Solving the Hubbard model with Neural Quantum States

The rapid development of neural quantum states (NQS) has established it as a promising framework for studying quantum many-body systems. In this work, by leveraging the cutting-edge transformer-based architectures and developing highly efficient optimization algorithms, we achieve the state-of-the-art results for the doped two-dimensional (2D) Hubbard model, arguably the minimum model for high-Tc superconductivity. Interestingly, we find different attention heads in the NQS ansatz can directly encode correlations at different scales, making it capable of capturing long-range correlations and entanglements in strongly correlated systems. With these advances, we establish the half-filled stripe in the ground state of 2D Hubbard model with the next nearest neighboring hoppings, consistent with experimental observations in cuprates. Our work establishes NQS as a powerful tool for solving challenging many-fermions systems.

Diagnosing and Improving Diffusion Models by Estimating the Optimal Loss Value

Diffusion models have achieved remarkable success in generative modeling. Despite more stable training, the loss of diffusion models is not indicative of absolute data-fitting quality, since its optimal value is typically not zero but unknown, leading to confusion between large optimal loss and insufficient model capacity. In this work, we advocate the need to estimate the optimal loss value for diagnosing and improving diffusion models. We first derive the optimal loss in closed form under a unified formulation of diffusion models, and develop effective estimators for it, including a stochastic variant scalable to large datasets with proper control of variance and bias. With this tool, we unlock the inherent metric for diagnosing the training quality of mainstream diffusion model variants, and develop a more performant training schedule based on the optimal loss. Moreover, using models with 120M to 1.5B parameters, we find that the power law is better demonstrated after subtracting the optimal loss from the actual training loss, suggesting a more principled setting for investigating the scaling law for diffusion models.

The Sample Complexity of Online Strategic Decision Making with Information Asymmetry and Knowledge Transportability

Information asymmetry is a pervasive feature of multi-agent systems, especially evident in economics and social sciences. In these settings, agents tailor their actions based on private information to maximize their rewards. These strategic behaviors often introduce complexities due to confounding variables. Simultaneously, knowledge transportability poses another significant challenge, arising from the difficulties of conducting experiments in target environments. It requires transferring knowledge from environments where empirical data is more readily available. Against these backdrops, this paper explores a fundamental question in online learning: Can we employ non-i.i.d. actions to learn about confounders even when requiring knowledge transfer? We present a sample-efficient algorithm designed to accurately identify system dynamics under information asymmetry and to navigate the challenges of knowledge transfer effectively in reinforcement learning, framed within an online strategic interaction model. Our method provably achieves learning of an $\epsilon$-optimal policy with a tight sample complexity of $O(1/\epsilon^2)$.

DeformCL: Learning Deformable Centerline Representation for Vessel Extraction in 3D Medical Image

In the field of 3D medical imaging, accurately extracting and representing the blood vessels with curvilinear structures holds paramount importance for clinical diagnosis. Previous methods have commonly relied on discrete representation like mask, often resulting in local fractures or scattered fragments due to the inherent limitations of the per-pixel classification paradigm. In this work, we introduce DeformCL, a new continuous representation based on Deformable Centerlines, where centerline points act as nodes connected by edges that capture spatial relationships. Compared with previous representations, DeformCL offers three key advantages: natural connectivity, noise robustness, and interaction facility. We present a comprehensive training pipeline structured in a cascaded manner to fully exploit these favorable properties of DeformCL. Extensive experiments on four 3D vessel segmentation datasets demonstrate the effectiveness and superiority of our method. Furthermore, the visualization of curved planar reformation images validates the clinical significance of the proposed framework. We release the code in https://github.com/barry664/DeformCL

Learning from Videos for 3D World: Enhancing MLLMs with 3D Vision Geometry Priors

Previous research has investigated the application of Multimodal Large Language Models (MLLMs) in understanding 3D scenes by interpreting them as videos. These approaches generally depend on comprehensive 3D data inputs, such as point clouds or reconstructed Bird's-Eye View (BEV) maps. In our research, we advance this field by enhancing the capability of MLLMs to understand and reason in 3D spaces directly from video data, without the need for additional 3D input. We propose a novel and efficient method, the Video-3D Geometry Large Language Model (VG LLM). Our approach employs a 3D visual geometry encoder that extracts 3D prior information from video sequences. This information is integrated with visual tokens and fed into the MLLM. Extensive experiments have shown that our method has achieved substantial improvements in various tasks related to 3D scene understanding and spatial reasoning, all directly learned from video sources. Impressively, our 4B model, which does not rely on explicit 3D data inputs, achieves competitive results compared to existing state-of-the-art methods, and even surpasses the Gemini-1.5-Pro in the VSI-Bench evaluations.

Co-design of materials, structures and stimuli for magnetic soft robots with large deformation and dynamic contacts

Magnetic soft robots embedded with hard magnetic particles enable untethered actuation via external magnetic fields, offering remote, rapid, and precise control, which is highly promising for biomedical applications. However, designing such systems is challenging due to the complex interplay of magneto-elastic dynamics, large deformation, solid contacts, time-varying stimuli, and posture-dependent loading. As a result, most existing research relies on heuristics and trial-and-error methods or focuses on the independent design of stimuli or structures under static conditions. We propose a topology optimization framework for magnetic soft robots that simultaneously designs structures, location-specific material magnetization and time-varying magnetic stimuli, accounting for large deformations, dynamic motion, and solid contacts. This is achieved by integrating generalized topology optimization with the magneto-elastic material point method, which supports GPU-accelerated parallel simulations and auto-differentiation for sensitivity analysis. We applied this framework to design magnetic robots for various tasks, including multi-task shape morphing and locomotion, in both 2D and 3D. The method autonomously generates optimized robotic systems to achieve target behaviors without requiring human intervention. Despite the nonlinear physics and large design space, it demonstrates exceptional efficiency, completing all cases within minutes. This proposed framework represents a significant step toward the automatic co-design of magnetic soft robots for applications such as metasurfaces, drug delivery, and minimally invasive procedures.

UFO: A Unified Approach to Fine-grained Visual Perception via Open-ended Language Interface

Generalist models have achieved remarkable success in both language and vision-language tasks, showcasing the potential of unified modeling. However, effectively integrating fine-grained perception tasks like detection and segmentation into these models remains a significant challenge. This is primarily because these tasks often rely heavily on task-specific designs and architectures that can complicate the modeling process. To address this challenge, we present \ours, a framework that \textbf{U}nifies \textbf{F}ine-grained visual perception tasks through an \textbf{O}pen-ended language interface. By transforming all perception targets into the language space, \ours unifies object-level detection, pixel-level segmentation, and image-level vision-language tasks into a single model. Additionally, we introduce a novel embedding retrieval approach that relies solely on the language interface to support segmentation tasks. Our framework bridges the gap between fine-grained perception and vision-language tasks, significantly simplifying architectural design and training strategies while achieving comparable or superior performance to methods with intricate task-specific designs. After multi-task training on five standard visual perception datasets, \ours outperforms the previous state-of-the-art generalist models by 12.3 mAP on COCO instance segmentation and 3.3 mIoU on ADE20K semantic segmentation. Furthermore, our method seamlessly integrates with existing MLLMs, effectively combining fine-grained perception capabilities with their advanced language abilities, thereby enabling more challenging tasks such as reasoning segmentation. Code and models are available at https://github.com/nnnth/UFO.

GraphMorph: Tubular Structure Extraction by Morphing Predicted Graphs

Accurately restoring topology is both challenging and crucial in tubular structure extraction tasks, such as blood vessel segmentation and road network extraction. Diverging from traditional approaches based on pixel-level classification, our proposed method, named GraphMorph, focuses on branch-level features of tubular structures to achieve more topologically accurate predictions. GraphMorph comprises two main components: a Graph Decoder and a Morph Module. Utilizing multi-scale features extracted from an image patch by the segmentation network, the Graph Decoder facilitates the learning of branch-level features and generates a graph that accurately represents the tubular structure in this patch. The Morph Module processes two primary inputs: the graph and the centerline probability map, provided by the Graph Decoder and the segmentation network, respectively. Employing a novel SkeletonDijkstra algorithm, the Morph Module produces a centerline mask that aligns with the predicted graph. Furthermore, we observe that employing centerline masks predicted by GraphMorph significantly reduces false positives in the segmentation task, which is achieved by a simple yet effective post-processing strategy. The efficacy of our method in the centerline extraction and segmentation tasks has been substantiated through experimental evaluations across various datasets. Source code will be released soon.

Theoretical Benefit and Limitation of Diffusion Language Model

Diffusion language models have emerged as a promising approach for text generation. One would naturally expect this method to be an efficient replacement for autoregressive models since multiple tokens can be sampled in parallel during each diffusion step. However, its efficiency-accuracy trade-off is not yet well understood. In this paper, we present a rigorous theoretical analysis of a widely used type of diffusion language model, the Masked Diffusion Model (MDM), and find that its effectiveness heavily depends on the target evaluation metric. Under mild conditions, we prove that when using perplexity as the metric, MDMs can achieve near-optimal perplexity in sampling steps regardless of sequence length, demonstrating that efficiency can be achieved without sacrificing performance. However, when using the sequence error rate--which is important for understanding the "correctness" of a sequence, such as a reasoning chain--we show that the required sampling steps must scale linearly with sequence length to obtain "correct" sequences, thereby eliminating MDM's efficiency advantage over autoregressive models. Our analysis establishes the first theoretical foundation for understanding the benefits and limitations of MDMs. All theoretical findings are supported by empirical studies.

BRiTE: Bootstrapping Reinforced Thinking Process to Enhance Language Model Reasoning

Large Language Models (LLMs) have demonstrated remarkable capabilities in complex reasoning tasks, yet generating reliable reasoning processes remains a significant challenge. We present a unified probabilistic framework that formalizes LLM reasoning through a novel graphical model incorporating latent thinking processes and evaluation signals. Within this framework, we introduce the Bootstrapping Reinforced Thinking Process (BRiTE) algorithm, which works in two steps. First, it generates high-quality rationales by approximating the optimal thinking process through reinforcement learning, using a novel reward shaping mechanism. Second, it enhances the base LLM by maximizing the joint probability of rationale generation with respect to the model's parameters. Theoretically, we demonstrate BRiTE's convergence at a rate of $1/T$ with $T$ representing the number of iterations. Empirical evaluations on math and coding benchmarks demonstrate that our approach consistently improves performance across different base models without requiring human-annotated thinking processes. In addition, BRiTE demonstrates superior performance compared to existing algorithms that bootstrap thinking processes use alternative methods such as rejection sampling, and can even match or exceed the results achieved through supervised fine-tuning with human-annotated data.