arXiv:2605.15673v1 Announce Type: cross Abstract: We present a highly detailed instance segmentation model for delineating individual tree crowns in natural broadleaf forests using aerial imagery acquired by unmanned aerial vehicles (UAVs). Tree crown delineation in broadleaf forests is more challenging than in other forest types due to diversity of crown shapes and the lack of clearly defined treetops. To address this issue, we developed a deep-learning-based crown segmentation model trained on high-quality annotated crown outlines. We manually delineated 18,507 crown polygons from orthomosaic images collected across seven forests in Japan by skilled annotators, and developed a model based on Mask2Former with multiple backbone architectures. The best model achieved high segmentation performance in structurally complex broadleaf forests using only RGB imagery. This performance was maintained when applied to geographically distinct forests within Japan, as well as to biologically distinct tropical rainforests in Borneo. These results demonstrate that using a large number of high-quality annotated datasets is critical for achieving detailed and generalizable crown segmentation across diverse forest ecosystems. The developed model has been integrated into DF Scanner Pro, a software that supports practical forest monitoring using UAVs, and this implementation is expected to enable a wide range of users to analyze tree-level information in broadleaf forest from UAVs.
Science Journals
arXiv:2605.15707v1 Announce Type: cross Abstract: Whole-heart multi-compartment CT segmentation is clinically important, but standard CNNs do not explicitly enforce anatomical plausibility. Based on statistics derived from the training data, we evaluate whether lightweight explicit shape priors, implemented as shape-aware losses and spatial label distribution heatmap-guided U-Net variants, improve 3D cardiac segmentation on MM-WHS CT and WHS++. Across all experiments, a standard 3D U-Net surprisingly remained a very strong baseline, with handcrafted priors yielding at best marginal and inconsistent changes and often degrading performance. These results suggest that the baseline already captures substantial implicit anatomical regularities and that future gains will likely require more expressive learned priors rather than simple handcrafted anatomical shape constraints.
arXiv:2605.15601v1 Announce Type: new Abstract: Quantum programs often produce probability distributions rather than deterministic outputs, making verification inherently statistical and increasingly costly on real hardware. In practice, developers still frequently rely on testing with fixed shot budgets on simulators, which are simple but time-consuming and poorly suited to noisy backends. What is missing is a verification approach that is both statistically explicit and budget-aware. This paper formulates Bayesian sequential verification as a reference-based Bayesian hypothesis testing workflow in which priors are derived from explicit reference sources, such as finite-shot reference runs or ideal/statevector-based computation, and verification decisions are updated batch by batch as measurement evidence accumulates. This approach is evaluated in Qiskit on two complementary workloads: Bell-state and QAOA-MaxCut. Across both case studies, the results show that Bayesian sequential verification can substantially reduce measurement costs compared to fixed-budget baselines when the success probability of the program exceeds the target threshold. The findings position Bayesian sequential verification as a practical verification workflow for quantum programs. The approach provides a foundation for future quantum continuous-integration pipelines that require reliable, budget-aware pass/fail decisions and motivates validation on real quantum hardware.
arXiv:2605.05112v3 Announce Type: replace Abstract: Agentic reinforcement learning (RL) for software engineering spends much of its compute on stateful trajectories whose grouped binary rewards are highly skewed and weakly contrastive. We frame this as pass-rate control and show that the binary reward-side signal is strongest near a 50% rollout pass rate under four criteria: reward entropy, group-filtering survival, leave-one-out (RLOO) advantage energy under Group Relative Policy Optimization (GRPO), and success-failure pair count. We propose Prefix Sampling (PS), which replays self-generated trajectory prefixes to steer skewed groups toward this regime: successful prefixes give mostly failing groups a head start, while failing prefixes handicap mostly passing groups. Replayed states are reconstructed through the existing rollout path, and replayed tokens are masked from the loss so optimization applies only to current-policy continuations. On SWE-bench Verified, PS reaches the baseline high-score regime within evaluation variability while delivering 2.01x and 1.55x end-to-end wall-clock speedups on Qwen3-14B and Qwen3-32B; the 14B peak improves from 0.274 to 0.295. AIME 2025 experiments on 4B and 8B show the same pass-rate-control pattern, and 4B ablations attribute gains to replay, bidirectional coverage, and adaptive control.
arXiv:2605.15784v1 Announce Type: cross Abstract: How many measurements are fundamentally required to capture a signal. Shannon's information theory established the bedrock of this question in 1948, the Nyquist Shannon theorem set the first answer, and compressed sensing (CS) rewrote it in 2006 by reducing the required measurement number to M = O(Klog(N/K)) for a K sparse signal. Here, we propose quantum compressed sensing (QCS), a paradigm that reframes signal acquisition as a unitary quantum evolution. By encoding high dimensional signal information into a single quantum probe state, then introducing domain-alignment evolution,a physically realizable unitary transformation that maps the sparse basis directly onto the measurement basis. QCS executes the support-set search at the quantum level without consuming measurement trials. The logarithmic penalty vanishes, compressing the required measurement number from the classical bound to M =O(K) and reducing reconstruction from ill posed optimization to linear estimation. We experimentally validate QCS using frequency and time domain sparse signals, confirming that the measurement number scales linearly with sparsity and decouples entirely from the signal dimension. Our work provides a physical pathway toward ultimate information acquisition efficiency, with broad implications for sensing, imaging, and communication.
arXiv:2605.15487v1 Announce Type: new Abstract: Generative diffusion models can provide powerful prior probability models for inverse problems in imaging, but existing implementations suffer from two key limitations: $(i)$ the prior density is represented implicitly, and $(ii)$ they rely on likelihood approximations that introduce sampling biases. We address these challenges by introducing a new energy-based model trained for denoising with a covariance-based regularization term that enforces consistency across different measurement conditions. The trained model can compute normalized posterior densities for diverse linear inverse problems, without additional retraining or fine tuning. In addition to preserving the sampling capabilities of diffusion models, this enables previously unavailable capabilities: energy-guided adaptive sampling that adjusts schedules on-the-fly, unbiased Metropolis-Hastings correction steps, and blind estimation of the degradation operator via Bayes rule. We validate the method on multiple datasets (ImageNet, CelebA, AFHQ) and tasks (inpainting, deblurring), demonstrating competitive or superior performance to established baselines.
arXiv:2605.15800v1 Announce Type: cross Abstract: The Alliance for Open Media (AOMedia) has developed the AV2 video coding standard to supersede AV1, aiming for substantial compression efficiency gains across diverse media applications. This paper details the quality and performance evaluation methodology defined in the AV2 Common Test Conditions (CTC), which introduces new evaluation methods and content, including convex-hull-based adaptive streaming (AS) configuration, user-generated content (UGC), and extended chroma formats. We present the coding gains of the AV2 (v13.0) against the AV1 baseline. Experimental results show that AV2 achieves significant Bj{\o}ntegaard-Delta Rate (BD-rate) reductions of 29.81\% and 33.79\% for PSNR-YUV and VMAF, respectively, under random access configuration, validating the efficiency of AV2 for next-generation streaming applications.
arXiv:2605.16078v1 Announce Type: cross Abstract: Neural network surrogate models have emerged as a promising approach to model solution fields for a wide variety of boundary value problems encountered in physical modeling. Stochastic problems represent an area of particularly high interest because of the potential to significantly reduce the repeated evaluation of expensive forward models via traditional numerical solvers when conducting parametric analysis. However, many studies found in the literature primarily focus on the ability of neural network surrogate models to represent deterministic samples or mean field solutions and largely overlook surrogate model performance at the tails of the distribution. The present study examines in detail the ability of neural network surrogate models to capture the full distribution of solution fields over the entire probability space, while emphasis is placed at the tails of the distribution. Serving as a canonical problem is the heat conduction equation with a highly stochastic source term, inducing extremely large variation in the thermal solution field. Comparisons are made between a classic feed-forward fully connected network and a Deep Operator Network architecture, using both data-driven and physics-informed loss functions. Results show that the worst-case prediction errors are an order of magnitude larger than the mean field error, highlighting the importance of the outlier samples. The large errors associated with extreme samples result from the networks having to extrapolate beyond the bounds of the training data. A method for identifying these samples is presented along with a discussion of potential approaches to account of their errors. Among the models considered, the fully connected neural network trained using a weak form residual loss performs best in handling these extrapolated inputs, achieving the highest prediction accuracy for the numerically produced datasets.
arXiv:2504.09006v4 Announce Type: replace Abstract: We initiate the study of structured Stackelberg games, a novel form of strategic interaction between a leader and a follower where contextual information can be predictive of the follower's (unknown) type. Motivated by applications such as security games and AI safety, we show how this additional structure can help the leader learn a utility-maximizing policy in both the online and distributional settings. In the online setting, we first prove that standard learning-theoretic measures of complexity do not characterize the difficulty of the leader's learning task. Notably, we find that there exists a learning-theoretic measure of complexity, analogous to the Littlestone dimension in online classification, that tightly characterizes the leader's instance-optimal regret. We term this the Stackelberg-Littlestone dimension, and leverage it to provide a provably optimal online learning algorithm. In the distributional setting, we provide analogous results by showing that two new dimensions control the sample complexity upper- and lower-bound.
arXiv:2604.18556v2 Announce Type: replace Abstract: Quantization has become a standard tool for efficient LLM deployment, especially for local inference, where models are now routinely served at 2-3 bits per parameter. The state of the art is currently split into simple scalar quantization techniques, such as GPTQ or AWQ, which are widely deployed but plateau in accuracy at 3-4 bits per parameter (bpp), and "second-generation" vector- or trellis-quantized methods, such as QTIP, GPTVQ and AQLM, which push the accuracy frontier but are notoriously hard to implement and to scale. In this paper, we ask whether this gap is fundamental, or whether a carefully optimized $\textit{scalar}$ quantizer can recover most of it. We answer in the affirmative, by introducing GSQ (Gumbel-Softmax Quantization), a post-training scalar quantization method which jointly learns the per-coordinate grid assignments and the per-group scales using a Gumbel-Softmax relaxation of the discrete grid. GSQ matches the cardinality of the relaxation to the small number of levels available in the target bit-width regime (e.g., 3-8 levels for ternary and 3 bpp, respectively), making optimization tractable. Practically, on the standard Llama-3.1-8B/70B-Instruct models, GSQ closes most of the gap between scalar quantization and the QTIP frontier at 2 and 3 bits, while using a symmetric scalar grid with group-wise quantization, and thus remains compatible with existing scalar inference kernels. We further show that the same discrete-assignment optimization can be applied to practical GGUF K-Quant checkpoints: starting from publicly released GGUF models, GSQ improves accuracy while projecting the result back into the same deployment format. Finally, GSQ scales to trillion-scale Mixture-of-Experts models such as Kimi-K2.5, where vector-quantized methods are difficult to apply. The source code is publicly available at https://github.com/IST-DASLab/GSQ.
arXiv:2605.15618v1 Announce Type: new Abstract: Self-supervised video models are increasingly framed as world models, yet their evaluation remains largely confined to a single top-1 accuracy score on clean benchmarks. This leaves a major gap in comprehending their potential as world models. We present the first systematic study addressing this gap, analyzing four matched-capacity frontier video foundation models, V-JEPA 2.1, V-JEPA 2, VideoPrism, and VideoMAEv2, across five robustness axes relevant to their deployment as video world models: feature discriminability, corruption robustness, fine-grained discrimination, occlusion robustness, and sensitivity to temporal direction. Our evaluations establish that across all five axes, latent-prediction models form a distinct and consistent profile. They degrade more gracefully under pixel corruption, preserve usable class structure rather than mere geometric stability under occlusion, capture fine-grained physical contact cues without reconstructing pixels, and uniquely encode the arrow of time. These advantages can even survive task adaptation: a frozen V-JEPA 2 backbone with a lightweight attentive probe outperforms a fully fine-tuned VideoMAE and a supervised TimeSformer on corruption and occlusion robustness. Our extensive results offer concrete new evidence in favor of latent prediction for robust world modeling.
arXiv:2602.19069v2 Announce Type: replace Abstract: Recent years have witnessed tremendous progress in enabling LLMs to solve complex reasoning tasks such as math and coding. As we start to apply LLMs to harder tasks that they may not be able to solve in one shot, it is worth paying attention to their ability to construct intermediate stepping stones that prepare them to better solve the tasks. Examples of stepping stones include simplifications, alternative framings, or subproblems. We study properties and benefits of stepping stones in the context of modern reasoning LLMs via ARQ (Asking the Right Questions), a simple framework that introduces a question generator to the default reasoning pipeline. We first show that good stepping stone questions exist and are transferrable, meaning that good questions can be generated, and they substantially help LLMs of various capabilities in solving the target tasks. We next frame stepping stone generation as a post-training task and show that we can fine-tune LLMs to generate more useful stepping stones by SFT and RL on synthetic data.
arXiv:2505.15692v5 Announce Type: replace Abstract: Reinforcement learning (RL) has emerged as an effective paradigm for enhancing model reasoning. However, existing RL methods like GRPO typically rely on unstructured self-sampling to fit scalar rewards, often producing inefficient rollouts that fail to capture transferable problem-solving strategies. To address this limitation, we propose **TemplateRL**, a structured template-guided RL framework that augments policy optimization with explicit template guidance. Our approach first constructs a problem-solving template library via MCTS on a small seed set, then seamlessly integrates this high-level structured guidance into RL training. By guiding rollout generation to align with proven template structures, TemplateRL significantly improves high-quality trajectory hit rates while reducing ineffective exploration. This structure-guided design steers the policy toward validated strategic patterns, stabilizing training dynamics, and enhancing RL sampling efficiency. Notably, the explicit template library is interpretable, editable, and supports online updates-enabling continuous updates during both training and inference. Extensive experiments demonstrate that TemplateRL outperforms GRPO by 99% on AIME and 41% on AMC, with superior stability on weak models and remarkable cross-domain generalization, highlighting its potential for broader tasks.
arXiv:2605.15492v1 Announce Type: new Abstract: Generative models such as diffusion and flow matching have become dominant paradigms for visuomotor policy learning, yet their reliance on iterative denoising incurs high inference latency incompatible with real-time robotic control. We present Fast Legendre-polynomial Action policy via Sparse History-anchored flow (FLASH Policy), which replaces discrete action-chunk generation with continuous Legendre polynomial trajectory representation. Specifically, by fitting expert demonstrations under sparse temporal sampling, FLASH enables a single inference to cover a significantly extended action horizon. To further accelerate generation, FLASH initiates the flow matching process from history polynomial coefficients rather than uninformative Gaussian noise, shortening the transport distance and enabling accurate single-step inference. Moreover, analytic polynomial differentiation directly provides desired velocity feed-forward signals to the torque controller without numerical approximation. Extensive experiments on five simulated and two real-world manipulation tasks demonstrate that FLASH achieves state-of-the-art success rates ($\ge 92\%$ across all tasks), a per-episode inference time of $31.40\,ms$ (up to $175\times$ faster than diffusion policies and $18\times$ faster than prior flow matching policies), up to $4\times$ faster training convergence than ACT, and $5\times$ to $7\times$ reduction in controller tracking error compared to discrete-action baselines.
arXiv:2605.15496v1 Announce Type: new Abstract: Neural distance fields offer a compact and continuous representation of 3D geometry, making them attractive for incremental LiDAR mapping. However, their online optimization is vulnerable to catastrophic forgetting, where new observations can degrade previously reconstructed geometry. Replay-based training is commonly used to address this issue, but existing methods typically rely on passive replay buffers and uniform sampling, which can waste memory on redundant observations and under-train poorly constrained regions. We propose LAPS, a replay management framework for incremental neural mapping that improves both replay retention and replay allocation during online updates. LAPS combines reliability-based active pooling to retain reliable historical samples under limited memory with uncertainty-guided active sampling to focus optimization on under-constrained regions. Experiments on synthetic and real-world benchmarks show that LAPS consistently improves reconstruction completeness while maintaining competitive geometric accuracy. On Oxford Spires, it improves recall by 4.66 pp and F1-score by 3.79 pp over PIN-SLAM on the Blenheim Palace 05 sequence. We release our open source implementation at: https://github.com/dongjae0107/LAPS.
arXiv:2604.19572v3 Announce Type: replace Abstract: As terminal agents scale to long-horizon, multi-turn workflows, a key bottleneck is not merely limited context length, but the accumulation of noisy terminal observations in the interaction history. Retaining raw observations preserves useful environment feedback, but also leads to context saturation and high token cost; conversely, naive compression may discard task-critical signals needed for subsequent actions. Because terminal environments are highly heterogeneous across repositories, commands, and execution states, heuristic-based or fixed-prompt compression methods are difficult to generalize. We propose TACO, a plug-and-play, training-free, self-evolving Terminal Agent Compression framework for existing terminal agents. TACO automatically discovers, refines, and reuses structured compression rules from interaction trajectories, enabling workflow-adaptive filtering of low-value terminal outputs while preserving task-relevant observations. Experiments on TerminalBench (TB 1.0 and TB 2.0) and four additional terminal-related benchmarks, including SWE-Bench Lite, CompileBench, DevEval, and CRUST-Bench, show that TACO consistently improves task performance and token efficiency across agent scaffolds and backbone models. On TerminalBench, TACO yields 1%-4% accuracy gains across strong agentic models and improves accuracy by around 2%-3% under the same token budget. On additional terminal-related benchmarks, it reduces total token consumption while maintaining or improving task success rates. These results suggest that self-evolving, workflow-adaptive observation compression is an effective path toward more reliable and efficient long-horizon terminal agents. The code is publicly available at https://github.com/multimodal-art-projection/TACO.
arXiv:2605.04816v2 Announce Type: replace Abstract: Large language models (LLMs) are rapidly transforming knowledge work by improving the quality and efficiency of tasks such as writing, coding, and data analysis. However, their growing use in education has exposed a learning-performance paradox: while they can enhance short-term task performance, they may also undermine genuine learning, including cognitive growth, knowledge transfer, and metacognitive development. This paper addresses the question of how artificial intelligence should be designed and used to support learning rather than merely improve immediate outputs. We introduce the concept of AI learning companions, defined as adaptive, pedagogically informed, LLM-powered agents designed for integration into learning environments. We propose a framework for their design built on three interrelated foundations: a pedagogical foundation focused on how students learn with AI, an adaptive foundation focused on how AI learns about students, and a responsible design foundation ensuring systems remain transparent, accountable, inclusive, and secure. The framework is illustrated through five case studies spanning diverse educational contexts, levels, and tool designs, revealing both the promise and current limitations of existing tools. We conclude that there is a necessary shift away from LLMs designed for task-oriented performance, and beyond simply prompting them to act as tutors, toward deliberately developed AI learning companions that are pedagogically sound, adapt to their learners, and foster durable understanding, metacognitive growth, and learner agency.
arXiv:2605.15498v1 Announce Type: new Abstract: From a new perspective, this paper rederives Lagrange's equations. By applying the chain rule of differentiation, the intrinsic relationship between the momentum theorem and the kinetic energy theorem is first established. Subsequently, expressing the differential form of energy conservation in an arbitrary coordinate system and performing suitable differential operations yields Lagrange's equations. Generalized forces and generalized displacements are shown to be component representations of forces and displacements in a chosen coordinate system. Consequently, the essence of Lagrange's equations is identified as the transformation of the kinetic energy theorem into the momentum theorem via the chain rule for composite functions, thereby revealing how energy conservation constructs momentum conservation.
arXiv:2605.02960v2 Announce Type: replace Abstract: Production LLM workloads increasingly serve discriminative tasks, such as classification, recommendation, and verification, whose answers are read from the logits of a single prefill pass with no autoregressive decoding. Serving these prefill-only workloads on mixture-of-experts (MoE) models is bottlenecked not by compute but by the distributed execution required to fit the model: existing parallel strategies (tensor, expert, and pipeline parallelism) trade memory pressure for redundant computation, communication, and synchronization, severely degrading MoE prefill serving efficiency. We observe that these overheads stem from coupling expert placement with synchronous activation routing -- a design inherited from the decoding era. The long, compute-bound forward passes of large-batch prefill open a per-layer window wide enough to stream expert weights in the background, replacing per-layer activation AllToAll with asynchronous weight AllGather fully overlapped with computation. We propose MoE-Prefill, a prefill-only serving system whose backend, AsyncEP (Asynchronous Expert Parallelism), gathers experts by weight rather than routing them by activation, and whose frontend co-enforces a physically-derived saturation threshold through prefix-aware routing and true-FLOPs load tracking. On Qwen3-235B-A22B across four hardware/precision configurations, MoE-Prefill delivers 1.35-1.37x throughput over the strongest distributed baseline on real-world workloads and up to 1.59x on long-context synthetic workloads, sustaining 29.8-36.2% per-GPU model FLOPs utilization.
arXiv:2605.09403v2 Announce Type: replace Abstract: Architectural choices inside the Transformer feedforward network (FFN) block do not merely affect the block itself; they reshape the computations learned by the rest of the model. We study this effect in one-layer Transformers trained on digit addition with carry, modular arithmetic, and histogram counting. Comparing dense FFNs, gated linear units (GLUs), mixture-of-experts (MoE), and MoE-GLUs, we find that sparse MoE routing can shift computation from FFN to attention, with the strongest ablation-visible effect on carry-based addition. We decompose this redistribution into reduced per-token FFN capacity and sparse partitioning across experts. Critically, frozen random routing nearly matches learned routing, suggesting that redistribution is driven largely by architectural sparsity rather than router-learned specialization. As a secondary finding, GLU-style multiplicative gating rotates task-relevant Fourier structure out of the per-neuron basis and into distributed subspaces, making neuron-level interpretability less informative while preserving structured computation. We validate these conclusions with random-routing, narrow-FFN, and top-2 MoE controls, plus parameter-matching, activation-function, and width-scaling analyses. Together, these results show that local FFN design choices can have nonlocal consequences for Transformer computation.
arXiv:2605.03548v2 Announce Type: replace Abstract: Reconstructing PDE-governed fields from sparse and irregular measurements is challenging due to their ill-posed nature. Deterministic surrogates are trained on dense fields that struggle with limited measurements and uncertainty quantification. Generative models, by learning distributions over spatiotemporal fields, can better handle sparsity and uncertainty. However, existing generative approaches enforce data consistency and PDE constraints simultaneously via sampling-time gradient guidance, resulting in slow and unstable inference. To this end, we propose PerFlow, a Physics-embedded rectified Flow for efficient sparse reconstruction and uncertainty quantification of spatiotemporal dynamics. PerFlow decouples observation conditioning from physics enforcement, performing guidance-free conditioning by feeding observations into rectified-flow dynamics while embedding hard physics via a constraint-preserving projection (e.g., incompressibility or conservation). Theoretically, we establish invariance guarantees to ensure that trajectories remain on the physics-consistent manifold throughout sampling. Experiments on various PDE systems demonstrate competitive reconstruction accuracy with sound physics consistency, while enabling efficient conditional sampling (e.g., 50 steps) and up to 320x faster inference than 2000-step guided diffusion baselines.
arXiv:2603.19732v2 Announce Type: replace Abstract: Automated prompt optimization (APO) aims to improve large language model performance by refining prompt instructions. However, existing methods are largely constrained by fixed prompt templates, limited search spaces, or single-sided optimization that treats user questions as immutable inputs. In practice, question formulation and prompt design are inherently interdependent: clearer question structures facilitate focused reasoning and task understanding, while effective prompts reveal better ways to organize and restate queries. Ignoring this coupling fundamentally limits the effectiveness and adaptability of current APO approaches. We propose a unified multi-agent system (Helix) that jointly optimizes question reformulation and prompt instructions through a structured three-stage co-evolutionary framework. Helix integrates (1) planner-guided decomposition that breaks optimization into coupled question-prompt objectives, (2) dual-track co-evolution where specialized agents iteratively refine and critique each other to produce complementary improvements, and (3) strategy-driven question generation that instantiates high-quality reformulations for robust inference. Extensive experiments on 12 benchmarks against 6 strong baselines demonstrate the effectiveness of Helix, achieving up to 3.95% performance improvements across tasks with favorable optimization efficiency.
arXiv:2605.15504v1 Announce Type: new Abstract: Financial, social, and political factors often prevent the interests of the owners of ML systems and services and their users from being perfectly aligned. ML systems often produce biased information that can influence users to make decisions that are not in their best interest. Current solution approaches require ML systems to implement protocols to mitigate their biases. However, ML system owners usually do not have any incentive to implement these protocols and often argue that it limits their freedom of expression or business. We believe that a successful solution to this problem must recognize the conflict of interest between the ML systems and their users, and use this information to protect users against information that adversely influences their decisions while allowing users to safely benefit from these systems. To this end, we propose a game-theoretic framework that models the interaction between ML systems and users with conflicts of interest. We present scalable algorithms with theoretical guarantees that maximize the amount of desired information and actions and minimize the amount of biased and manipulative actions in interaction with ML systems.
arXiv:2605.15564v1 Announce Type: new Abstract: Generative models trained on public databases of protein structures, most of which have been determined by X-ray crystallography, now provide powerful priors for structure prediction. However, they are not readily conditioned on the measurements from a new crystallographic experiment, limiting their use for X-ray structure determination. In crystallography, the measured structure-factor amplitudes do not by themselves determine an electron density map or atomic structure because the associated phases are unobserved and must be inferred. Structure determination therefore remains an inverse problem in which candidate models must be both structurally plausible and consistent with measured diffraction data, often requiring substantial manual refinement by human experts. Emerging methods aim to incorporate experimental information more directly into predictive and refinement workflows. We present CrystalBoltz, a generative framework that casts crystallographic refinement as Bayesian inference over atomic structures and operates directly on structure-factor amplitudes. CrystalBoltz moves from unguided generation with a pre-trained prior over protein structures to experiment-guided posterior sampling, followed by atomic coordinate and B-factor refinement. Across multiple protein crystallography datasets, CrystalBoltz attains lower coordinate RMSD and lower R-factors than the strongest baselines considered, while reducing runtime by a factor of 33 relative to existing experimentally guided refinement.
arXiv:2605.15445v1 Announce Type: new Abstract: Automated proving of polynomial inequalities is a fundamental challenge in automated mathematical reasoning, where rich algebraic structure and a rapidly growing certificate search space hinder scalability. Purely symbolic approaches provide strong guarantees but often scale poorly as the number of variables or the degree increases, due to expensive algebraic manipulations and rapidly growing intermediate expressions. In parallel, LLM-guided methods have made notable progress, particularly on competition-style inequalities with a small number of variables. To address the remaining scalability challenges, we propose NSPI, a neuro-symbolic framework that combines the complementary strengths of LLMs and symbolic computation for polynomial-inequality proving. Concretely, an LLM proposes a conjecture in the form of an approximate polynomial Sum-Of-Squares (SOS) decomposition; we refine it via symbolic computation to obtain an exact polynomial SOS representation, which directly proves the target inequality, and we further certify the proof in Lean, yielding an end-to-end pipeline from heuristic discovery to machine-checked proof. Experiments on challenging benchmarks involving polynomials with up to 10 variables demonstrate the effectiveness and scalability of the proposed method.