OpenRaiser/Intern-Atlas huggingface dataset:
I/O complexity and pebble games with partial computations
Venue: arXiv cs.DS 2026
Year: 2026

Optimizing data movements during program executions is essential for achieving high performance in modern computing systems. This has been classically modeled with the Red-Blue Pebble Game and its variants. In existing models, it is typically assumed that the number of red pebbles, i.e., the size of the fast memory, is larger than the maximum in-degree in the computational directed acyclic graph (DAG). Graphs that do not satisfy this constraint need to be first transformed appropriately, which is not a trivial task for general graphs. In this work we propose a Pebble Game variant to model DAGs with arbitrary in-degrees, by allowing partial computations. In the new model, we show that it is NP-complete to decide whether there exists an optimal pebbling strategy with cost $k$, even for single-level DAGs and when only two words fit in the fast memory. Approximation algorithms for special cases are also outlined.
Environment as Policy: Learning to Race in Unseen Tracks
Venue: arXiv cs.RO 2026
Year: 2026

Reinforcement learning (RL) has achieved outstanding success in complex robot control tasks, such as drone racing, where the RL agents have outperformed human champions in a known racing track. However, these agents fail in unseen track configurations, always requiring complete retraining when presented with new track layouts. This work aims to develop RL agents that generalize effectively to novel track configurations without retraining. The naive solution of training directly on a diverse set of track layouts can overburden the agent, resulting in suboptimal policy learning as the increased complexity of the environment impairs the agent's ability to learn to fly. To enhance the generalizability of the RL agent, we propose an adaptive environment-shaping framework that dynamically adjusts the training environment based on the agent's performance. We achieve this by leveraging a secondary RL policy to design environments that strike a balance between being challenging and achievable, allowing the agent to adapt and improve progressively. Using our adaptive environment shaping, one single racing policy efficiently learns to race in diverse challenging tracks. Experimental results validated in both simulation and the real world show that our method enables drones to successfully fly complex and unseen race tracks, outperforming existing environment-shaping techniques. Project page: http://rpg.ifi.uzh.ch/env_as_policy.
Dataset-Driven Channel Masks in Transformers for Multivariate Time Series
Venue: arXiv cs.LG 2026
Year: 2026

Recent advancements in foundation models have been successfully extended to the time series (TS) domain, facilitated by the emergence of large-scale TS datasets. However, previous efforts have primarily Capturing channel dependency (CD) is essential for modeling multivariate time series (TS), and attention-based methods have been widely employed for this purpose. Nonetheless, these methods primarily focus on modifying the architecture, often neglecting the importance of dataset-specific characteristics. In this work, we introduce the concept of partial channel dependence (PCD) to enhance CD modeling in Transformer-based models by leveraging dataset-specific information to refine the CD captured by the model. To achieve PCD, we propose channel masks (CMs), which are integrated into the attention matrices of Transformers via element-wise multiplication. CMs consist of two components: 1) a similarity matrix that captures relationships between the channels, and 2) dataset-specific and learnable domain parameters that refine the similarity matrix. We validate the effectiveness of PCD across diverse tasks and datasets with various backbones. Code is available at this repository: https://github.com/YonseiML/pcd.
There and Back Again: On the relation between Noise and Image Inversions in Diffusion Models
Venue: arXiv cs.CV 2026
Year: 2026

Diffusion Models achieve state-of-the-art performance in generating new samples but lack a low-dimensional latent space that encodes the data into editable features. Inversion-based methods address this by reversing the denoising trajectory, transferring images to their approximated starting noise. In this work, we thoroughly analyze this procedure and focus on the relation between the initial noise, the generated samples, and their corresponding latent encodings obtained through the DDIM inversion. First, we show that latents exhibit structural patterns in the form of less diverse noise predicted for smooth image areas (e.g., plain sky). Through a series of analyses, we trace this issue to the first inversion steps, which fail to provide accurate and diverse noise. Consequently, the DDIM inversion space is notably less manipulative than the original noise. We show that prior inversion methods do not fully resolve this issue, but our simple fix, where we replace the first DDIM Inversion steps with a forward diffusion process, successfully decorrelates latent encodings and enables higher quality editions and interpolations. The code is available at https://github.com/luk-st/taba.
Minibatch Optimal Transport and Perplexity Bound Estimation in Discrete Flow Matching
Venue: arXiv cs.LG 2026
Year: 2026

Discrete flow matching, a recent framework for modeling categorical data, has shown competitive performance with autoregressive models. However, unlike continuous flow matching, the rectification strategy cannot be applied due to the stochasticity of discrete paths, necessitating alternative methods to minimize state transitions. We propose a dynamic-optimal-transport-like minimization objective and derive its Kantorovich formulation for discrete flows with convex interpolants, where transport cost depends solely on inter-state similarity and can be optimized via minibatch strategies. We show that such methods can reduce the number of transitions up to 32 times (1024 to 32) to reach the same generative perplexity without compromising diversity. Additionally, path nondeterminism in discrete flows precludes an instantaneous change-of-variables analogue, preventing precise probability estimation available to continuous flows. We therefore propose two upper bounds on perplexity, enabling principled training, evaluation and model comparison. Finally, we introduce Multimask Flows which outperform masked flows in generative perplexity without compromising diversity, particularly when utilizing minibatch Optimal Transport.
DNN Modularization via Activation-Driven Training
Venue: arXiv cs.LG 2026
Year: 2026

Deep Neural Networks (DNNs) tend to accrue technical debt and suffer from significant retraining costs when adapting to evolving requirements. Modularizing DNNs offers the promise of improving their reusability. Previous work has proposed techniques to decompose DNN models into modules both during and after training. However, these strategies yield several shortcomings, including significant weight overlaps and accuracy losses across modules, restricted focus on convolutional layers only, and added complexity and training time by introducing auxiliary masks to control modularity. In this work, we propose MODA, an activation-driven modular training approach. MODA promotes inherent modularity within a DNN model by directly regulating the activation outputs of its layers based on three modular objectives: intra-class affinity, inter-class dispersion, and compactness. MODA is evaluated using three well-known DNN models and five datasets with varying sizes. This evaluation indicates that, compared to the existing state-of-the-art, using MODA yields several advantages: (1) MODA accomplishes modularization with 22% less training time; (2) the resultant modules generated by MODA comprise up to 24x fewer weights and 37x less weight overlap while (3) preserving the original model's accuracy without additional fine-tuning; in module replacement scenarios, (4) MODA improves the accuracy of a target class by 12% on average while ensuring minimal impact on the accuracy of other classes.
A High-Resolution, US-scale Digital Similar of Interacting Livestock, Wild Birds, and Human Ecosystems with Applications to Multi-host Epidemic Spread
Venue: arXiv cs.CE 2026
Year: 2026

One Health issues, such as the spread of highly pathogenic avian influenza~(HPAI), present significant challenges at the human-animal-environmental interface. Recent H5N1 outbreaks underscore the need for comprehensive modeling efforts that capture the complex interactions between various entities in these interconnected ecosystems. To support such efforts, we develop a methodology to construct a synthetic spatiotemporal gridded dataset of livestock production and processing, human population, and wild birds for the contiguous United States, called a \emph{digital similar}. This representation is a result of fusing diverse datasets using statistical and optimization techniques, followed by extensive verification and validation. The livestock component includes farm-level representations of four major livestock types -- cattle, poultry, swine, and sheep -- including further categorization into subtypes such as dairy cows, beef cows, chickens, turkeys, ducks, etc. Weekly abundance data for wild bird species identified in the transmission of avian influenza are included. Gridded distributions of the human population, along with demographic and occupational features, capture the placement of agricultural workers and the general population. We demonstrate how the digital similar can be applied to evaluate spillover risk to dairy cows and poultry from wild bird population, then validate these results using historical H5N1 incidences. The resulting subtype-specific spatiotemporal risk maps identify hotspots of high risk from H5N1 infected wild bird population to dairy cattle and poultry operations, thus guiding surveillance efforts.
One protein is all you need
Venue: arXiv cs.LG 2026
Year: 2026

Generalization beyond training data remains a central challenge in machine learning for biology. A common way to enhance generalization is self-supervised pre-training on large datasets. However, aiming to perform well on all possible proteins can limit a model's capacity to excel on any specific one, whereas experimentalists typically need accurate predictions for individual proteins they study, often not covered in training data. To address this limitation, we propose a method that enables self-supervised customization of protein language models to one target protein at a time, on the fly, and without assuming any additional data. We show that our Protein Test-Time Training (ProteinTTT) method consistently enhances generalization across different models, their sizes, and datasets. ProteinTTT improves structure prediction for challenging targets, achieves new state-of-the-art results on protein fitness prediction, and enhances function prediction on two tasks. Through two challenging case studies, we also show that customization via ProteinTTT achieves more accurate antibody-antigen loop modeling and enhances 19% of structures in the Big Fantastic Virus Database, delivering improved predictions where general-purpose AlphaFold2 and ESMFold struggle.
Defining and Evaluating Physical Safety for Large Language Models
Venue: arXiv cs.LG 2026
Year: 2026

Large Language Models (LLMs) are increasingly used to control robotic systems such as drones, but their risks of causing physical threats and harm in real-world applications remain unexplored. Our study addresses the critical gap in evaluating LLM physical safety by developing a comprehensive benchmark for drone control. We classify the physical safety risks of drones into four categories: (1) human-targeted threats, (2) object-targeted threats, (3) infrastructure attacks, and (4) regulatory violations. Our evaluation of mainstream LLMs reveals an undesirable trade-off between utility and safety, with models that excel in code generation often performing poorly in crucial safety aspects. Furthermore, while incorporating advanced prompt engineering techniques such as In-Context Learning and Chain-of-Thought can improve safety, these methods still struggle to identify unintentional attacks. In addition, larger models demonstrate better safety capabilities, particularly in refusing dangerous commands. Our findings and benchmark can facilitate the design and evaluation of physical safety for LLMs. The project page is available at huggingface.co/spaces/TrustSafeAI/LLM-physical-safety.
Conditional Complexity Hardness: Monotone Circuit Size, Matrix Rigidity, and Tensor Rank
Venue: arXiv cs.CC 2026
Year: 2026

Proving complexity lower bounds remains a challenging task: we only know how to prove conditional uniform lower bounds and nonuniform lower bounds in restricted circuit models. Williams (STOC 2010) showed how to derive nonuniform lower bounds from uniform upper bounds: by designing a fast algorithm for checking satisfiability of circuits, one gets a lower bound for this circuit class. Since then, a number of results of this kind have been proved. For example, Jahanjou et al. (ICALP 2015) and Carmosino et al. (ITCS 2016) proved that if NSETH fails, then $\text{E}^{\text{NP}}$ has series-parallel circuit size $ω(n)$. One can also derive nonuniform lower bounds from nondeterministic uniform lower bounds. Recent examples include lower bounds on tensor rank, arithmetic circuit size, $\text{ETHR} \circ \text{ETHR}$ circuit size under assumptions that various problems (like TSP, MAX-3-SAT, SAT, Set Cover) cannot be solved faster than in $2^n$ time. In this paper, we continue developing this line of research and show how uniform nondeterministic lower bounds can be used to construct generators of various types of combinatorial objects: Boolean functions of high circuit size, matrices of high rigidity, and tensors of high rank. Specifically, we prove the following. If $k$-SAT cannot be solved in input-oblivious co-nondeterministic time $O(2^{(1/2+\varepsilon)n})$, then there exists a monotone Boolean function family in coNP of monotone circuit size $2^{Ω(n / \log n)}$. This implies win-win circuit lower bounds: either $\text{E}^{\text{NP}}$ requires series-parallel circuits of size $ω(n)$ or coNP requires monotone circuits of size $2^{Ω(n / \log n)}$. If MAX-3-SAT cannot be solved in co-nondeterministic time $O(2^{(1 - \varepsilon)n})$, then there exist small families of matrices with high rigidity as well as small families of three-dimensional tensors of high rank.
Hypergraphs as Weighted Directed Self-Looped Graphs: Spectral Properties, Clustering, Cheeger Inequality
Venue: arXiv cs.SI 2026
Year: 2026

Hypergraphs naturally arise when studying group relations and have been widely used in the field of machine learning. To the best of our knowledge, the recently proposed edge-dependent vertex weights (EDVW) modeling is one of the most generalized modeling methods of hypergraphs, i.e., most existing hypergraph conceptual modeling methods can be generalized as EDVW hypergraphs without information loss. However, the relevant algorithmic developments on EDVW hypergraphs remain nascent: compared to the spectral theories for graphs, its formulations are incomplete, the spectral clustering algorithms are not well-developed, and the hypergraph Cheeger Inequality is not well-defined. To this end, deriving a unified random walk-based formulation, we propose our definitions of hypergraph Rayleigh Quotient, NCut, boundary/cut, volume, and conductance, which are consistent with the corresponding definitions on graphs. Then, we prove that the normalized hypergraph Laplacian is associated with the NCut value, which inspires our proposed HyperClus-G algorithm for spectral clustering on EDVW hypergraphs. Finally, we prove that HyperClus-G can always find an approximately linearly optimal partitioning in terms of both NCut and conductance. Additionally, we provide extensive experiments to validate our theoretical findings from an empirical perspective. Code of HyperClus-G is available at https://github.com/iDEA-iSAIL-Lab-UIUC/HyperClus-G.
AutoGameUI: Constructing High-Fidelity GameUI via Multimodal Correspondence Matching
Venue: arXiv cs.HC 2026
Year: 2026

Game UI development is essential to the game industry. However, the traditional workflow requires substantial manual effort to integrate pairwise UI and UX designs into a cohesive game user interface (GameUI). The inconsistency between the aesthetic UI design and the functional UX design typically results in mismatches and inefficiencies. To address the issue, we present an automatic system, AutoGameUI, for efficiently and accurately constructing GameUI. The system centers on a two-stage multimodal learning pipeline to obtain the optimal correspondences between UI and UX designs. The first stage learns the comprehensive representations of UI and UX designs from multimodal perspectives. The second stage incorporates grouped cross-attention modules with constrained integer programming to estimate the optimal correspondences through top-down hierarchical matching. The optimal correspondences enable the automatic GameUI construction. We create the GAMEUI dataset, comprising pairwise UI and UX designs from real-world games, to train and validate the proposed method. Besides, an interactive web tool is implemented to ensure high-fidelity effects and facilitate human-in-the-loop construction. Extensive experiments on the GAMEUI and RICO datasets demonstrate the effectiveness of our system in maintaining consistency between the constructed GameUI and the original designs. When deployed in the workflow of several mobile games, AutoGameUI achieves a 3$\times$ improvement in time efficiency, conveying significant practical value for game UI development.
Human-in-the-Loop Feature Selection Using Interpretable Kolmogorov-Arnold Network-based Double Deep Q-Network
Venue: arXiv cs.LG 2026
Year: 2026

Feature selection is critical for improving the performance and interpretability of machine learning models, particularly in high-dimensional spaces where complex feature interactions can reduce accuracy and increase computational demands. Existing approaches often rely on static feature subsets or manual intervention, limiting adaptability and scalability. However, dynamic, per-instance feature selection methods and model-specific interpretability in reinforcement learning remain underexplored. This study proposes a human-in-the-loop (HITL) feature selection framework integrated into a Double Deep Q-Network (DDQN) using a Kolmogorov-Arnold Network (KAN). Our novel approach leverages simulated human feedback and stochastic distribution-based sampling, specifically Beta, to iteratively refine feature subsets per data instance, improving flexibility in feature selection. The KAN-DDQN achieved notable test accuracies of 93% on MNIST and 83% on FashionMNIST, outperforming conventional MLP-DDQN models by up to 9%. The KAN-based model provided high interpretability via symbolic representation while using 4 times fewer neurons in the hidden layer than MLPs did. Comparatively, the models without feature selection achieved test accuracies of only 58% on MNIST and 64% on FashionMNIST, highlighting significant gains with our framework. We further validate scalability on CIFAR-10 and CIFAR-100, achieving up to 30% relative macro F1 improvement on MNIST and 5% on CIFAR-10, while reducing calibration error by 25%. Complexity analysis confirms real-time feasibility with latency below 1 ms and parameter counts under 0.02M. Pruning and visualization further enhanced model transparency by elucidating decision pathways. These findings present a scalable, interpretable solution for feature selection that is suitable for applications requiring real-time, adaptive decision-making with minimal human oversight.
Problem Space Transformations for Out-of-Distribution Generalisation in Behavioural Cloning
Venue: arXiv cs.RO 2026
Year: 2026

The combination of behavioural cloning and neural networks has driven significant progress in robotic manipulation. As these algorithms may require a large number of demonstrations for each task of interest, they remain fundamentally inefficient in complex scenarios, in which finite datasets can hardly cover the state space. One of the remaining challenges is thus out-of-distribution (OOD) generalisation, i.e. the ability to predict correct actions for states with a low likelihood with respect to the state occupancy induced by the dataset. This issue is aggravated when the system to control is treated as a black-box, ignoring its physical properties. This work highlights widespread properties of robotic manipulation, specifically pose equivariance and locality. We investigate the effect of the choice of problem space on OOD performance of BC policies and how transformations arising from characteristic properties of manipulation can be employed for its improvement. Through controlled, simulated and real-world experiments, we empirically demonstrate that these transformations allow behaviour cloning policies, using either standard MLP-based one-step action prediction or diffusion-based action-sequence prediction, to generalise better to certain OOD problem instances. Code is available at https://github.com/kirandoshi/pst_ood_gen.
A Two-Stage Reactive Auction Framework for the Multi-Depot Rural Postman Problem with Dynamic Vehicle Failures
Venue: arXiv cs.RO 2026
Year: 2026

Although unmanned vehicle fleets offer efficiency in transportation, logistics and inspection, their susceptibility to failures poses a significant challenge to mission continuity. We study the Multi-Depot Rural Postman Problem with Rechargeable and Reusable Vehicles (MD-RPP-RRV) with vehicle failures, where unmanned rechargeable vehicles placed at multiple depots with capacity constraints may fail while serving arc-based demands. To address unexpected vehicle breakdowns during operation, we propose a two-stage real-time rescheduling framework. First, a centralized auction quickly generates a feasible rescheduling solution; for this stage, we derive a theoretical additive bound that establishes an analytical guarantee on the worst-case rescheduling penalty. Second, a peer auction refines this baseline through a problem-specific magnetic field router for local schedule repair, utilizing parameters calibrated via sensitivity analysis to ensure controlled computational growth. We benchmark this approach against a simulated annealing metaheuristic to evaluate solution quality and execution speed. Experimental results on 257 diverse failure scenarios demonstrate that the framework achieves an average runtime reduction of over 95\% relative to the metaheuristic baseline, cutting rescheduling times from hours to seconds while maintaining high solution quality. The two-stage framework excels on large-scale instances, surpassing the centralized auction in nearly 80\% of scenarios with an average solution improvement exceeding 12\%. Moreover, it outperforms the simulated annealing mean and best results in 59\% and 28\% of scenarios, respectively, offering the robust speed-quality trade-off required for real-time mission continuity.