OpenRaiser/Intern-Atlas huggingface dataset:
Temporal Misalignment in ANN-SNN Conversion and its Mitigation via Probabilistic Spiking Neurons
Venue: Conference ICML 2025
Year: 2025

Spiking Neural Networks (SNNs) offer a more energy-efficient alternative to Artificial Neural Networks (ANNs) by mimicking biological neural principles, establishing them as a promising approach to mitigate the increasing energy demands of large-scale neural models. However, fully harnessing the capabilities of SNNs remains challenging due to their discrete signal processing and temporal dynamics. ANN-SNN conversion has emerged as a practical approach, enabling SNNs to achieve competitive performance on complex machine learning tasks. In this work, we identify a phenomenon in the ANN-SNN conversion framework, termed temporal misalignment, in which random spike rearrangement across SNN layers leads to performance improvements. Based on this observation, we introduce biologically plausible two-phase probabilistic (TPP) spiking neurons, further enhancing the conversion process. We demonstrate the advantages of our proposed method both theoretically and empirically through comprehensive experiments on CIFAR-10/100, CIFAR10-DVS, and ImageNet across a variety of architectures, achieving state-of-the-art results.
Flopping for FLOPs: Leveraging Equivariance for Computational Efficiency
Venue: Conference ICML 2025
Year: 2025

Incorporating geometric invariance into neural networks enhances parameter efficiency but typically increases computational costs. This paper introduces new equivariant neural networks that preserve symmetry while maintaining a comparable number of floating-point operations (FLOPs) per parameter to standard non-equivariant networks. We focus on horizontal mirroring (flopping) invariance, common in many computer vision tasks. The main idea is to parametrize the feature spaces in terms of mirror-symmetric and mirror-antisymmetric features, i.e., irreps of the flopping group. This decomposes the linear layers to be block-diagonal, requiring half the number of FLOPs. Our approach reduces both FLOPs and wall-clock time, providing a practical solution for efficient, scalable symmetry-aware architectures.
Flowing Datasets with Wasserstein over Wasserstein Gradient Flows
Venue: Conference ICML 2025
Year: 2025

Many applications in machine learning involve data represented as probability distributions. The emergence of such data requires radically novel techniques to design tractable gradient flows on probability distributions over this type of (infinite-dimensional) objects. For instance, being able to flow labeled datasets is a core task for applications ranging from domain adaptation to transfer learning or dataset distillation. In this setting, we propose to represent each class by the associated conditional distribution of features, and to model the dataset as a mixture distribution supported on these classes (which are themselves probability distributions), meaning that labeled datasets can be seen as probability distributions over probability distributions. We endow this space with a metric structure from optimal transport, namely the Wasserstein over Wasserstein (WoW) distance, derive a differential structure on this space, and define WoW gradient flows. The latter enables to design dynamics over this space that decrease a given objective functional. We apply our framework to transfer learning and dataset distillation tasks, leveraging our gradient flow construction as well as novel tractable functionals that take the form of Maximum Mean Discrepancies with Sliced-Wasserstein based kernels between probability distributions.
Deep Linear Network Training Dynamics from Random Initialization: Data, Width, Depth, and Hyperparameter Transfer
Venue: Conference ICML 2025
Year: 2025

We theoretically characterize gradient descent dynamics in deep linear networks trained at large width from random initialization and on large quantities of random data. Our theory captures the ``wider is better" effect of mean-field/maximum-update parameterized networks as well as hyperparameter transfer effects, which can be contrasted with the neural-tangent parameterization where optimal learning rates shift with model width. We provide asymptotic descriptions of both non-residual and residual neural networks, the latter of which enables an infinite depth limit when branches are scaled as $1/\sqrt{\text{depth}}$. We also compare training with one-pass stochastic gradient descent to the dynamics when training data are repeated at each iteration. Lastly, we show that this model recovers the accelerated power law training dynamics for power law structured data in the rich regime observed in recent works.
How Much Can We Forget about Data Contamination?
Venue: Conference ICML 2025
Year: 2025

The leakage of benchmark data into the training data has emerged as a significant challenge for evaluating the capabilities of large language models (LLMs). In this work, we challenge the common assumption that small-scale contamination renders benchmark evaluations invalid. First, we experimentally quantify the magnitude of benchmark overfitting based on scaling along three dimensions: The number of model parameters (up to 1.6B), the number of times an example is seen (up to 144), and the number of training tokens (up to 40B). If model and data follow the Chinchilla scaling laws, minor contamination indeed leads to overfitting. At the same time, even 144 times of contamination can be forgotten if the training data is scaled beyond five times Chinchilla, a regime characteristic of many modern LLMs. Continual pre-training of OLMo-7B corroborates these results. Next, we study the impact of the weight decay parameter on example forgetting, showing that empirical forgetting occurs faster than the cumulative weight decay. This allows us to gauge the degree of example forgetting in large-scale training runs, indicating that many LLMs, including Lllama 3 405B, have forgotten the data seen at the beginning of training.
An Interpretable N-gram Perplexity Threat Model for Large Language Model Jailbreaks
Venue: Conference ICML 2025
Year: 2025

A plethora of jailbreaking attacks have been proposed to obtain harmful responses from safety-tuned LLMs. These methods largely succeed in coercing the target output in their original settings, but their attacks vary substantially in fluency and computational effort. In this work, we propose a unified threat model for the principled comparison of these methods. Our threat model checks if a given jailbreak is likely to occur in the distribution of text. For this, we build an N-gram language model on 1T tokens, which, unlike model-based perplexity, allows for an LLM-agnostic, nonparametric, and inherently interpretable evaluation. We adapt popular attacks to this threat model, and, for the first time, benchmark these attacks on equal footing with it. After an extensive comparison, we find attack success rates against safety-tuned modern models to be lower than previously presented and that attacks based on discrete optimization significantly outperform recent LLM-based attacks. Being inherently interpretable, our threat model allows for a comprehensive analysis and comparison of jailbreak attacks. We find that effective attacks exploit and abuse infrequent bigrams, either selecting the ones absent from real-world text or rare ones, e.g., specific to Reddit or code datasets.
Reinforcement Learning with Random Time Horizons
Venue: Conference ICML 2025
Year: 2025

We extend the standard reinforcement learning framework to random time horizons. While the classical setting typically assumes finite and deterministic or infinite runtimes of trajectories, we argue that multiple real-world applications naturally exhibit random (potentially trajectory-dependent) stopping times. Since those stopping times typically depend on the policy, their randomness has an effect on policy gradient formulas, which we (mostly for the first time) derive rigorously in this work both for stochastic and deterministic policies. We present two complementary perspectives, trajectory or state-space based, and establish connections to optimal control theory. Our numerical experiments demonstrate that using the proposed formulas can significantly improve optimization convergence compared to traditional approaches.
Accelerated Diffusion Models via Speculative Sampling
Venue: Conference ICML 2025
Year: 2025

Speculative sampling is a popular technique for accelerating inference in Large Language Models by generating candidate tokens using a fast draft model and accepting or rejecting them based on the target model's distribution. While speculative sampling was previously limited to discrete sequences, we extend it to diffusion models, which generate samples via continuous, vector-valued Markov chains. In this context, the target model is a high-quality but computationally expensive diffusion model. We propose various drafting strategies, including a simple and effective approach that does not require training a draft model and is applicable out of the box to any diffusion model. Our experiments demonstrate significant generation speedup on various diffusion models, halving the number of function evaluations, while generating exact samples from the target model.
Distributional Diffusion Models with Scoring Rules
Venue: Conference ICML 2025
Year: 2025

Diffusion models generate high-quality synthetic data. They operate by defining a continuous-time forward process which gradually adds Gaussian noise to data until fully corrupted. The corresponding reverse process progressively "denoises" a Gaussian sample into a sample from the data distribution. However, generating high-quality outputs requires many discretization steps to obtain a faithful approximation of the reverse process. This is expensive and has motivated the development of many acceleration methods. We propose to accomplish sample generation by learning the posterior {\em distribution} of clean data samples given their noisy versions, instead of only the mean of this distribution. This allows us to sample from the probability transitions of the reverse process on a coarse time scale, significantly accelerating inference with minimal degradation of the quality of the output. This is accomplished by replacing the standard regression loss used to estimate conditional means with a scoring rule. We validate our method on image and robot trajectory generation, where we consistently outperform standard diffusion models at few discretization steps.
On the Query Complexity of Verifier-Assisted Language Generation
Venue: Conference ICML 2025
Year: 2025

Recently, a plethora of works have proposed inference-time algorithms (e.g. best-of-n), which incorporate verifiers to assist the generation process. Their quality-efficiency trade-offs have been empirically benchmarked on a variety of constrained generation tasks, but the algorithmic design landscape is still largely poorly understood. In this paper, we develop a mathematical framework for reasoning about constrained generation using a pre-trained language model generator oracle and a process verifier--which can decide whether a prefix can be extended to a string which satisfies the constraints of choice. We show that even in very simple settings, access to a verifier can render an intractable problem (information-theoretically or computationally) to a tractable one. In fact, we show even simple algorithms, like tokenwise rejection sampling, can enjoy significant benefits from access to a verifier. Empirically, we show that a natural modification of tokenwise rejection sampling, in which the sampler is allowed to "backtrack" (i.e., erase the final few generated tokens) has robust and substantive benefits over natural baselines (e.g. (blockwise) rejection sampling, nucleus sampling)--both in terms of computational efficiency, accuracy and diversity.
Learning to Match Unpaired Data with Minimum Entropy Coupling
Venue: Conference ICML 2025
Year: 2025

Multimodal data is a precious asset enabling a variety of downstream tasks in machine learning. However, real-world data collected across different modalities is often not paired, which is a significant challenge to learn a joint distribution. A prominent approach to address the modality coupling problem is Minimum Entropy Coupling (MEC), which seeks to minimize the joint Entropy, while satisfying constraints on the marginals. Existing approaches to the MEC problem focus on finite, discrete distributions, limiting their application for cases involving continuous data. In this work, we propose a novel method to solve the continuous MEC problem, using well-known generative diffusion models that learn to approximate and minimize the joint Entropy through a cooperative scheme, while satisfying a relaxed version of the marginal constraints. We empirically demonstrate that our method, DDMEC, is general and can be easily used to address challenging tasks, including unsupervised single-cell multi-omics data alignment and unpaired image translation, outperforming specialized methods.
Robust ML Auditing using Prior Knowledge
Venue: Conference ICML 2025
Year: 2025

Among the many technical challenges to enforcing AI regulations, one crucial yet underexplored problem is the risk of audit manipulation. This manipulation occurs when a platform deliberately alters its answers to a regulator to pass an audit without modifying its answers to other users. In this paper, we introduce a novel approach to manipulation-proof auditing by taking into account the auditor's prior knowledge of the task solved by the platform. We first demonstrate that regulators must not rely on public priors (e.g. a public dataset), as platforms could easily fool the auditor in such cases. We then formally establish the conditions under which an auditor can prevent audit manipulations using prior knowledge about the ground truth. Finally, our experiments with two standard datasets illustrate the maximum level of unfairness a platform can hide before being detected as malicious. Our formalization and generalization of manipulation-proof auditing with a prior opens up new research directions for more robust fairness audits.
Simplicity Bias and Optimization Threshold in Two-Layer ReLU Networks
Venue: Conference ICML 2025
Year: 2025

Understanding generalization of overparametrized neural networks remains a fundamental challenge in machine learning. Most of the literature mostly studies generalization from an interpolation point of view, taking convergence of parameters towards a global minimum of the training loss for granted. While overparametrized architectures indeed interpolated the data for typical classification tasks, this interpolation paradigm does not seem valid anymore for more complex tasks such as in-context learning or diffusion. Instead for such tasks, it has been empirically observed that the trained models goes from global minima to spurious local minima of the training loss as the number of training samples becomes larger than some level we call optimization threshold. While the former yields a poor generalization to the true population loss, the latter was observed to actually correspond to the minimiser of this true loss. This paper explores theoretically this phenomenon in the context of two-layer ReLU networks. We demonstrate that, despite overparametrization, networks often converge toward simpler solutions rather than interpolating the training data, which can lead to a drastic improvement on the test loss with respect to interpolating solutions. Our analysis relies on the so called early alignment phase, during which neurons align towards specific directions. This directional alignment, which occurs in the early stage of training, leads to a simplicity bias, wherein the network approximates the ground truth model without converging to the global minimum of the training loss. Our results suggest that this bias, resulting in an optimization threshold from which interpolation is not reached anymore, is beneficial and enhances the generalization of trained models.
BARK: A Fully Bayesian Tree Kernel for Black-box Optimization
Venue: Conference ICML 2025
Year: 2025

We perform Bayesian optimization using a Gaussian process perspective on Bayesian Additive Regression Trees (BART). Our BART Kernel (BARK) uses tree agreement to define a posterior over piecewise-constant functions, and we explore the space of tree kernels using a Markov chain Monte Carlo approach. Where BART only samples functions, the resulting BARK model obtains samples of Gaussian processes defining distributions over functions, which allow us to build acquisition functions for Bayesian optimization. Our tree-based approach enables global optimization over the surrogate, even for mixed-feature spaces. Moreover, where many previous tree-based kernels provide uncertainty quantification over function values, our sampling scheme captures uncertainty over the tree structure itself. Our experiments show the strong performance of BARK on both synthetic and applied benchmarks, due to the combination of our fully Bayesian surrogate and the optimization procedure.
Mechanisms of Projective Composition of Diffusion Models
Venue: Conference ICML 2025
Year: 2025

We study the theoretical foundations of composition in diffusion models, with a particular focus on out-of-distribution extrapolation and length-generalization. Prior work has shown that composing distributions via linear score combination can achieve promising results, including length-generalization in some cases (Du et al., 2023; Liu et al., 2022). However, our theoretical understanding of how and why such compositions work remains incomplete. In fact, it is not even entirely clear what it means for composition to "work". This paper starts to address these fundamental gaps. We begin by precisely defining one possible desired result of composition, which we call projective composition. Then, we investigate: (1) when linear score combinations provably achieve projective composition, (2) whether reverse-diffusion sampling can generate the desired composition, and (3) the conditions under which composition fails. We connect our theoretical analysis to prior empirical observations where composition has either worked or failed, for reasons that were unclear at the time. Finally, we propose a simple heuristic to help predict the success or failure of new compositions.
DEFAME: Dynamic Evidence-based FAct-checking with Multimodal Experts
Venue: Conference ICML 2025
Year: 2025

The proliferation of disinformation demands reliable and scalable fact-checking solutions. We present Dynamic Evidence-based FAct-checking with Multimodal Experts (DEFAME), a modular, zero-shot MLLM pipeline for open-domain, text-image claim verification. DEFAME operates in a six-stage process, dynamically selecting the tools and search depth to extract and evaluate textual and visual evidence. Unlike prior approaches that are text-only, lack explainability, or rely solely on parametric knowledge, DEFAME performs end-to-end verification, accounting for images in claims and evidence while generating structured, multimodal reports. Evaluation on the popular benchmarks VERITE, AVerITeC, and MOCHEG shows that DEFAME surpasses all previous methods, establishing itself as the new state-of-the-art fact-checking system for uni- and multimodal fact-checking. Moreover, we introduce a new multimodal benchmark, ClaimReview2024+, featuring claims after the knowledge cutoff of GPT-4o, avoiding data leakage. Here, DEFAME drastically outperforms the GPT-4o baselines, showing temporal generalizability and the potential for real-time fact-checking.
Relative Error Fair Clustering in the Weak-Strong Oracle Model
Venue: Conference ICML 2025
Year: 2025

We study fair clustering problems in a setting where distance information is obtained from two sources: a strong oracle providing exact distances, but at a high cost, and a weak oracle providing potentially inaccurate distance estimates at a low cost. The goal is to produce a near-optimal fair clustering on $n$ input points with a minimum number of strong oracle queries. This models the increasingly common trade-off between accurate but expensive similarity measures (e.g., large-scale embeddings) and cheaper but inaccurate alternatives. The study of fair clustering in the model is motivated by the important quest of achieving fairness with the presence of inaccurate information. We achieve the first $(1+\varepsilon)$-coresets for fair $k$-median clustering using $\text{poly}\left(\frac{k}{\varepsilon}\cdot\log n\right)$ queries to the strong oracle. Furthermore, our results imply coresets for the standard setting (without fairness constraints), and we could in fact obtain $(1+\varepsilon)$-coresets for $(k,z)$-clustering for general $z=O(1)$ with a similar number of strong oracle queries. In contrast, previous results achieved a constant-factor $(>10)$ approximation for the standard $k$-clustering problems, and no previous work considered the fair $k$-median clustering problem.
Learning-Augmented Hierarchical Clustering
Venue: Conference ICML 2025
Year: 2025

Hierarchical clustering (HC) is an important data analysis technique in which the goal is to recursively partition a dataset into a tree-like structure while grouping together similar data points at each level of granularity. Unfortunately, for many of the proposed HC objectives, there exist strong barriers to approximation algorithms with the hardness of approximation. Thus, we consider the problem of hierarchical clustering given auxiliary information from natural oracles. Specifically, we focus on a *splitting oracle* which, when provided with a triplet of vertices $(u,v,w)$, answers (possibly erroneously) the pairs of vertices whose lowest common ancestor includes all three vertices in an optimal tree, i.e., identifying which vertex ``splits away'' from the others. Using such an oracle, we obtain the following results: - A polynomial-time algorithm that outputs a hierarchical clustering tree with $O(1)$-approximation to the Dasgupta objective (Dasgupta [STOC'16]). - A near-linear time algorithm that outputs a hierarchical clustering tree with $(1-o(1))$-approximation to the Moseley-Wang objective (Moseley and Wang [NeurIPS'17]). Under the plausible Small Set Expansion Hypothesis, no polynomial-time algorithm can achieve any constant approximation for Dasgupta's objective or $(1-C)$-approximation for the Moseley-Wang objective for some constant $C>0$. As such, our results demonstrate that the splitting oracle enables algorithms to outperform standard HC approaches and overcome hardness constraints. Furthermore, our approaches extend to sublinear settings, in which we show new streaming and PRAM algorithms for HC with improved guarantees.
E-LDA: Toward Interpretable LDA Topic Models with Strong Guarantees in Logarithmic Parallel Time
Venue: Conference ICML 2025
Year: 2025

In this paper, we provide the first practical algorithms with provable guarantees for the problem of inferring the topics assigned to each document in an LDA topic model. This is the primary inference problem for many applications of topic models in social science, data exploration, and causal inference settings. We obtain this result by showing a novel non-gradient-based, combinatorial approach to estimating topic models. This yields algorithms that converge to near-optimal posterior probability in logarithmic parallel computation time (adaptivity) -- exponentially faster than any known LDA algorithm. We also show that our approach can provide interpretability guarantees such that each learned topic is formally associated with a known keyword. Finally, we show that unlike alternatives, our approach can maintain the independence assumptions necessary to use the learned topic model for downstream causal inference methods that allow researchers to study topics as treatments. In terms of practical performance, our approach consistently returns solutions of higher semantic quality than solutions from state-of-the-art LDA algorithms, neural topic models, and LLM-based topic models across a diverse range of text datasets and evaluation parameters.