OpenRaiser/Intern-Atlas huggingface dataset:
Optimizing Noise Distributions for Differential Privacy
Venue: Conference ICML 2025
Year: 2025

We propose a unified optimization framework for designing continuous and discrete noise distributions that ensure differential privacy (DP) by minimizing Rényi DP, a variant of DP, under a cost constraint. Rényi DP has the advantage that by considering different values of the Rényi parameter $α$, we can tailor our optimization for any number of compositions. To solve the optimization problem, we reduce it to a finite-dimensional convex formulation and perform preconditioned gradient descent. The resulting noise distributions are then compared to their Gaussian and Laplace counterparts. Numerical results demonstrate that our optimized distributions are consistently better, with significant improvements in $(\varepsilon, δ)$-DP guarantees in the moderate composition regimes, compared to Gaussian and Laplace distributions with the same variance.
Discovering Spoofing Attempts on Language Model Watermarks
Venue: Conference ICML 2025
Year: 2025

LLM watermarks stand out as a promising way to attribute ownership of LLM-generated text. One threat to watermark credibility comes from spoofing attacks, where an unauthorized third party forges the watermark, enabling it to falsely attribute arbitrary texts to a particular LLM. Despite recent work demonstrating that state-of-the-art schemes are, in fact, vulnerable to spoofing, no prior work has focused on post-hoc methods to discover spoofing attempts. In this work, we for the first time propose a reliable statistical method to distinguish spoofed from genuinely watermarked text, suggesting that current spoofing attacks are less effective than previously thought. In particular, we show that regardless of their underlying approach, all current learning-based spoofing methods consistently leave observable artifacts in spoofed texts, indicative of watermark forgery. We build upon these findings to propose rigorous statistical tests that reliably reveal the presence of such artifacts and thus demonstrate that a watermark has been spoofed. Our experimental evaluation shows high test power across all learning-based spoofing methods, providing insights into their fundamental limitations and suggesting a way to mitigate this threat. We make all our code available at https://github.com/eth-sri/watermark-spoofing-detection .
When can in-context learning generalize out of task distribution?
Venue: Conference ICML 2025
Year: 2025

In-context learning (ICL) is a remarkable capability of pretrained transformers that allows models to generalize to unseen tasks after seeing only a few examples. We investigate empirically the conditions necessary on the pretraining distribution for ICL to emerge and generalize \emph{out-of-distribution}. Previous work has focused on the number of distinct tasks necessary in the pretraining dataset. Here, we use a different notion of task diversity to study the emergence of ICL in transformers trained on linear functions. We find that as task diversity increases, transformers undergo a transition from a specialized solution, which exhibits ICL only within the pretraining task distribution, to a solution which generalizes out of distribution to the entire task space. We also investigate the nature of the solutions learned by the transformer on both sides of the transition, and observe similar transitions in nonlinear regression problems. We construct a phase diagram to characterize how our concept of task diversity interacts with the number of pretraining tasks. In addition, we explore how factors such as the depth of the model and the dimensionality of the regression problem influence the transition.
R3DM: Enabling Role Discovery and Diversity Through Dynamics Models in Multi-agent Reinforcement Learning
Venue: Conference ICML 2025
Year: 2025

Multi-agent reinforcement learning (MARL) has achieved significant progress in large-scale traffic control, autonomous vehicles, and robotics. Drawing inspiration from biological systems where roles naturally emerge to enable coordination, role-based MARL methods have been proposed to enhance cooperation learning for complex tasks. However, existing methods exclusively derive roles from an agent's past experience during training, neglecting their influence on its future trajectories. This paper introduces a key insight: an agent's role should shape its future behavior to enable effective coordination. Hence, we propose Role Discovery and Diversity through Dynamics Models (R3DM), a novel role-based MARL framework that learns emergent roles by maximizing the mutual information between agents' roles, observed trajectories, and expected future behaviors. R3DM optimizes the proposed objective through contrastive learning on past trajectories to first derive intermediate roles that shape intrinsic rewards to promote diversity in future behaviors across different roles through a learned dynamics model. Benchmarking on SMAC and SMACv2 environments demonstrates that R3DM outperforms state-of-the-art MARL approaches, improving multi-agent coordination to increase win rates by up to 20%. The code is available at https://github.com/UTAustin-SwarmLab/R3DM.
When Bad Data Leads to Good Models
Venue: Conference ICML 2025
Year: 2025

In large language model (LLM) pretraining, data quality is believed to determine model quality. In this paper, we re-examine the notion of "quality" from the perspective of pre- and post-training co-design. Specifically, we explore the possibility that pre-training on more toxic data can lead to better control in post-training, ultimately decreasing a model's output toxicity. First, we use a toy experiment to study how data composition affects the geometry of features in the representation space. Next, through controlled experiments with Olmo-1B models trained on varying ratios of clean and toxic data, we find that the concept of toxicity enjoys a less entangled linear representation as the proportion of toxic data increases. Furthermore, we show that although toxic data increases the generational toxicity of the base model, it also makes the toxicity easier to remove. Evaluations on Toxigen and Real Toxicity Prompts demonstrate that models trained on toxic data achieve a better trade-off between reducing generational toxicity and preserving general capabilities when detoxifying techniques such as inference-time intervention (ITI) are applied. Our findings suggest that, with post-training taken into account, bad data may lead to good models.
Position: Enough of Scaling LLMs! Lets Focus on Downscaling
Venue: Conference ICML 2025
Year: 2025

We challenge the dominant focus on neural scaling laws and advocate for a paradigm shift toward downscaling in the development of large language models (LLMs). While scaling laws have provided critical insights into performance improvements through increasing model and dataset size, we emphasize the significant limitations of this approach, particularly in terms of computational inefficiency, environmental impact, and deployment constraints. To address these challenges, we propose a holistic framework for downscaling LLMs that seeks to maintain performance while drastically reducing resource demands. This paper outlines practical strategies for transitioning away from traditional scaling paradigms, advocating for a more sustainable, efficient, and accessible approach to LLM development.
Great Models Think Alike and this Undermines AI Oversight
Venue: Conference ICML 2025
Year: 2025

As Language Model (LM) capabilities advance, evaluating and supervising them at scale is getting harder for humans. There is hope that other language models can automate both these tasks, which we refer to as ''AI Oversight''. We study how model similarity affects both aspects of AI oversight by proposing Chance Adjusted Probabilistic Agreement (CAPA): a metric for LM similarity based on overlap in model mistakes. Using CAPA, we first show that LLM-as-a-judge scores favor models similar to the judge, generalizing recent self-preference results. Then, we study training on LM annotations, and find complementary knowledge between the weak supervisor and strong student model plays a crucial role in gains from ''weak-to-strong generalization''. As model capabilities increase, it becomes harder to find their mistakes, and we might defer more to AI oversight. However, we observe a concerning trend -- model mistakes are becoming more similar with increasing capabilities, pointing to risks from correlated failures. Our work underscores the importance of reporting and correcting for model similarity, especially in the emerging paradigm of AI oversight.
SHIELD: Multi-task Multi-distribution Vehicle Routing Solver with Sparsity and Hierarchy
Venue: Conference ICML 2025
Year: 2025

Recent advances toward foundation models for routing problems have shown great potential of a unified deep model for various VRP variants. However, they overlook the complex real-world customer distributions. In this work, we advance the Multi-Task VRP (MTVRP) setting to the more realistic yet challenging Multi-Task Multi-Distribution VRP (MTMDVRP) setting, and introduce SHIELD, a novel model that leverages both sparsity and hierarchy principles. Building on a deeper decoder architecture, we first incorporate the Mixture-of-Depths (MoD) technique to enforce sparsity. This improves both efficiency and generalization by allowing the model to dynamically select nodes to use or skip each decoder layer, providing the needed capacity to adaptively allocate computation for learning the task/distribution specific and shared representations. We also develop a context-based clustering layer that exploits the presence of hierarchical structures in the problems to produce better local representations. These two designs inductively bias the network to identify key features that are common across tasks and distributions, leading to significantly improved generalization on unseen ones. Our empirical results demonstrate the superiority of our approach over existing methods on 9 real-world maps with 16 VRP variants each.
Scaling Laws for Task-Optimized Models of the Primate Visual Ventral Stream
Venue: Conference ICML 2025
Year: 2025

When trained on large-scale object classification datasets, certain artificial neural network models begin to approximate core object recognition behaviors and neural response patterns in the primate brain. While recent machine learning advances suggest that scaling compute, model size, and dataset size improves task performance, the impact of scaling on brain alignment remains unclear. In this study, we explore scaling laws for modeling the primate visual ventral stream by systematically evaluating over 600 models trained under controlled conditions on benchmarks spanning V1, V2, V4, IT and behavior. We find that while behavioral alignment continues to scale with larger models, neural alignment saturates. This observation remains true across model architectures and training datasets, even though models with stronger inductive biases and datasets with higher-quality images are more compute-efficient. Increased scaling is especially beneficial for higher-level visual areas, where small models trained on few samples exhibit only poor alignment. Our results suggest that while scaling current architectures and datasets might suffice for alignment with human core object recognition behavior, it will not yield improved models of the brain's visual ventral stream, highlighting the need for novel strategies in building brain models.
Learning Safe Strategies for Value Maximizing Buyers in Uniform Price Auctions
Venue: Conference ICML 2025
Year: 2025

We study the bidding problem in repeated uniform price multi-unit auctions from the perspective of a value-maximizing buyer. The buyer aims to maximize their cumulative value over $T$ rounds while adhering to per-round return-on-investment (RoI) constraints in a strategic (or adversarial) environment. Using an $m$-uniform bidding format, the buyer submits $m$ bid-quantity pairs $(b_i, q_i)$ to demand $q_i$ units at bid $b_i$, with $m \ll M$ in practice, where $M$ denotes the maximum demand of the buyer. We introduce the notion of safe bidding strategies as those that satisfy the RoI constraints irrespective of competing bids. Despite the stringent requirement, we show that these strategies satisfy a mild no-overbidding condition, depend only on the valuation curve of the bidder, and the bidder can focus on a finite subset without loss of generality. Though the subset size is $O(M^m)$, we design a polynomial-time learning algorithm that achieves sublinear regret, both in full-information and bandit settings, relative to the hindsight-optimal safe strategy. We assess the robustness of safe strategies against the hindsight-optimal strategy from a richer class. We define the richness ratio $α\in (0,1]$ as the minimum ratio of the value of the optimal safe strategy to that of the optimal strategy from richer class and construct hard instances showing the tightness of $α$. Our algorithm achieves $α$-approximate sublinear regret against these stronger benchmarks. Simulations on semi-synthetic auction data show that empirical richness ratios significantly outperform the theoretical worst-case bounds. The proposed safe strategies and learning algorithm extend naturally to more nuanced buyer and competitor models.
AdaSplash: Adaptive Sparse Flash Attention
Venue: Conference ICML 2025
Year: 2025

The computational cost of softmax-based attention in transformers limits their applicability to long-context tasks. Adaptive sparsity, of which $α$-entmax attention is an example, offers a flexible data-dependent alternative, but existing implementations are inefficient and do not leverage the sparsity to obtain runtime and memory gains. In this work, we propose AdaSplash, which combines the efficiency of GPU-optimized algorithms with the sparsity benefits of $α$-entmax. We first introduce a hybrid Halley-bisection algorithm, resulting in a 7-fold reduction in the number of iterations needed to compute the $α$-entmax transformation. Then, we implement custom Triton kernels to efficiently handle adaptive sparsity. Experiments with RoBERTa and ModernBERT for text classification and single-vector retrieval, along with GPT-2 for language modeling, show that our method achieves substantial improvements in runtime and memory efficiency compared to existing $α$-entmax implementations. It approaches -- and in some cases surpasses -- the efficiency of highly optimized softmax implementations like FlashAttention-2, enabling long-context training while maintaining strong task performance.
Kernel-based Unsupervised Embedding Alignment for Enhanced Visual Representation in Vision-language Models
Venue: Conference ICML 2025
Year: 2025

Vision-language models, such as CLIP, have achieved significant success in aligning visual and textual representations, becoming essential components of many multi-modal large language models (MLLMs) like LLaVA and OpenFlamingo. However, numerous studies have identified CLIP's limited fine-grained perception as a critical drawback, leading to substantial failures in downstream MLLMs. In contrast, vision-centric foundation models like DINOv2 demonstrate remarkable capabilities in capturing fine details from images. In this work, we propose a novel kernel-based method to align CLIP's visual representation with that of DINOv2, ensuring that the resulting embeddings maintain compatibility with text embeddings while enhancing perceptual capabilities. Our alignment objective is designed for efficient stochastic optimization. Following this image-only alignment fine-tuning, the visual encoder retains compatibility with the frozen text encoder and exhibits significant improvements in zero-shot object recognition, fine-grained spatial reasoning, and localization. By integrating the aligned visual encoder, downstream MLLMs also demonstrate enhanced performance.
Latent Preference Coding: Aligning Large Language Models via Discrete Latent Codes
Venue: Conference ICML 2025
Year: 2025

Large language models (LLMs) have achieved remarkable success, yet aligning their generations with human preferences remains a critical challenge. Existing approaches to preference modeling often rely on an explicit or implicit reward function, overlooking the intricate and multifaceted nature of human preferences that may encompass conflicting factors across diverse tasks and populations. To address this limitation, we introduce Latent Preference Coding (LPC), a novel framework that models the implicit factors as well as their combinations behind holistic preferences using discrete latent codes. LPC seamlessly integrates with various offline alignment algorithms, automatically inferring the underlying factors and their importance from data without relying on pre-defined reward functions and hand-crafted combination weights. Extensive experiments on multiple benchmarks demonstrate that LPC consistently improves upon three alignment algorithms (DPO, SimPO, and IPO) using three base models (Mistral-7B, Llama3-8B, and Llama3-8B-Instruct). Furthermore, deeper analysis reveals that the learned latent codes effectively capture the differences in the distribution of human preferences and significantly enhance the robustness of alignment against noise in data. By providing a unified representation for the multifarious preference factors, LPC paves the way towards developing more robust and versatile alignment techniques for the responsible deployment of powerful LLMs.
Expressive Score-Based Priors for Distribution Matching with Geometry-Preserving Regularization
Venue: Conference ICML 2025
Year: 2025

Distribution matching (DM) is a versatile domain-invariant representation learning technique that has been applied to tasks such as fair classification, domain adaptation, and domain translation. Non-parametric DM methods struggle with scalability and adversarial DM approaches suffer from instability and mode collapse. While likelihood-based methods are a promising alternative, they often impose unnecessary biases through fixed priors or require explicit density models (e.g., flows) that can be challenging to train. We address this limitation by introducing a novel approach to training likelihood-based DM using expressive score-based prior distributions. Our key insight is that gradient-based DM training only requires the prior's score function -- not its density -- allowing us to train the prior via denoising score matching. This approach eliminates biases from fixed priors (e.g., in VAEs), enabling more effective use of geometry-preserving regularization, while avoiding the challenge of learning an explicit prior density model (e.g., a flow-based prior). Our method also demonstrates better stability and computational efficiency compared to other diffusion-based priors (e.g., LSGM). Furthermore, experiments demonstrate superior performance across multiple tasks, establishing our score-based method as a stable and effective approach to distribution matching. Source code available at https://github.com/inouye-lab/SAUB.
PhantomWiki: On-Demand Datasets for Reasoning and Retrieval Evaluation
Venue: Conference ICML 2025
Year: 2025

High-quality benchmarks are essential for evaluating reasoning and retrieval capabilities of large language models (LLMs). However, curating datasets for this purpose is not a permanent solution as they are prone to data leakage and inflated performance results. To address these challenges, we propose PhantomWiki: a pipeline to generate unique, factually consistent document corpora with diverse question-answer pairs. Unlike prior work, PhantomWiki is neither a fixed dataset, nor is it based on any existing data. Instead, a new PhantomWiki instance is generated on demand for each evaluation. We vary the question difficulty and corpus size to disentangle reasoning and retrieval capabilities respectively, and find that PhantomWiki datasets are surprisingly challenging for frontier LLMs. Thus, we contribute a scalable and data leakage-resistant framework for disentangled evaluation of reasoning, retrieval, and tool-use abilities. Our code is available at https://github.com/kilian-group/phantom-wiki.
A Rescaling-Invariant Lipschitz Bound Based on Path-Metrics for Modern ReLU Network Parameterizations
Venue: Conference ICML 2025
Year: 2025

Robustness with respect to weight perturbations underpins guarantees for generalization, pruning and quantization. Existing guarantees rely on Lipschitz bounds in parameter space, cover only plain feed-forward MLPs, and break under the ubiquitous neuron-wise rescaling symmetry of ReLU networks. We prove a new Lipschitz inequality expressed through the $\ell^1$-path-metric of the weights. The bound is (i) rescaling-invariant by construction and (ii) applies to any ReLU-DAG architecture with any combination of convolutions, skip connections, pooling, and frozen (inference-time) batch-normalization -- thus encompassing ResNets, U-Nets, VGG-style CNNs, and more. By respecting the network's natural symmetries, the new bound strictly sharpens prior parameter-space bounds and can be computed in two forward passes. To illustrate its utility, we derive from it a symmetry-aware pruning criterion and show -- through a proof-of-concept experiment on a ResNet-18 trained on ImageNet -- that its pruning performance matches that of classical magnitude pruning, while becoming totally immune to arbitrary neuron-wise rescalings.
Fast Inference with Kronecker-Sparse Matrices
Venue: Conference ICML 2025
Year: 2025

Kronecker-sparse (KS) matrices -- whose supports are Kronecker products of identity and all-ones blocks -- underpin the structure of Butterfly and Monarch matrices and offer the promise of more efficient models. However, existing GPU kernels for KS matrix multiplication suffer from high data movement costs, with up to 50% of time spent on memory-bound tensor permutations. We propose a fused, output-stationary GPU kernel that eliminates these overheads, reducing global memory traffic threefold. Across 600 KS patterns, our kernel achieves in FP32 a median speedup of x1.4 and lowers energy consumption by 15%. A simple heuristic based on KS pattern parameters predicts when our method outperforms existing ones. We release all code at github.com/PascalCarrivain/ksmm, including a PyTorch-compatible KSLinear layer, and demonstrate in FP32 end-to-end latency reductions of up to 22% in ViT-S/16 and 16% in GPT-2 medium.
Calibrated Physics-Informed Uncertainty Quantification
Venue: Conference ICML 2025
Year: 2025

Simulating complex physical systems is crucial for understanding and predicting phenomena across diverse fields, such as fluid dynamics and heat transfer, as well as plasma physics and structural mechanics. Traditional approaches rely on solving partial differential equations (PDEs) using numerical methods, which are computationally expensive and often prohibitively slow for real-time applications or large-scale simulations. Neural PDEs have emerged as efficient alternatives to these costly numerical solvers, offering significant computational speed-ups. However, their lack of robust uncertainty quantification (UQ) limits deployment in critical applications. We introduce a model-agnostic, physics-informed conformal prediction (CP) framework that provides guaranteed uncertainty estimates without requiring labelled data. By utilising a physics-based approach, we can quantify and calibrate the model's inconsistencies with the physics rather than the uncertainty arising from the data. Our approach utilises convolutional layers as finite-difference stencils and leverages physics residual errors as nonconformity scores, enabling data-free UQ with marginal and joint coverage guarantees across prediction domains for a range of complex PDEs. We further validate the efficacy of our method on neural PDE models for plasma modelling and shot design in fusion reactors.