Deep Learning
Towards Generalizable Multi-Policy Optimization with Self-Evolution for Job Scheduling
Reinforcement Learning (RL) has shown promising results in solving Job Scheduling Problems (JSPs), automatically deriving powerful dispatching rules from data without relying on expert knowledge. However, most RL-based methods train only a single decision-maker, which limits exploration capability and leaves significant room for performance improvement. Moreover, designing reward functions for different JSP variants remains a challenging and labor-intensive task. To address these limitations, we introduce a novel and generic learning framework that optimizes multiple policies sharing a common objective and a single neural network, while enabling each policy to learn specialized and diverse strategies. The model optimization process is fully guided by a self-labeling manner, eliminating the need for reward functions. In addition, we develop a training scheme that adaptively controls the imitation intensity to reflect the quality of self-labels. Experimental results show that our method effectively addresses the aforementioned challenges and significantly outperforms state-of-the-art RL methods across six JSP variants. Furthermore, our approach also demonstrates strong performance on other combinatorial optimization problems, highlighting its versatility beyond JSPs.
KSP: Kolmogorov-Smirnov metric-based Post-Hoc Calibration for Survival Analysis
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.
Consistent Sampling and Simulation: Molecular Dynamics with Energy-Based Diffusion Models
Michael Plainer, Hao Wu, Leon Klein, Stephan Gรผnnemann, Frank Noรฉ
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.
Elastic ViTs from Pretrained Models without Retraining
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/
Spectral Analysis of Representational Similarity with Limited Neurons
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.
Learning Generalizable Shape Completion with SIM(3) Equivariance
This leaks pose and scale cues that networks may exploit to memorize absolute positions rather than inferring intrinsic geometry. When such alignment is absent in real data, performance collapses. We argue that robust generalization demands architectural equivariance to the similarity group, SIM(3), so the model remains agnostic to pose and scale. Following this principle, we introduce the first SIM(3)-equivariant shape completion network, whose modular layers successively canonicalize features, reason over similarity-invariant geometry, and restore the original frame. Under a de-biased evaluation protocol that removes the hidden cues, our model outperforms both equivariant and augmentation baselines on the PCN benchmark. It also sets new cross-domain records on real driving and indoor scans, lowering minimal matching distance on KITTI by 17%and Chamfer distance โ1on OmniObject3D by 14%. Perhaps surprisingly, ours under the stricter protocol still outperforms competitors under their biased settings. These results establish full SIM(3) equivariance as an effective route to truly generalizable shape completion.
WorldEmbeddingVLAInstructionImageVLAActionImage/Video Generation InstructionImagePolicyVLAInstructionImageAction InstructionImageActionAction(a)(b)(c)(d)Dream Queries
Recent advances in vision-language-action (VLA) models have shown promise in integrating image generation with action prediction to improve generalization and reasoning in robot manipulation. However, existing methods are limited to challenging image-based forecasting, which suffers from redundant information and lacks comprehensive and critical world knowledge, including dynamic, spatial and semantic information. To address these limitations, we propose DreamVLA, a novel VLA framework that integrates comprehensive world knowledge forecasting to enable inverse dynamics modeling, thereby establishing a perceptionprediction-action loop for manipulation tasks. Specifically, DreamVLA introduces a dynamic-region-guided world knowledge prediction, integrated with the spatial and semantic cues, which provide compact yet comprehensive representations for action planning.
Scaling Computer-Use Grounding via User Interface Decomposition and Synthesis
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.
Computational Budget Should Be Considered in Data Selection
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.
ACT as Human: Multimodal Large Language Model Data Annotation with Critical Thinking
Supervised learning relies on high-quality labeled data, but obtaining such data through human annotation is both expensive and time-consuming. Recent work explores using large language models (LLMs) for annotation, but LLM-generated labels still fall short of human-level quality. To address this problem, we propose the Annotation with Critical Thinking (ACT) data pipeline, where LLMs serve not only as annotators but also as judges to critically identify potential errors. Human effort is then directed towards reviewing only the most "suspicious" cases, significantly improving the human annotation efficiency. Our major contributions are as follows: (1) ACT is applicable to a wide range of domains, including natural language processing (NLP), computer vision (CV), and multimodal understanding, by leveraging multimodal-LLMs (MLLMs).