Flow and diffusion-based models have emerged as powerful tools for scientific applications, particularly for sampling non-normalized probability distributions, as exemplified by Boltzmann Generators (BGs). A critical challenge in deploying these models is their reliance on sample likelihood computations, which scale prohibitively with system size n, often rendering them infeasible for large-scale problems. To address this, we introduce HollowFlow, a flow-based generative model leveraging a novel non-backtracking graph neural network (NoBGNN). By enforcing a block-diagonal Jacobian structure, HollowFlow likelihoods are evaluated with a constant number of backward passes in n, yielding speed-ups of up to O(n2): a significant step towards scaling BGs to larger systems. Crucially, our framework generalizes: any equivariant GNN or attention-based architecture can be adapted into a NoBGNN.

We introduce PartCrafter, the first structured 3D generative model that jointly synthesizes multiple semantically meaningful and geometrically distinct 3D meshes from a single RGB image. Unlike existing methods that either produce monolithic 3D shapes or follow two-stage pipelines, i.e. first segmenting an image and then reconstructing each segment, PartCrafter adopts a unified, compositional generation architecture that does not rely on pre-segmented inputs.

Proportional fairness criteria inspired by democratic ideals of proportional representation have received growing attention in the clustering literature. Prior work has investigated them in two separate paradigms. Chen et al. [1] study centroid clustering, in which each data point's loss is determined by its distance to a representative point (centroid) chosen in its cluster. Caragiannis et al. [2] study non-centroid clustering, in which each data point's loss is determined by its maximum distance to any other data point in its cluster. We generalize both paradigms to introduce semi-centroid clustering, in which each data point's loss is a combination of its centroid and non-centroid losses, and study two proportional fairness criteria--the core, and its relaxation, fully justified representation (FJR). Our main result is a novel algorithm which achieves a constant approximation to the core, in polynomial time, even when the distance metrics used for centroid and non-centroid loss measurements are different. We also derive improved results for more restricted loss functions and the weaker FJR criterion, and establish lower bounds in each case.

Each row presents an example with overlapping instances, and image captions are shown below. More examples and more detailed failure descriptions can be found in Appendix C. in controllable image generation [Li et al., 2023b, Zhang et al., 2023]. A recent line of work proposes generating images conditioned on layouts, commonly referred to as Layout-to-Image (L2I) generation, which allows users to directly specify spatial locations [Xie et al., 2023b, Wang et al., 2024b, Li et al., 2023b] and object counts [Binyamin et al., 2024, Yang et al., 2023] in the generated outputs. While existing frameworks [Xie et al., 2023b, Wang et al., 2024b, Li et al., 2023b] can achieve satisfactory spatial and numerical control over image generation, these approaches fail to generate distinct, coherent objects when multiple bounding boxes overlap in layout and their associated categories are semantically similar. As illustrated in Figure 2, such scenarios lead to artifacts including object blending, spatial ambiguity, and visual distortion.

AI research agents are demonstrating great potential to accelerate scientific progress by automating the design, implementation, and training of machine learning models. We focus on methods for improving agents' performance on MLE-bench, a challenging benchmark where agents compete in Kaggle competitions to solve real-world machine learning problems. We formalize AI research agents as search policies that navigate a space of candidate solutions, iteratively modifying them using operators. By designing and systematically varying different operator sets and search policies (Greedy, MCTS, Evolutionary), we show that their interplay is critical for achieving high performance. Our best pairing of search strategy and operator set achieves a state-of-the-art result on MLE-bench lite, increasing the success rate of achieving a Kaggle medal from 39.6 % to 47.7 %. Our investigation underscores the importance of jointly considering the search strategy, operator design, and evaluation methodology in advancing automated machine learning.

We study the problem of learning a neural sampler to generate samples from discrete state spaces where the target probability mass function π e U is known up to a normalizing constant, which is an important task in fields such as statistical physics, machine learning, combinatorial optimization, etc. To better address this challenging task when the state space has a large cardinality and the distribution is multi-modal, we propose Masked Diffusion Neural Sampler (MDNS), a novel framework for training discrete neural samplers by aligning two path measures through a family of learning objectives, theoretically grounded in the stochastic optimal control of the continuous-time Markov chains. We validate the efficiency and scalability of MDNS through extensive experiments on various distributions with distinct statistical properties, where MDNS learns to accurately sample from the target distributions despite the extremely high problem dimensions and outperforms other learning-based baselines by a large margin. A comprehensive study of ablations and extensions is also provided to demonstrate the efficacy and potential of the proposed framework.

Reference-driven image completion, which restores missing regions in a target view using additional images, is particularly challenging when the target view differs significantly from the references. Existing generative methods rely solely on diffusion priors and, without geometric cues such as camera pose or depth, often produce misaligned or implausible content. We propose GeoComplete, a novel framework that incorporates explicit 3D structural guidance to enforce geometric consistency in the completed regions, setting it apart from prior image-only approaches. GeoComplete introduces two key ideas: conditioning the diffusion process on projected point clouds to infuse geometric information, and applying target-aware masking to guide the model toward relevant reference cues. The framework features a dual-branch diffusion architecture.

Recent advancements in Vision-Language Models (VLMs) have enabled GUI agents to leverage visual features for interface understanding and operation in the digital world. However, limited research has addressed the interpretation and interaction with control panels in real-world settings. To bridge this gap, we propose the Panel Understanding and Operation (PUO) benchmark, comprising annotated panel images from appliances and associated vision-language instruction pairs. Experimental results on the benchmark demonstrate significant performance disparities between zero-shot and fine-tuned VLMs, revealing the lack of PUOspecific capabilities in existing language models. Furthermore, we introduce a Privacy-Preserving Framework (PPF) to address privacy concerns in cloud-based panel parsing and reasoning. PPF employs a dual-stage architecture, performing panel understanding on edge devices while delegating complex reasoning to cloudbased LLMs. Although this design introduces a performance trade-off due to edge model limitations, it eliminates the transmission of raw visual data, thereby mitigating privacy risks. Overall, this work provides foundational resources and methodologies for advancing interactive human-machine systems and robotic field in panel-centric applications.

Reasoning capability is pivotal for Large Language Models (LLMs) to solve complex tasks, yet achieving reliable and scalable reasoning remains challenging. While Chain-of-Thought (CoT) prompting has become a mainstream approach, existing methods often suffer from uncontrolled generation, insufficient quality, and limited diversity in reasoning paths. Recent efforts leverage code to enhance CoT by grounding reasoning in executable steps, but such methods are typically constrained to predefined mathematical problems, hindering scalability and generalizability. In this work, we propose Caco(Code-Assisted Chain-of-ThOught), a novel framework that automates the synthesis of high-quality, verifiable, and diverse instruction-CoT reasoning data through code-driven augmentation.

Large language models (LLMs) frequently generate hallucinations--content that deviates from factual accuracy or provided context--posing challenges for diagnosis due to the complex interplay of underlying causes. This paper introduces a subsequence association framework to systematically trace and understand hallucinations. Our key insight is that hallucinations arise when dominant hallucinatory associations outweigh faithful ones. Through theoretical and empirical analyses, we demonstrate that decoder-only transformers effectively function as subsequence embedding models, with linear layers encoding input-output associations. We propose a tracing algorithm that identifies causal subsequences by analyzing hallucination probabilities across randomized input contexts. Experiments show our method outperforms standard attribution techniques in identifying hallucination causes and aligns with evidence from the model's training corpus. This work provides a unified perspective on hallucinations and a robust framework for their tracing and analysis.