We propose a new calibration method for survival models based on the Kolmogorov-Smirnov (KS) metric. Existing approaches--including conformal prediction, D-calibration, and Kaplan-Meier (KM)-based methods--often rely on heuristic binning or additional nonparametric estimators, which undermine their adaptability to continuous-time settings and complex model outputs. To address these limitations, we introduce a streamlined KS metric-based post-processing framework (KSP) that calibrates survival predictions without relying on discretization or KM estimation. This design enhances flexibility and broad applicability. We conduct extensive experiments on diverse real-world datasets using a variety of survival models. Empirical results demonstrate that our method consistently improves calibration performance over existing methods while maintaining high predictive accuracy. We also provide a theoretical analysis of the KS metric and discuss extensions to in-processing settings.

In recent years, diffusion models trained on equilibrium molecular distributions have proven effective for sampling biomolecules. Beyond direct sampling, the score of such a model can also be used to derive the forces that act on molecular systems. However, while classical diffusion sampling usually recovers the training distribution, the corresponding energy-based interpretation of the learned score is often inconsistent with this distribution, even for low-dimensional toy systems. We trace this inconsistency to inaccuracies of the learned score at very small diffusion timesteps, where the model must capture the correct evolution of the data distribution. In this regime, diffusion models fail to satisfy the Fokker-Planck equation, which governs the evolution of the score. We interpret this deviation as one source of the observed inconsistencies and propose an energy-based diffusion model with a Fokker-Planck-derived regularization term to enforce consistency. We demonstrate our approach by sampling and simulating multiple biomolecular systems, including fast-folding proteins, and by introducing a state-of-the-art transferable Boltzmann emulator for dipeptides that supports simulation and achieves improved consistency and efficient sampling.

Vision foundation models achieve remarkable performance but are only available in a limited set of pre-determined sizes, forcing sub-optimal deployment choices under real-world constraints. We introduce SnapViT: single-shot network approximation for pruned Vision Transformers, a new post-pretraining structured pruning method that enables elastic inference across a continuum of compute budgets. Our approach efficiently combines gradient information with cross-network structure correlations, approximated via an evolutionary algorithm, does not require labeled data, generalizes to models without a classification head, and is retraining-free. Experiments on DINO, SigLIPv2, DeIT, and AugReg models demonstrate superior performance over state-of-the-art methods across various sparsities, requiring less than five minutes on a single A100 GPU to generate elastic models that can be adjusted to any computational budget. Our key contributions include an efficient pruning strategy for pretrained Vision Transformers, a novel evolutionary approximation of Hessian off-diagonal structures, and a self-supervised importance scoring mechanism that maintains strong performance without requiring retraining or labels. Code and pruned models are available at: https://elastic.ashita.nl/

Understanding representational similarity between neural recordings and computational models is essential for neuroscience, yet remains challenging to measure reliably due to the constraints on the number of neurons that can be recorded simultaneously. In this work, we apply tools from Random Matrix Theory to investigate how such limitations affect similarity measures, focusing on Centered Kernel Alignment (CKA) and Canonical Correlation Analysis (CCA). We propose an analytical framework for representational similarity analysis that relates measured similarities to the spectral properties of the underlying representations. We demonstrate that neural similarities are systematically underestimated under finite neuron sampling, mainly due to eigenvector delocalization. Moreover, for power-law population spectra, we show that the number of localized eigenvectors scales as the square root of the number of recorded neurons, providing a simple rule of thumb for practitioners. To overcome sampling bias, we introduce a denoising method to infer population-level similarity, enabling accurate analysis even with small neuron samples. Theoretical predictions are validated on synthetic and real datasets, offering practical strategies for interpreting neural data under finite sampling constraints.

Graphical user interface (GUI) grounding, the ability to map natural language instructions to specific actions on graphical user interfaces, remains a critical bottleneck in computer use agent development. Current benchmarks oversimplify grounding tasks as short referring expressions, failing to capture the complexity of real-world interactions that require software commonsense, layout understanding, and fine-grained manipulation capabilities. To address these limitations, we introduce OSWORLD-G, a comprehensive benchmark comprising 564 finely annotated samples across diverse task types including text matching, element recognition, layout understanding, and precise manipulation. Additionally, we synthesize and release the largest computer use grounding dataset JEDI, which contains 4 million examples through multi-perspective decoupling of tasks. Our multi-scale models trained on JEDI demonstrate its effectiveness by outperforming existing approaches on ScreenSpot-v2, ScreenSpot-Pro, and our OSWORLD-G. Furthermore, we demonstrate that improved grounding with JEDI directly enhances agentic capabilities of general foundation models on complex computer tasks with state-of-the-art performance, improving from 23% to 51% on OSWorld. Through detailed ablation studies, we identify key factors contributing to grounding performance and verify that combining specialized data for different interface elements enables compositional generalization to novel interfaces.

Data selection improves computational efficiency by choosing informative subsets of training samples. However, existing methods ignore the compute budget, treating data selection and importance evaluation independently of compute budget constraints. Yet empirical studies show no algorithm can consistently outperform others (or even random selection) across varying budgets. We therefore argue that compute budget must be integral to data-selection strategies, since different budgets impose distinct requirements on data quantity, quality, and distribution for effective training. To this end, we propose a novel Computational budget-Aware Data Selection (CADS) method and naturally formulate it into a bilevel optimization framework, where the inner loop trains the model within the constraints of the computational budget on some selected subset of training data, while the outer loop optimizes data selection based on model evaluation.

Estimating agent pose and 3D scene structure from multi-camera rigs is a central task in embodied AI applications such as autonomous driving. Recent learned approaches such as DUSt3R have shown impressive performance in multiview settings. However, these models treat images as unstructured collections, limiting effectiveness in scenarios where frames are captured from synchronized rigs with known or inferable structure. To this end, we introduce Rig3R, a generalization of prior multiview reconstruction models that incorporates rig structure when available, and learns to infer it when not. Rig3R conditions on optional rig metadata including camera IDs, timestamp, and rig calibrations to develop a rig-aware latent space that remains robust to missing information.

Large language models (LLMs) have achieved state-of-the-art performance in a variety of tasks, but remain largely opaque in terms of their internal mechanisms. Understanding these mechanisms is crucial to improve their reasoning abilities. Drawing inspiration from the interplay between neural processes and human cognition, we propose a novel interpretability framework to systematically analyze the roles and behaviors of attention heads, which are key components of LLMs. We introduce CogQA, a dataset that decomposes complex questions into step-by-step subquestions with a chain-of-thought design, each associated with specific cognitive functions such as retrieval or logical reasoning. By applying a multi-class probing method, we identify the attention heads responsible for these functions. Our analysis across multiple LLM families reveals that attention heads exhibit functional specialization, characterized as cognitive heads. These cognitive heads exhibit several key properties: they are universally sparse, and vary in number and distribution across different cognitive functions, and they display interactive and hierarchical structures. We further show that cognitive heads play a vital role in reasoning tasks--removing them leads to performance degradation, while augmenting them enhances reasoning accuracy. These insights offer a deeper understanding of LLM reasoning and suggest important implications for model design, training and fine-tuning strategies.

We introduce MOSDT, the first algorithm designed for multi-agent offline safe reinforcement learning (MOSRL), alongside MOSDB, the first dataset and benchmark for this domain. Different from most existing knowledge distillation-based multiagent RL methods, we propose policy self-distillation (PSD) with a new global information reconstruction scheme by fusing the observation features of all agents, streamlining training and improving parameter efficiency. We adopt full parameter sharing across agents, significantly slashing parameter count and boosting returns up to 38.4-fold by stabilizing training. We propose a new plug-and-play cost binary embedding (CBE) module, which binarizes cumulative costs as safety signals and embeds the signals into return features for efficient information aggregation. On the strong MOSDB benchmark, MOSDT achieves state-of-the-art (SOTA) returns in 14 out of 18 tasks (across all base environments including MuJoCo, Safety Gym, and Isaac Gym) while ensuring complete safety, with only 65%of the execution parameter count of a SOTA single-agent offline safe RL method CDT.

Neural networks are valuable intellectual property due to the significant computational cost, expert labor, and proprietary data involved in their development. Consequently, protecting their parameters is critical not only for maintaining a competitive advantage but also for enhancing the model's security and privacy. Prior works have demonstrated the growing capability of cryptanalytic attacks to scale to deeper models. In this paper, we present the first defense mechanism against cryptanalytic parameter extraction attacks. Our key insight is to eliminate the neuron uniqueness necessary for these attacks to succeed. We achieve this by a novel, extraction-aware training method.