some surprising results on MNIST and we show that we can significantly improve the acoustic model of a heavily used commercial system by distilling the knowledge in an ensemble of models into a single model. We also introduce a new type of ensemble composed of one or more full models and many specialist models which learn to distinguish fine-grained classes that the full models confuse. Unlike a mixture of experts, these specialist models can be trained rapidly and in parallel.

Overparameterized neural networks generalize well but are expensive to train. Ideally, one would like to reduce their computational cost while retaining their generalization benefits. Sparse model training is a simple and promising approach to achieve this, but there remain challenges as existing methods struggle with accuracy loss, slow training runtime, or difficulty in sparsifying all model components. The core problem is that searching for a sparsity mask over a discrete set of sparse matrices is difficult and expensive. To address this, our main insight is to optimize over a continuous superset of sparse matrices with a fixed structure known as products of butterfly matrices. As butterfly matrices are not hardware efficient, we propose simple variants of butterfly (block and flat) to take advantage of modern hardware. Our method (Pixelated Butterfly) uses a simple fixed sparsity pattern based on flat block butterfly and low-rank matrices to sparsify most network layers (e.g., attention, MLP). We empirically validate that Pixelated Butterfly is 3x faster than butterfly and speeds up training to achieve favorable accuracy--efficiency tradeoffs. On the ImageNet classification and WikiText-103 language modeling tasks, our sparse models train up to 2.5x faster than the dense MLP-Mixer, Vision Transformer, and GPT-2 medium with no drop in accuracy.

Probabilistic circuits (PCs) are a tractable representation of probability distributions allowing for exact and efficient computation of likelihoods and marginals. There has been significant recent progress on improving the scale and expressiveness of PCs. However, PC training performance plateaus as model size increases. We discover that most capacity in existing large PC structures is wasted: fully-connected parameter layers are only sparsely used. We propose two operations: pruning and growing, that exploit the sparsity of PC structures. Specifically, the pruning operation removes unimportant sub-networks of the PC for model compression and comes with theoretical guarantees. The growing operation increases model capacity by increasing the size of the latent space. By alternatingly applying pruning and growing, we increase the capacity that is meaningfully used, allowing us to significantly scale up PC learning. Empirically, our learner achieves state-of-the-art likelihoods on MNIST-family image datasets and on Penn Tree Bank language data compared to other PC learners and less tractable deep generative models such as flow-based models and variational autoencoders (VAEs).

Model merging has emerged as a promising approach for multi-task learning (MTL), offering a data-efficient alternative to conventional fine-tuning. However, with the rapid development of the open-source AI ecosystem and the increasing availability of fine-tuned foundation models, existing model merging methods face two key limitations: (i) They are primarily designed for in-house fine-tuned models, making them less adaptable to diverse model sources with partially unknown model and task information, (ii) They struggle to scale effectively when merging numerous model checkpoints. To address these challenges, we formulate model merging as a constrained optimization problem and introduce a novel approach: Frank-Wolfe Merging (FW-Merging). Inspired by Frank-Wolfe optimization, our approach iteratively selects the most relevant model in the pool to minimize a linear approximation of the objective function and then executes a local merging similar to the Frank-Wolfe update. The objective function is designed to capture the desired behavior of the target-merged model, while the fine-tuned candidate models define the constraint set. More importantly, FW-Merging serves as an orthogonal technique for existing merging methods, seamlessly integrating with them to further enhance accuracy performance. Our experiments show that FW-Merging scales across diverse model sources, remaining stable with 16 irrelevant models and improving by 15.3% with 16 relevant models on 20 CV tasks, while maintaining constant memory overhead, unlike the linear overhead of data-informed merging methods. Compared with the state-of-the-art approaches, FW-Merging surpasses the data-free merging method by 32.8% and outperforms the data-informed Adamerging by 8.39% when merging 20 ViT models. Our code is open-sourced at github.com/hmarkc/FW-Merging.

Over the past few years, due to the rapid development of machine learning (ML) models for weather forecasting, state-of-the-art ML models have shown superior performance compared to the European Centre for Medium-Range Weather Forecasts (ECMWF)'s high-resolution forecast (HRES) in 10-day forecasts at a spatial resolution of 0.25 degree. However, the challenge remains to perform comparably to the ECMWF ensemble mean (EM) in 15-day forecasts. Previous studies have demonstrated the importance of mitigating the accumulation of forecast errors for effective long-term forecasts. Despite numerous efforts to reduce accumulation errors, including autoregressive multi-time step loss, using a single model is found to be insufficient to achieve optimal performance in both short and long lead times. Therefore, we present FuXi, a cascaded ML weather forecasting system that provides 15-day global forecasts with a temporal resolution of 6 hours and a spatial resolution of 0.25 degree. FuXi is developed using 39 years of the ECMWF ERA5 reanalysis dataset. The performance evaluation, based on latitude-weighted root mean square error (RMSE) and anomaly correlation coefficient (ACC), demonstrates that FuXi has comparable forecast performance to ECMWF EM in 15-day forecasts, making FuXi the first ML-based weather forecasting system to accomplish this achievement.

Fast approximations to matrix multiplication have the potential to dramatically reduce the cost of neural network inference. Recent work on approximate matrix multiplication proposed to replace costly multiplications with table-lookups by fitting a fast hash function from training data. In this work, we propose improvements to this previous work, targeted to the deep learning inference setting, where one has access to both training data and fixed (already learned) model weight matrices. We further propose a fine-tuning procedure for accelerating entire neural networks while minimizing loss in accuracy. Finally, we analyze the proposed method on a simple image classification task. While we show improvements to prior work, overall classification accuracy remains substantially diminished compared to exact matrix multiplication. Our work, despite this negative result, points the way towards future efforts to accelerate inner products with fast nonlinear hashing methods.

A key property of deep neural networks (DNNs) is their ability to learn new features during training. This intriguing aspect of deep learning stands out most clearly in recently reported Grokking phenomena. While mainly reflected as a sudden increase in test accuracy, Grokking is also believed to be a beyond lazy-learning/Gaussian Process (GP) phenomenon involving feature learning. Here we apply a recent development in the theory of feature learning, the adaptive kernel approach, to two teacher-student models with cubic-polynomial and modular addition teachers. We provide analytical predictions on feature learning and Grokking properties of these models and demonstrate a mapping between Grokking and the theory of phase transitions. We show that after Grokking, the state of the DNN is analogous to the mixed phase following a first-order phase transition. In this mixed phase, the DNN generates useful internal representations of the teacher that are sharply distinct from those before the transition.

The high computational costs of large language models (LLMs) have led to a flurry of research on LLM compression, via methods such as quantization, sparsification, or structured pruning. A new frontier in this area is given by dynamic, non-uniform compression methods, which adjust the compression levels (e.g., sparsity) per-block or even per-layer in order to minimize accuracy loss, while guaranteeing a global compression threshold. Yet, current methods rely on heuristics for identifying the "importance" of a given layer towards the loss, based on assumptions such as error monotonicity, i.e. that the end-to-end model compression error is proportional to the sum of layer-wise errors. In this paper, we revisit this area, and propose a new and general approach for dynamic compression that is provably optimal in a given input range. We begin from the motivating observation that, in general, error monotonicity does not hold for LLMs: compressed models with lower sum of per-layer errors can perform worse than models with higher error sums. To address this, we propose a new general evolutionary framework for dynamic LLM compression called EvoPress, which has provable convergence, and low sample and evaluation complexity. We show that these theoretical guarantees lead to highly competitive practical performance for dynamic compression of Llama, Mistral and Phi models. Via EvoPress, we set new state-of-the-art results across all compression approaches: structural pruning (block/layer dropping), unstructured sparsity, as well as quantization with dynamic bitwidths. Our code is available at https://github.com/IST-DASLab/EvoPress.

With the rapid deployment of SCADA systems, how to effectively analyze industrial signals and detect abnormal states is an urgent need for the industry. Due to the significant heterogeneity of these signals, which we summarize as the M5 problem, previous works only focus on small sub-problems and employ specialized models, failing to utilize the synergies between modalities and the powerful scaling law. However, we argue that the M5 signals can be modeled in a unified manner due to the intrinsic similarity. As a result, we propose FISHER, a Foundation model for multi-modal Industrial Signal compreHEnsive Representation. To support arbitrary sampling rates, FISHER considers the increment of sampling rate as the concatenation of sub-band information. Specifically, FISHER takes the STFT sub-band as the modeling unit and adopts a teacher student SSL framework for pre-training. We also develop the RMIS benchmark, which evaluates the representations of M5 industrial signals on multiple health management tasks. Compared with top SSL models, FISHER showcases versatile and outstanding capabilities with a general performance gain up to 5.03%, along with much more efficient scaling curves. We also investigate the scaling law on downstream tasks and derive potential avenues for future works. FISHER is now open-sourced on https://github.com/jianganbai/FISHER

Large language models (LLMs) deliver impressive performance but incur prohibitive memory and compute costs at deployment. Model pruning is an effective way to reduce these overheads, yet existing approaches face challenges: unstructured sparsity, where nonzeros can appear anywhere, preserves accuracy but yields irregular access patterns that prevent GPU acceleration, while semi-structured 2:4 sparsity is hardware-friendly but enforces a rigid 50% pattern that degrades model quality. To bridge this gap, we introduce PATCH, a hybrid sparsity framework that enables a continuous sparsity ratio between 0% and 50%. PATCH partitions weight matrices into tiles, assigning each tile to be either dense or 2:4 sparse via a learnable mask selection mechanism. This design provides fine-grained control over accuracy-acceleration tradeoffs and supports non-uniform sparsity across layers, leading to superior overall quality. Across models from 0.5B to 8B parameters, PATCH consistently narrows the gap to dense accuracy while delivering practical speedups. For instance, on LLaMA-2 7B with an A6000 GPU, PATCH achieves 1.18x-1.38x end-to-end speedup over dense baselines while improving accuracy by 0.37%-2.96% compared to the state-of-the-art 2:4 pruning method, MaskLLM.

The recent surge in Time Series Foundation Models has rapidly advanced the field, yet the heterogeneous training setups across studies make it difficult to attribute improvements to architectural innovations versus data engineering. In this work, we investigate the potential of a standard patch Transformer, demonstrating that this generic architecture achieves state-of-the-art zero-shot forecasting performance using a straightforward training protocol. We conduct a comprehensive ablation study that covers model scaling, data composition, and training techniques to isolate the essential ingredients for high performance. Our findings identify the key drivers of performance, while confirming that the generic architecture itself demonstrates excellent scalability. By strictly controlling these variables, we provide comprehensive empirical results on model scaling across multiple dimensions. We release our open-source model and detailed findings to establish a transparent, reproducible baseline for future research.

In Retrieval-Augmented Generation (RAG) and agent-based frameworks, the "Chain of Models" approach is widely used, where multiple specialized models work sequentially on distinct sub-tasks. This approach is effective but increases resource demands as each model must be deployed separately. Recent advancements attempt to address this by applying prompt tuning, which allows a shared base model to adapt to multiple tasks with minimal parameter changes. However, a key challenge remains: intermediate outputs, passed between models as plain text, require recomputation of hidden states (i.e., Key and Value (KV) states in Transformers) during inference. In this paper, we introduce FTHSS, a novel prompt-tuning method that enables models to share KV hidden states, eliminating redundant forward passes and reducing KV cache storage. By modifying input and attention masks during training, FTHSS allows models to effectively utilize KV hidden states from prior models in both single- and multi-round scenarios. Empirical results on four tasks show that FTHSS matches the performance of traditional model chains while improving inference efficiency.

Inspired by Regularized Lottery Ticket Hypothesis (RLTH), which hypothesizes that there exist smooth (non-binary) subnetworks within a dense network that achieve the competitive performance of the dense network, we propose a few-shot class incremental learning (FSCIL) method referred to as Soft-SubNetworks (SoftNet). Our objective is to learn a sequence of sessions incrementally, where each session only includes a few training instances per class while preserving the knowledge of the previously learned ones. SoftNet jointly learns the model weights and adaptive non-binary soft masks at a base training session in which each mask consists of the major and minor subnetwork; the former aims to minimize catastrophic forgetting during training, and the latter aims to avoid overfitting to a few samples in each new training session. We provide comprehensive empirical validations demonstrating that our SoftNet effectively tackles the few-shot incremental learning problem by surpassing the performance of state-of-the-art baselines over benchmark datasets.

Large language models (LLMs) often produce inaccurate or misleading content-hallucinations. To address this challenge, we introduce Noise-Augmented Fine-Tuning (NoiseFiT), a novel framework that leverages adaptive noise injection based on the signal-to-noise ratio (SNR) to enhance model robustness. In particular, NoiseFiT selectively perturbs layers identified as either high-SNR (more robust) or low-SNR (potentially under-regularized) using a dynamically scaled Gaussian noise. We further propose a hybrid loss that combines standard cross-entropy, soft cross-entropy, and consistency regularization to ensure stable and accurate outputs under noisy training conditions. Our theoretical analysis shows that adaptive noise injection is both unbiased and variance-preserving, providing strong guarantees for convergence in expectation. Empirical results on multiple test and benchmark datasets demonstrate that NoiseFiT significantly reduces hallucination rates, often improving or matching baseline performance in key tasks. These findings highlight the promise of noise-driven strategies for achieving robust, trustworthy language modeling without incurring prohibitive computational overhead. Given the comprehensive and detailed nature of our experiments, we have publicly released the fine-tuning logs, benchmark evaluation artifacts, and source code online at W&B, Hugging Face, and GitHub, respectively, to foster further research, accessibility and reproducibility.

Although Kolmogorov-Arnold based interpretable networks (KAN) have strong theoretical expressiveness, they face significant parameter explosion and high-frequency feature capture challenges in high-dimensional tasks. To address this issue, we propose the Kolmogorov-Arnold-Fourier Network (KAF), which effectively integrates trainable Random Fourier Features (RFF) and a novel hybrid GELU-Fourier activation mechanism to balance parameter efficiency and spectral representation capabilities. Our key technical contributions include: (1) merging KAN's dual-matrix structure through matrix association properties to substantially reduce parameters; (2) introducing learnable RFF initialization strategies to eliminate spectral distortion in high-dimensional approximation tasks; (3) implementing an adaptive hybrid activation function that progressively enhances frequency representation during the training process. Comprehensive experiments demonstrate the superiority of our KAF across various domains including vision, NLP, audio processing, and differential equation-solving tasks, effectively combining theoretical interpretability with practical utility and computational efficiency.

Applying a pre-trained large model to downstream tasks is prohibitive under resource-constrained conditions. Recent dominant approaches for addressing efficiency issues involve adding a few learnable parameters to the fixed backbone model. This strategy, however, leads to more challenges in loading large models for downstream fine-tuning with limited resources. In this paper, we propose a novel method for increasing the parameter efficiency of pre-trained models by introducing an intermediate pre-training stage. To this end, we first employ low-rank approximation to compress the original large model and then devise a feature distillation module and a weight perturbation regularization module. These modules are specifically designed to enhance the low-rank model. In particular, we update only the low-rank model while freezing the backbone parameters during pre-training. This allows for direct and efficient utilization of the low-rank model for downstream fine-tuning tasks. The proposed method achieves both efficiencies in terms of required parameters and computation time while maintaining comparable results with minimal modifications to the backbone architecture. Specifically, when applied to three vision-only and one vision-language Transformer models, our approach often demonstrates a merely sim0.6 point decrease in performance while reducing the original parameter size by 1/3 to 2/3.

Large language model inference is both memory-intensive and time-consuming, often requiring distributed algorithms to efficiently scale. Various model parallelism strategies are used in multi-gpu training and inference to partition computation across multiple devices, reducing memory load and computation time. However, using model parallelism necessitates communication of information between GPUs, which has been a major bottleneck and limits the gains obtained by scaling up the number of devices. We introduce Ladder Residual, a simple architectural modification applicable to all residual-based models that enables straightforward overlapping that effectively hides the latency of communication. Our insight is that in addition to systems optimization, one can also redesign the model architecture to decouple communication from computation. While Ladder Residual can allow communication-computation decoupling in conventional parallelism patterns, we focus on Tensor Parallelism in this paper, which is particularly bottlenecked by its heavy communication. For a Transformer model with 70B parameters, applying Ladder Residual to all its layers can achieve 30% end-to-end wall clock speed up at inference time with TP sharding over 8 devices. We refer the resulting Transformer model as the Ladder Transformer. We train a 1B and 3B Ladder Transformer from scratch and observe comparable performance to a standard dense transformer baseline. We also show that it is possible to convert parts of the Llama-3.1 8B model to our Ladder Residual architecture with minimal accuracy degradation by only retraining for 3B tokens.

We study the class of location-scale or heteroscedastic noise models (LSNMs), in which the effect Y can be written as a function of the cause X and a noise source N independent of X, which may be scaled by a positive function g over the cause, i.e., Y = f(X) + g(X)N. Despite the generality of the model class, we show the causal direction is identifiable up to some pathological cases. To empirically validate these theoretical findings, we propose two estimators for LSNMs: an estimator based on (non-linear) feature maps, and one based on neural networks. Both model the conditional distribution of Y given X as a Gaussian parameterized by its natural parameters. When the feature maps are correctly specified, we prove that our estimator is jointly concave, and a consistent estimator for the cause-effect identification task. Although the the neural network does not inherit those guarantees, it can fit functions of arbitrary complexity, and reaches state-of-the-art performance across benchmarks.

The rapid development of AI systems has been greatly influenced by the emergence of foundation models. A common approach for targeted problems involves fine-tuning these pre-trained foundation models for specific target tasks, resulting in a rapid spread of models fine-tuned across a diverse array of tasks. This work focuses on the problem of merging multiple fine-tunings of the same foundation model derived from a spectrum of auxiliary tasks. We introduce a new simple method, Model Breadcrumbs, which consists of a sparsely defined set of weights that carve out a trajectory within the weight space of a pre-trained model, enhancing task performance when traversed. These breadcrumbs are constructed by subtracting the weights from a pre-trained model before and after fine-tuning, followed by a sparsification process that eliminates weight outliers and negligible perturbations. Our experiments demonstrate the effectiveness of Model Breadcrumbs to simultaneously improve performance across multiple tasks. This contribution aligns with the evolving paradigm of updatable machine learning, reminiscent of the collaborative principles underlying open-source software development, fostering a community-driven effort to reliably update machine learning models. Our method is shown to be more efficient and unlike previous proposals does not require hyperparameter tuning for each new task added. Through extensive experimentation involving various models, tasks, and modalities we establish that integrating Model Breadcrumbs offers a simple, efficient, and highly effective approach for constructing multi-task models and facilitating updates to foundation models.

Implicit-depth neural networks have grown as powerful alternatives to traditional networks in various applications in recent years. However, these models often lack guarantees of existence and uniqueness, raising stability, performance, and reproducibility issues. In this paper, we present a new analysis of the existence and uniqueness of fixed points for implicit-depth neural networks based on the concept of subhomogeneous operators and the nonlinear Perron-Frobenius theory. Compared to previous similar analyses, our theory allows for weaker assumptions on the parameter matrices, thus yielding a more flexible framework for well-defined implicit networks. We illustrate the performance of the resulting subhomogeneous networks on feedforward, convolutional, and graph neural network examples.

Generative models have made significant impacts across various domains, largely due to their ability to scale during training by increasing data, computational resources, and model size, a phenomenon characterized by the scaling laws. Recent research has begun to explore inference-time scaling behavior in Large Language Models (LLMs), revealing how performance can further improve with additional computation during inference. Unlike LLMs, diffusion models inherently possess the flexibility to adjust inference-time computation via the number of denoising steps, although the performance gains typically flatten after a few dozen. In this work, we explore the inference-time scaling behavior of diffusion models beyond increasing denoising steps and investigate how the generation performance can further improve with increased computation. Specifically, we consider a search problem aimed at identifying better noises for the diffusion sampling process. We structure the design space along two axes: the verifiers used to provide feedback, and the algorithms used to find better noise candidates. Through extensive experiments on class-conditioned and text-conditioned image generation benchmarks, our findings reveal that increasing inference-time compute leads to substantial improvements in the quality of samples generated by diffusion models, and with the complicated nature of images, combinations of the components in the framework can be specifically chosen to conform with different application scenario.

State-of-the-art results in large language models (LLMs) often rely on scale, which becomes computationally expensive. This has sparked a research agenda to reduce these models' parameter counts and computational costs without significantly impacting their performance. Our study focuses on transformer-based LLMs, specifically targeting the computationally intensive feedforward networks (FFNs), which are less studied than attention blocks. We consider three structured linear parameterizations of the FFN using efficient low-rank and block-diagonal matrices. In contrast to many previous works that examined these approximations, our study i) explores these structures from a training-from-scratch perspective, ii) scales up to 1.3B parameters, and iii) is conducted within recent Transformer-based LLMs rather than convolutional architectures. We demonstrate that these structures can lead to actual computational gains in various scenarios, including online decoding when using a pre-merge technique. Additionally, we propose a novel training regime, called self-guided training, aimed at improving the poor training dynamics that these approximations exhibit when used from initialization. Interestingly, the scaling performance of structured matrices is explored, revealing steeper curves in scaling training FLOPs, along with a favorable scaling trend in the overtraining regime. Specifically, we show that wide and structured networks can utilize training FLOPs more efficiently, with fewer parameters and lower loss than dense models at their optimal trade-off. Our code is available at https://github.com/CLAIRE-Labo/StructuredFFN/tree/main.

Yes. In this paper, we investigate strong lottery tickets in generative models, the subnetworks that achieve good generative performance without any weight update. Neural network pruning is considered the main cornerstone of model compression for reducing the costs of computation and memory. Unfortunately, pruning a generative model has not been extensively explored, and all existing pruning algorithms suffer from excessive weight-training costs, performance degradation, limited generalizability, or complicated training. To address these problems, we propose to find a strong lottery ticket via moment-matching scores. Our experimental results show that the discovered subnetwork can perform similarly or better than the trained dense model even when only 10% of the weights remain. To the best of our knowledge, we are the first to show the existence of strong lottery tickets in generative models and provide an algorithm to find it stably. Our code and supplementary materials are publicly available.

Deep Boltzmann machines (DBMs), one of the first ``deep'' learning methods ever studied, are multi-layered probabilistic models governed by a pairwise energy function that describes the likelihood of all variables/nodes in the network. In practice, DBMs are often constrained, i.e., via the restricted Boltzmann machine (RBM) architecture (which does not permit intra-layer connections), in order to allow for more efficient inference. In this work, we revisit the generic DBM approach, and ask the question: are there other possible restrictions to their design that would enable efficient (approximate) inference? In particular, we develop a new class of restricted model, the monotone DBM, which allows for arbitrary self-connection in each layer, but restricts the weights in a manner that guarantees the existence and global uniqueness of a mean-field fixed point. To do this, we leverage tools from the recently-proposed monotone Deep Equilibrium model and show that a particular choice of activation results in a fixed-point iteration that gives a variational mean-field solution. While this approach is still largely conceptual, it is the first architecture that allows for efficient approximate inference in fully-general weight structures for DBMs. We apply this approach to simple deep convolutional Boltzmann architectures and demonstrate that it allows for tasks such as the joint completion and classification of images, within a single deep probabilistic setting, while avoiding the pitfalls of mean-field inference in traditional RBMs.

In this paper we explore the possibility of maximizing the information represented in spectrograms by making the spectrogram basis functions trainable. We experiment with two different tasks, namely keyword spotting (KWS) and automatic speech recognition (ASR). For most neural network models, the architecture and hyperparameters are typically fine-tuned and optimized in experiments. Input features, however, are often treated as fixed. In the case of audio, signals can be mainly expressed in two main ways: raw waveforms (time-domain) or spectrograms (time-frequency-domain). In addition, different spectrogram types are often used and tailored to fit different applications. In our experiments, we allow for this tailoring directly as part of the network. Our experimental results show that using trainable basis functions can boost the accuracy of Keyword Spotting (KWS) by 14.2 percentage points, and lower the Phone Error Rate (PER) by 9.5 percentage points. Although models using trainable basis functions become less effective as the model complexity increases, the trained filter shapes could still provide us with insights on which frequency bins are important for that specific task. From our experiments, we can conclude that trainable basis functions are a useful tool to boost the performance when the model complexity is limited.

This work proposes a Momentum-Enabled Kronecker-Factor-Based Optimizer Using Rank-1 updates, called MKOR, that improves the training time and convergence properties of deep neural networks (DNNs). Second-order techniques, while enjoying higher convergence rates vs first-order counterparts, have cubic complexity with respect to either the model size and/or the training batch size. Hence they exhibit poor scalability and performance in transformer models, e.g. large language models (LLMs), because the batch sizes in these models scale by the attention mechanism sequence length, leading to large model size and batch sizes. MKOR's complexity is quadratic with respect to the model size, alleviating the computation bottlenecks in second-order methods. Because of their high computation complexity, state-of-the-art implementations of second-order methods can only afford to update the second order information infrequently, and thus do not fully exploit the promise of better convergence from these updates. By reducing the communication complexity of the second-order updates as well as achieving a linear communication complexity, MKOR increases the frequency of second order updates. We also propose a hybrid version of MKOR (called MKOR-H) that mid-training falls backs to a first order optimizer if the second order updates no longer accelerate convergence. Our experiments show that MKOR outperforms state -of-the-art first order methods, e.g. the LAMB optimizer, and best implementations of second-order methods, i.e. KAISA/KFAC, up to 2.57x and 1.85x respectively on BERT-Large-Uncased on 64 GPUs.

We investigate statistical properties of a likelihood approach to nonparametric estimation of a singular distribution using deep generative models. More specifically, a deep generative model is used to model high-dimensional data that are assumed to concentrate around some low-dimensional structure. Estimating the distribution supported on this low-dimensional structure, such as a low-dimensional manifold, is challenging due to its singularity with respect to the Lebesgue measure in the ambient space. In the considered model, a usual likelihood approach can fail to estimate the target distribution consistently due to the singularity. We prove that a novel and effective solution exists by perturbing the data with an instance noise, which leads to consistent estimation of the underlying distribution with desirable convergence rates. We also characterize the class of distributions that can be efficiently estimated via deep generative models. This class is sufficiently general to contain various structured distributions such as product distributions, classically smooth distributions and distributions supported on a low-dimensional manifold. Our analysis provides some insights on how deep generative models can avoid the curse of dimensionality for nonparametric distribution estimation. We conduct a thorough simulation study and real data analysis to empirically demonstrate that the proposed data perturbation technique improves the estimation performance significantly.

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.

As revealed by the scaling law of fine-grained MoE, model performance ceases to be improved once the granularity of the intermediate dimension exceeds the optimal threshold, limiting further gains from single-dimension fine-grained design. To address this bottleneck, we propose FineRMoE (FineR-Grained MoE), an architecture that extends fine-grained expert design to both intermediate and output dimensions, aiming to enhance expert specialization beyond the single-dimension limit. We further introduce a bi-level sparse forward computation paradigm and a specialized routing mechanism to govern the activation. In addition, to obviate the prohibitive cost of training FineRMoE from scratch, we devise a generalized upcycling method to build FineRMoE in a cost-effective manner. Extensive experiments demonstrate the superior performance achieved by FineRMoE across ten standard benchmarks. Compared with the strongest baseline, FineRMoE achieves 6 times higher parameter efficiency, 281 times lower prefill latency, and 136 timese higher decoding throughput during inference.

Reservoir computing offers a lightweight framework for forecasting dynamical systems but may struggle to capture long-range dependencies due to limited representational capacity. Conventional reservoir computing recurrently uses trainable reservoirs with hyperparameter sensitivity, while the next-generation reservoir computing removes recurrence at the cost of rapidly growing feature dimensions. Here, we develop Kolmogorov-Arnold Reservoir Computing (KARC), which replaces reservoirs with explicit basis-function expansions inspired by the Kolmogorov-Arnold representation theorem. We rigorously show that KARC is a lightweight design of Kolmogorov-Arnold networks (KANs), preserving the potential expressive capacity of KANs while admitting efficient closed-form training of reservoir computing. At comparable cost, KARC outperforms existing reservoir computing methods on challenging benchmarks including partial differential equations. It can also be integrated with generative diffusion models for text-to-image generation. This work thus establishes a principled bridge between reservoir computing and KANs, enabling efficient and high-fidelity dynamical system forecasting.

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

Loss of plasticity is a phenomenon where neural networks become more difficult to train during the course of learning. Continual learning algorithms seek to mitigate this effect by sustaining good predictive performance while maintaining network trainability. We develop new techniques for improving continual learning by first reconsidering how initialization can ensure trainability during early phases of learning. From this perspective, we derive new regularization strategies for continual learning that ensure beneficial initialization properties are better maintained throughout training. In particular, we investigate two new regularization techniques for continual learning: (i) Wasserstein regularization toward the initial weight distribution, which is less restrictive than regularizing toward initial weights; and (ii) regularizing weight matrix singular values, which directly ensures gradient diversity is maintained throughout training. We present an experimental analysis that shows these alternative regularizers can improve continual learning performance across a range of supervised learning tasks and model architectures. The alternative regularizers prove to be less sensitive to hyperparameters while demonstrating better training in individual tasks, sustaining trainability as new tasks arrive, and achieving better generalization performance.

Hybrid model architectures that combine computational primitives (e.g., Attention, MLP) in different ratios have shown promising performance beyond Transformers. Some studies have shown that different interleavings of primitives can affect model quality as well. However, prior works explore the hybrid model architecture design space manually. Due to the large design space and training costs, discovering hybrid models that combine key computational primitives for pre-training is challenging. In this work, we take a principled approach in designing a modular hybrid model architecture search framework -- Composer. Composer explores model architectures at a small scale and extrapolates the top-performing model architectures to a larger scale using our proposed scaling strategies. Using Composer, we discover new hybrid LLM architectures that outperform Llama 3.2. Compared to Llama 3.2 and previous state-of-the-art baselines, the new model architectures consistently reduce validation loss at parameter scales of 350M-3B and improve evaluation accuracy on the downstream tasks by up to 2.8-8.3% (1.1-3.1% on average) while improving both training and inference efficiency.

Massive activations are scalar values in transformer hidden states that achieve values orders of magnitude larger than typical activations and have been shown to be critical for model functionality. While prior work has characterized these phenomena in fully trained models, the temporal dynamics of their emergence during training remain poorly understood. We present the first comprehensive analysis of massive activation development throughout transformer training, using the Pythia model family as our testbed. Through systematic analysis of various model sizes across multiple training checkpoints, we demonstrate that massive activation emergence follows predictable mathematical patterns that can be accurately modeled using an exponentially-modulated logarithmic function with five key parameters. We develop a machine learning framework to predict these mathematical parameters from architectural specifications alone, achieving high accuracy for steady-state behavior and moderate accuracy for emergence timing and magnitude. These findings enable architects to predict and potentially control key aspects of massive activation emergence through design choices, with significant implications for model stability, training cycle length, interpretability, and optimization. Our findings demonstrate that the emergence of massive activations is governed by model design and can be anticipated, and potentially controlled, before training begins.

Three key properties that are desired of trustworthy machine learning models deployed in high-stakes environments are fairness, explainability, and an ability to account for various kinds of "drift". While drifts in model accuracy, for example due to covariate shift, have been widely investigated, drifts in fairness metrics over time remain largely unexplored. In this paper, we propose FEAMOE, a novel "mixture-of-experts" inspired framework aimed at learning fairer, more explainable/interpretable models that can also rapidly adjust to drifts in both the accuracy and the fairness of a classifier. We illustrate our framework for three popular fairness measures and demonstrate how drift can be handled with respect to these fairness constraints. Experiments on multiple datasets show that our framework as applied to a mixture of linear experts is able to perform comparably to neural networks in terms of accuracy while producing fairer models. We then use the large-scale HMDA dataset and show that while various models trained on HMDA demonstrate drift with respect to both accuracy and fairness, FEAMOE can ably handle these drifts with respect to all the considered fairness measures and maintain model accuracy as well. We also prove that the proposed framework allows for producing fast Shapley value explanations, which makes computationally efficient feature attribution based explanations of model decisions readily available via FEAMOE.

Time series foundation models have demonstrated impressive performance as zero-shot forecasters. However, achieving effectively unified training on time series remains an open challenge. Existing approaches introduce some level of model specialization to account for the highly heterogeneous nature of time series data. For instance, Moirai pursues unified training by employing multiple input/output projection layers, each tailored to handle time series at a specific frequency. Similarly, TimesFM maintains a frequency embedding dictionary for this purpose. We identify two major drawbacks to this human-imposed frequency-level model specialization: (1) Frequency is not a reliable indicator of the underlying patterns in time series. For example, time series with different frequencies can display similar patterns, while those with the same frequency may exhibit varied patterns. (2) Non-stationarity is an inherent property of real-world time series, leading to varied distributions even within a short context window of a single time series. Frequency-level specialization is too coarse-grained to capture this level of diversity. To address these limitations, this paper introduces Moirai-MoE, using a single input/output projection layer while delegating the modeling of diverse time series patterns to the sparse mixture of experts (MoE) within Transformers. With these designs, Moirai-MoE reduces reliance on human-defined heuristics and enables automatic token-level specialization. Extensive experiments on 39 datasets demonstrate the superiority of Moirai-MoE over existing foundation models in both in-distribution and zero-shot scenarios. Furthermore, this study conducts comprehensive model analyses to explore the inner workings of time series MoE foundation models and provides valuable insights for future research.

Despite extensive studies, the underlying reason as to why overparameterized neural networks can generalize remains elusive. Existing theory shows that common stochastic optimizers prefer flatter minimizers of the training loss, and thus a natural potential explanation is that flatness implies generalization. This work critically examines this explanation. Through theoretical and empirical investigation, we identify the following three scenarios for two-layer ReLU networks: (1) flatness provably implies generalization; (2) there exist non-generalizing flattest models and sharpness minimization algorithms fail to generalize, and (3) perhaps most surprisingly, there exist non-generalizing flattest models, but sharpness minimization algorithms still generalize. Our results suggest that the relationship between sharpness and generalization subtly depends on the data distributions and the model architectures and sharpness minimization algorithms do not only minimize sharpness to achieve better generalization. This calls for the search for other explanations for the generalization of over-parameterized neural networks.

Zeroth-Order (ZO) optimization has emerged as a promising solution for fine-tuning LLMs under strict memory constraints, as it avoids the prohibitive memory cost of storing activations for backpropagation. However, existing ZO methods typically employ isotropic perturbations, neglecting the rich structural information available during the forward pass. In this paper, we identify a crucial link between gradient formation and activation structure: the gradient of a linear layer is confined to the subspace spanned by its input activations. Leveraging this insight, we propose Activation-Guided Zeroth-Order optimization (AGZO). Unlike prior methods, AGZO extracts a compact, activation-informed subspace on the fly during the forward pass and restricts perturbations to this low-rank subspace. We provide a theoretical framework showing that AGZO optimizes a subspace-smoothed objective and provably yields update directions with higher cosine similarity to the true gradient than isotropic baselines. Empirically, we evaluate AGZO on Qwen3 and Pangu models across various benchmarks. AGZO consistently outperforms state-of-the-art ZO baselines and significantly narrows the performance gap with first-order fine-tuning, while maintaining almost the same peak memory footprint as other ZO methods.

AdamW has long been the dominant optimizer in language model pretraining, despite numerous claims that alternative optimizers offer 1.4 to 2x speedup. We posit that two methodological shortcomings have obscured fair comparisons and hindered practical adoption: (i) unequal hyperparameter tuning and (ii) limited or misleading evaluation setups. To address these two issues, we conduct a systematic study of ten deep learning optimizers across four model scales (0.1B-1.2B parameters) and data-to-model ratios (1-8x the Chinchilla optimum). We find that fair and informative comparisons require rigorous hyperparameter tuning and evaluations across a range of model scales and data-to-model ratios, performed at the end of training. First, optimal hyperparameters for one optimizer may be suboptimal for another, making blind hyperparameter transfer unfair. Second, the actual speedup of many proposed optimizers over well-tuned baselines is lower than claimed and decreases with model size to only 1.1x for 1.2B parameter models. Thirdly, comparing intermediate checkpoints before reaching the target training budgets can be misleading, as rankings between two optimizers can flip during training due to learning rate decay. Through our thorough investigation, we find that all the fastest optimizers such as Muon and Soap, use matrices as preconditioners -- multiplying gradients with matrices rather than entry-wise scalars. However, the speedup of matrix-based optimizers is inversely proportional to model scale, decreasing from 1.4x over AdamW for 0.1B parameter models to merely 1.1x for 1.2B parameter models.

Large language models (LLMs) have shown remarkable capabilities in language understanding and generation. However, such impressive capability typically comes with a substantial model size, which presents significant challenges in deployment and inference. While structured pruning of model parameters offers a promising way to reduce computational costs at deployment time, current methods primarily focus on single model pruning. In this work, we develop a novel strategy to compress models by strategically combining or merging layers from finetuned model variants, which preserves the original model's abilities by aggregating capabilities accentuated in different finetunes. We pose the optimal tailoring of these LLMs as a zero-order optimization problem, adopting a search space that supports three different operations: (1) Layer removal, (2) Layer selection from different candidate models, and (3) Layer merging. Our experiments demonstrate that this approach leads to competitive model pruning, for example, for the Llama2-13B model families, our compressed models maintain approximately 97.3\% of the original performance while removing sim25% of parameters, significantly outperforming previous state-of-the-art methods. The code is available at https://github.com/Guinan-Su/auto-merge-llm.

Recent studies of gradient descent with large step sizes have shown that there is often a regime with an initial increase in the largest eigenvalue of the loss Hessian (progressive sharpening), followed by a stabilization of the eigenvalue near the maximum value which allows convergence (edge of stability). These phenomena are intrinsically non-linear and do not happen for models in the constant Neural Tangent Kernel (NTK) regime, for which the predictive function is approximately linear in the parameters. As such, we consider the next simplest class of predictive models, namely those that are quadratic in the parameters, which we call second-order regression models. For quadratic objectives in two dimensions, we prove that this second-order regression model exhibits progressive sharpening of the NTK eigenvalue towards a value that differs slightly from the edge of stability, which we explicitly compute. In higher dimensions, the model generically shows similar behavior, even without the specific structure of a neural network, suggesting that progressive sharpening and edge-of-stability behavior aren't unique features of neural networks, and could be a more general property of discrete learning algorithms in high-dimensional non-linear models.

One puzzling artifact in machine learning dubbed grokking is where delayed generalization is achieved tenfolds of iterations after near perfect overfitting to the training data. Focusing on the long delay itself on behalf of machine learning practitioners, our goal is to accelerate generalization of a model under grokking phenomenon. By regarding a series of gradients of a parameter over training iterations as a random signal over time, we can spectrally decompose the parameter trajectories under gradient descent into two components: the fast-varying, overfitting-yielding component and the slow-varying, generalization-inducing component. This analysis allows us to accelerate the grokking phenomenon more than times 50 with only a few lines of code that amplifies the slow-varying components of gradients. The experiments show that our algorithm applies to diverse tasks involving images, languages, and graphs, enabling practical availability of this peculiar artifact of sudden generalization. Our code is available at https://github.com/ironjr/grokfast.

Modern LLMs are increasingly deep, and depth correlates with performance, albeit with diminishing returns. However, do these models use their depth efficiently? Do they compose more features to create higher-order computations that are impossible in shallow models, or do they merely spread the same kinds of computation out over more layers? To address these questions, we analyze the residual stream of the Llama 3.1 and Qwen 3 family of models. We find: First, comparing the output of the sublayers to the residual stream reveals that layers in the second half contribute much less than those in the first half, with a clear phase transition between the two halves. Second, skipping layers in the second half has a much smaller effect on future computations and output predictions. Third, for multihop tasks, we are unable to find evidence that models are using increased depth to compose subresults in examples involving many hops. Fourth, we seek to directly address whether deeper models are using their additional layers to perform new kinds of computation. To do this, we train linear maps from the residual stream of a shallow model to a deeper one. We find that layers with the same relative depth map best to each other, suggesting that the larger model simply spreads the same computations out over its many layers. All this evidence suggests that deeper models are not using their depth to learn new kinds of computation, but only using the greater depth to perform more fine-grained adjustments to the residual. This may help explain why increasing scale leads to diminishing returns for stacked Transformer architectures.

We study the SAM (Sharpness-Aware Minimization) optimizer which has recently attracted a lot of interest due to its increased performance over more classical variants of stochastic gradient descent. Our main contribution is the derivation of continuous-time models (in the form of SDEs) for SAM and two of its variants, both for the full-batch and mini-batch settings. We demonstrate that these SDEs are rigorous approximations of the real discrete-time algorithms (in a weak sense, scaling linearly with the learning rate). Using these models, we then offer an explanation of why SAM prefers flat minima over sharp ones~--~by showing that it minimizes an implicitly regularized loss with a Hessian-dependent noise structure. Finally, we prove that SAM is attracted to saddle points under some realistic conditions. Our theoretical results are supported by detailed experiments.

We present a new class of fast polylog-linear algorithms based on the theory of structured matrices (in particular low displacement rank) for integrating tensor fields defined on weighted trees. Several applications of the resulting fast tree-field integrators (FTFIs) are presented, including (a) approximation of graph metrics with tree metrics, (b) graph classification, (c) modeling on meshes, and finally (d) Topological Transformers (TTs) (Choromanski et al., 2022) for images. For Topological Transformers, we propose new relative position encoding (RPE) masking mechanisms with as few as three extra learnable parameters per Transformer layer, leading to 1.0-1.5%+ accuracy gains. Importantly, most of FTFIs are exact methods, thus numerically equivalent to their brute-force counterparts. When applied to graphs with thousands of nodes, those exact algorithms provide 5.7-13x speedups. We also provide an extensive theoretical analysis of our methods.

There has been a recent surge of interest in modeling neural networks (NNs) as Gaussian processes. In the limit of a NN of infinite width the NN becomes equivalent to a Gaussian process. Here we demonstrate that for an ensemble of large, finite, fully connected networks with a single hidden layer the distribution of outputs at initialization is well described by a Gaussian perturbed by the fourth Hermite polynomial for weights drawn from a symmetric distribution. We show that the scale of the perturbation is inversely proportional to the number of units in the NN and that higher order terms decay more rapidly, thereby recovering the Edgeworth expansion. We conclude by observing that understanding how this perturbation changes under training would reveal the regimes in which the Gaussian process framework is valid to model NN behavior.

Distant and weak supervision allow to obtain large amounts of labeled training data quickly and cheaply, but these automatic annotations tend to contain a high amount of errors. A popular technique to overcome the negative effects of these noisy labels is noise modelling where the underlying noise process is modelled. In this work, we study the quality of these estimated noise models from the theoretical side by deriving the expected error of the noise model. Apart from evaluating the theoretical results on commonly used synthetic noise, we also publish NoisyNER, a new noisy label dataset from the NLP domain that was obtained through a realistic distant supervision technique. It provides seven sets of labels with differing noise patterns to evaluate different noise levels on the same instances. Parallel, clean labels are available making it possible to study scenarios where a small amount of gold-standard data can be leveraged. Our theoretical results and the corresponding experiments give insights into the factors that influence the noise model estimation like the noise distribution and the sampling technique.

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.

In recent years, significant efforts have been directed toward adapting modern neural network architectures for tabular data. However, despite their larger number of parameters and longer training and inference times, these models often fail to consistently outperform vanilla multilayer perceptron (MLP) neural networks. Moreover, MLP-based ensembles have recently demonstrated superior performance and efficiency compared to advanced deep learning methods. Therefore, rather than focusing on building deeper and more complex deep learning models, we propose investigating whether MLP neural networks can be replaced with more efficient architectures without sacrificing performance. In this paper, we first introduce GG MoE, a mixture-of-experts (MoE) model with a Gumbel-Softmax gating function. We then demonstrate that GG MoE with an embedding layer achieves the highest performance across 38 datasets compared to standard MoE and MLP models. Finally, we show that both MoE and GG MoE utilize significantly fewer parameters than MLPs, making them a promising alternative for scaling and ensemble methods.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

Kolmogorov-Arnold Networks (KAN) are a new class of neural network architecture representing a promising alternative to the Multilayer Perceptron (MLP), demonstrating improved expressiveness and interpretability. However, KANs suffer from slow training and inference speeds relative to MLPs due in part to the recursive nature of the underlying B-spline calculations. This issue is particularly apparent with respect to KANs utilizing high-degree B-splines, as the number of required non-parallelizable recursions is proportional to B-spline degree. We solve this issue by proposing MatrixKAN, a novel optimization that parallelizes B-spline calculations with matrix representation and operations, thus significantly improving effective computation time for models utilizing high-degree B-splines. In this paper, we demonstrate the superior scaling of MatrixKAN's computation time relative to B-spline degree. Further, our experiments demonstrate speedups of approximately 40x relative to KAN, with significant additional speedup potential for larger datasets or higher spline degrees.

Existing methods to recover model accuracy on analog-digital hardware in the presence of quantization and analog noise include noise-injection training. However, it can be slow in practice, incurring high computational costs, even when starting from pretrained models. We introduce the Sensitivity-Aware Finetuning (SAFT) approach that identifies noise sensitive layers in a model, and uses the information to freeze specific layers for noise-injection training. Our results show that SAFT achieves comparable accuracy to noise-injection training and is 2x to 8x faster.

Proposing an effective and flexible matrix to represent a graph is a fundamental challenge that has been explored from multiple perspectives, e.g., filtering in Graph Fourier Transforms. In this work, we develop a novel and general framework which unifies many existing GNN models from the view of parameterized decomposition and filtering, and show how it helps to enhance the flexibility of GNNs while alleviating the smoothness and amplification issues of existing models. Essentially, we show that the extensively studied spectral graph convolutions with learnable polynomial filters are constrained variants of this formulation, and releasing these constraints enables our model to express the desired decomposition and filtering simultaneously. Based on this generalized framework, we develop models that are simple in implementation but achieve significant improvements and computational efficiency on a variety of graph learning tasks. Code is available at https://github.com/qslim/PDF.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

We study the problem of robustly learning Gaussian Single Index Models (SIMs) in the presence of heavy-tailed noise and a constant fraction of adversarially corrupted covariates and responses. Prior work on robust recovery has considered settings such as linear regression (Pensia et al., JASA 2024), strictly monotonic link functions (Awasthi et al., NeurIPS 2022), and phase retrieval (Buna and Rebeschini, AISTATS 2025). However, these techniques do not extend to generic asymmetric non-monotonic link functions such as GeLU and Swish, which arise naturally as scalar primitives in modern gated neural architectures. We close this gap by giving the first robust recovery algorithm with near-linear sample and time complexity for generic non-monotonic link functions, thereby establishing the first robust recovery guarantees for a broad family of nonlinear SIMs for which no guarantees were previously known. Our central contribution is a new structural understanding of the Gaussian squared-loss landscape under adversarial contamination. Crucially, we prove that for a broad class of nonlinear non-monotonic SIMs, a dimension-independent, constant-radius convex basin exists around the ground truth and is efficiently reachable via robust spectral initialization even under adversarial contamination. Prior works fail to establish both guarantees simultaneously, thereby either breaking down under adversarial contamination or failing to handle generic non-monotonic link functions. Together, these structural insights yield a principled warm start for robust gradient descent that provably converges to a final estimation error of O(σsqrtε) in O(nd) time with O(d) samples, where ε is the contamination fraction.

Aligned large language models (LLMs) remain vulnerable to adversarial manipulation, and their reliance on web-scale pretraining creates a subtle but consequential attack surface. We study Stealth Pretraining Seeding (SPS), a threat model in which adversaries distribute small amounts of poisoned content across stealth websites, increasing the likelihood that such material is absorbed into future training corpora derived from sources such as Common Crawl. Because each individual payload is tiny, diffuse, and superficially benign, the attack is difficult to detect during dataset construction or filtering. The result is a latent form of poisoning that remains largely invisible under standard evaluation, yet can later be activated by a precise trigger such as <00TRIGGER00>. We call this attack PermaFrost, reflecting its latent and reactivatable nature. We study it through PermaFrost-Attack, a controlled framework for latent conceptual poisoning, together with three geometric diagnostics: Thermodynamic Length, Spectral Curvature, and the Infection Traceback Graph. Across multiple model families and scales, we show that this controlled SPS proxy can induce persistent unsafe behavior that often remains hidden under standard evaluation. Our results identify SPS as a practical and underappreciated threat to future foundation models. This paper introduces a novel geometric diagnostic lens for systematically examining latent model behavior, providing a principled foundation for detecting, characterizing, and understanding vulnerabilities that may remain invisible under standard evaluation.

Past work has studied the effects of fine-tuning on large language models' (LLMs) overall performance on certain tasks. However, a quantitative and systematic method for analyzing its effect on individual outputs is still lacking. Here, we propose a new method for measuring the contribution that fine-tuning makes to individual LLM responses, assuming access to the original pre-trained model. Our method tracks the model's intermediate hidden states, providing a more fine-grained insight into the effects of fine-tuning than a simple comparison of final outputs from pre-trained and fine-tuned models. We introduce and theoretically analyze an exact decomposition of any fine-tuned LLM into a pre-training component and a fine-tuning component. Empirically, we find that model behavior and performance can be steered by up- or down-scaling the fine-tuning component during the forward pass. Motivated by this finding and our theoretical analysis, we define the Tuning Contribution (TuCo) as the ratio of the magnitudes of the fine-tuning component to the pre-training component. We observe that three prominent adversarial attacks on LLMs circumvent safety measures in a way that reduces TuCo, and that TuCo is consistently lower on prompts where these attacks succeed compared to those where they do not. This suggests that attenuating the effect of fine-tuning on model outputs plays a role in the success of such attacks. In summary, TuCo enables the quantitative study of how fine-tuning influences model behavior and safety, and vice versa.

We show that PLDR-LLMs pretrained at self-organized criticality exhibit reasoning at inference time. The characteristics of PLDR-LLM deductive outputs at criticality is similar to second-order phase transitions. At criticality, the correlation length diverges, and the deductive outputs attain a metastable steady state. The steady state behaviour suggests that deductive outputs learn representations equivalent to scaling functions, universality classes and renormalization groups from the training dataset, leading to generalization and reasoning capabilities in the process. We can then define an order parameter from the global statistics of the model's deductive output parameters at inference. The reasoning capabilities of a PLDR-LLM is better when its order parameter is close to zero at criticality. This observation is supported by the benchmark scores of the models trained at near-criticality and sub-criticality. Our results provide a self-contained explanation on how reasoning manifests in large language models, and the ability to reason can be quantified solely from global model parameter values of the deductive outputs at steady state, without any need for evaluation of curated benchmark datasets through inductive output for reasoning and comprehension.

We consider the solvable neural scaling model with three parameters: data complexity, target complexity, and model-parameter-count. We use this neural scaling model to derive new predictions about the compute-limited, infinite-data scaling law regime. To train the neural scaling model, we run one-pass stochastic gradient descent on a mean-squared loss. We derive a representation of the loss curves which holds over all iteration counts and improves in accuracy as the model parameter count grows. We then analyze the compute-optimal model-parameter-count, and identify 4 phases (+3 subphases) in the data-complexity/target-complexity phase-plane. The phase boundaries are determined by the relative importance of model capacity, optimizer noise, and embedding of the features. We furthermore derive, with mathematical proof and extensive numerical evidence, the scaling-law exponents in all of these phases, in particular computing the optimal model-parameter-count as a function of floating point operation budget.

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

Pre-trained foundation models have demonstrated remarkable success in vision and language, yet their potential for general machine signal modeling-covering acoustic, vibration, and other industrial sensor data-remains under-explored. Existing approach using sub-band-based encoders has achieved competitive results but are limited by fixed input lengths, and the absence of explicit frequency positional encoding. In this work, we propose a novel foundation model that integrates an advanced band-split architecture with relative frequency positional embeddings, enabling precise spectral localization across arbitrary sampling configurations. The model supports inputs of arbitrary length without padding or segmentation, producing a concise embedding that retains both temporal and spectral fidelity. We evaluate our method on SIREN (https://github.com/yucongzh/SIREN), a newly introduced large-scale benchmark for machine signal encoding that unifies multiple datasets, including all DCASE task 2 challenges (2020-2025) and widely-used industrial signal corpora. Experimental results demonstrate consistent state-of-the-art performance in anomaly detection and fault identification, confirming the effectiveness and generalization capability of the proposed model. We open-sourced ECHO on https://github.com/yucongzh/ECHO.

Kolmogorov-Arnold Networks (KANs) replace scalar weights with per-edge vectors of basis coefficients, thereby boosting expressivity and accuracy but at the same time resulting in a multiplicative increase in parameters and memory. We propose MetaCluster, a framework that makes KANs highly compressible without sacrificing accuracy. Specifically, a lightweight meta-learner, trained jointly with the KAN, is used to map low-dimensional embedding to coefficient vectors, shaping them to lie on a low-dimensional manifold that is amenable to clustering. We then run K-means in coefficient space and replace per-edge vectors with shared centroids. Afterwards, the meta-learner can be discarded, and a brief fine-tuning of the centroid codebook recovers any residual accuracy loss. The resulting model stores only a small codebook and per-edge indices, exploiting the vector nature of KAN parameters to amortize storage across multiple coefficients. On MNIST, CIFAR-10, and CIFAR-100, across standard KANs and ConvKANs using multiple basis functions, MetaCluster achieves a reduction of up to 80times in parameter storage, with no loss in accuracy. Code will be released upon publication.

Large pre-trained models, or foundation models, have shown impressive performance when adapted to a variety of downstream tasks, often out-performing specialized models. Hypernetworks, neural networks that generate some or all of the parameters of another neural network, have become an increasingly important technique for conditioning and generalizing implicit neural representations (INRs), which represent signals or objects such as audio or 3D shapes using a neural network. However, despite the potential benefits of incorporating foundation models in hypernetwork methods, this research direction has not been investigated, likely due to the dissimilarity of the weight generation task with other visual tasks. To address this gap, we (1) show how foundation models can improve hypernetworks with Transformer-based architectures, (2) provide an empirical analysis of the benefits of foundation models for hypernetworks through the lens of the generalizable INR task, showing that leveraging foundation models improves performance, generalizability, and data efficiency across a variety of algorithms and modalities. We also provide further analysis in examining the design space of foundation model-based hypernetworks, including examining the choice of foundation models, algorithms, and the effect of scaling foundation models.

While implicit regularization facilitates benign overfitting in low-noise regimes, recent theoretical work predicts a sharp phase transition to harmful overfitting as the noise-to-signal ratio increases. We experimentally isolate the geometric mechanism of this transition: the Malignant Tail, a failure mode where networks functionally segregate signal and noise, reducing coherent semantic features into low-rank subspaces while pushing stochastic label noise into high-frequency orthogonal components, distinct from systematic or corruption-aligned noise. Through a Spectral Linear Probe of training dynamics, we demonstrate that Stochastic Gradient Descent (SGD) fails to suppress this noise, instead implicitly biasing it toward high-frequency orthogonal subspaces, effectively preserving signal-noise separability. We show that this geometric separation is distinct from simple variance reduction in untrained models. In trained networks, SGD actively segregates noise, allowing post-hoc Explicit Spectral Truncation (d << D) to surgically prune the noise-dominated subspace. This approach recovers the optimal generalization capability latent in the converged model. Unlike unstable temporal early stopping, Geometric Truncation provides a stable post-hoc intervention. Our findings suggest that under label noise, excess spectral capacity is not harmless redundancy but a latent structural liability that allows for noise memorization, necessitating explicit rank constraints to filter stochastic corruptions for robust generalization.

Efficient neural networks are essential for scaling machine learning models to real-time applications and resource-constrained environments. Fully-connected feedforward layers (FFLs) introduce computation and parameter count bottlenecks within neural network architectures. To address this challenge, in this work, we propose a new class of dense layers that generalize standard fully-connected feedforward layers, Efficient, Unified and General dense layers (EUGens). EUGens leverage random features to approximate standard FFLs and go beyond them by incorporating a direct dependence on the input norms in their computations. The proposed layers unify existing efficient FFL extensions and improve efficiency by reducing inference complexity from quadratic to linear time. They also lead to the first unbiased algorithms approximating FFLs with arbitrary polynomial activation functions. Furthermore, EuGens reduce the parameter count and computational overhead while preserving the expressive power and adaptability of FFLs. We also present a layer-wise knowledge transfer technique that bypasses backpropagation, enabling efficient adaptation of EUGens to pre-trained models. Empirically, we observe that integrating EUGens into Transformers and MLPs yields substantial improvements in inference speed (up to 27\%) and memory efficiency (up to 30\%) across a range of tasks, including image classification, language model pre-training, and 3D scene reconstruction. Overall, our results highlight the potential of EUGens for the scalable deployment of large-scale neural networks in real-world scenarios.

The equivalence of realizable and agnostic learnability is a fundamental phenomenon in learning theory. With variants ranging from classical settings like PAC learning and regression to recent trends such as adversarially robust learning, it's surprising that we still lack a unified theory; traditional proofs of the equivalence tend to be disparate, and rely on strong model-specific assumptions like uniform convergence and sample compression. In this work, we give the first model-independent framework explaining the equivalence of realizable and agnostic learnability: a three-line blackbox reduction that simplifies, unifies, and extends our understanding across a wide variety of settings. This includes models with no known characterization of learnability such as learning with arbitrary distributional assumptions and more general loss functions, as well as a host of other popular settings such as robust learning, partial learning, fair learning, and the statistical query model. More generally, we argue that the equivalence of realizable and agnostic learning is actually a special case of a broader phenomenon we call property generalization: any desirable property of a learning algorithm (e.g. noise tolerance, privacy, stability) that can be satisfied over finite hypothesis classes extends (possibly in some variation) to any learnable hypothesis class.

Fine-tuning large pre-trained foundation models, such as the 175B GPT-3, has attracted more attention for downstream tasks recently. While parameter-efficient fine-tuning methods have been proposed and proven effective without retraining all model parameters, their performance is limited by the capacity of incremental modules, especially under constrained parameter budgets. \\ To overcome this challenge, we propose CapaBoost, a simple yet effective strategy that enhances model capacity by leveraging low-rank updates through parallel weight modules in target layers. By applying static random masks to the shared weight matrix, CapaBoost constructs a diverse set of weight matrices, effectively increasing the rank of incremental weights without adding parameters. Notably, our approach can be seamlessly integrated into various existing parameter-efficient fine-tuning methods. We extensively validate the efficacy of CapaBoost through experiments on diverse downstream tasks, including natural language understanding, question answering, and image classification. Our results demonstrate significant improvements over baselines, without incurring additional computation or storage costs. Our code is available at https://github.com/LINs-lab/CapaBoost.