Daily Papers

Training-free block-sparse attention can accelerate video transformers, but row-wise attention concentration does not by itself specify an executable sparse operator. Queries sharing a block route may have poorly overlapping supports, while retained attention mass alone does not determine the post-softmax error from skipped interactions. We show that partition geometry affects both pooled support and the predictability of the remaining residual from the sparse output. We introduce SparsePR, which combines Response-Coupled Partitioning with Probe-Fitted Residual Reconstruction. Sampled-query key responses form paired K/V groups, whose centroids induce query-response coordinates for shared routing. A small set of exact query rows then calibrates a call-specific affine correction from the sparse output within the output subspace observed in the probe residuals. Across four heterogeneous video generation and world models, SparsePR consistently reduces attention-reconstruction error. Ablations show that probe fitting accounts for most of this reduction, while response-coupled partitioning lowers hard-drop error and improves reconstruction under a finite probe budget. SparsePR preserves generation quality at 22.0-26.0% realized executed-pair density while achieving 1.48x-2.61x end-to-end speedups. Project page: https://pardistaghavi.github.io/SparsePR-website/

State density distribution, in contrast to worst-case reachability, can be leveraged for safety-related problems to better quantify the likelihood of the risk for potentially hazardous situations. In this work, we propose a data-driven method to compute the density distribution of reachable states for nonlinear and even black-box systems. Our semi-supervised approach learns system dynamics and the state density jointly from trajectory data, guided by the fact that the state density evolution follows the Liouville partial differential equation. With the help of neural network reachability tools, our approach can estimate the set of all possible future states as well as their density. Moreover, we could perform online safety verification with probability ranges for unsafe behaviors to occur. We use an extensive set of experiments to show that our learned solution can produce a much more accurate estimate on density distribution, and can quantify risks less conservatively and flexibly comparing with worst-case analysis.

Large language model(LLM)-driven multi-agent systems(MAS) coordinate specialized agents through predefined interaction topologies and have shown promise for complex tasks such as competition-level code generation. Recent studies demonstrate that carefully designed multi-agent workflows and communication graphs can significantly improve code generation performance by leveraging collaborative reasoning. However, existing methods neither adapt topology density to task difficulty nor iteratively refine the topology within an instance using execution feedback, which leads to redundant communication and performance bottlenecks. To address these issues, we propose AgentConductor: a reinforcement learning-optimized MAS with an LLM-based orchestrator agent as its core, which enables end-to-end feedback-driven dynamic generation of interaction topologies. For each query, AgentConductor infers agent roles and task difficulty, then constructs a task-adapted, density-aware layered directed acyclic graph (DAG) topology, underpinned by two key innovations. First, we design a novel topological density function that captures communication-aware mathematical characterizations of multi-agent interactions. Second, we adopt difficulty interval partitioning to avoid excessive pruning for precise topological density upper bound measurement per difficulty level and finer-grained control. Empirically, across three competition-level and two foundational code datasets, AgentConductor achieves state-of-the-art accuracy, outperforming the strongest baseline by up to 14.6% in pass@1 accuracy, 13% in density reduction, and 68% in token cost reduction.

Modeling the time-dependent evolution of electron density is essential for understanding quantum mechanical behaviors of condensed matter and enabling predictive simulations in spectroscopy, photochemistry, and ultrafast science. Yet, while machine learning methods have advanced static density prediction, modeling its spatiotemporal dynamics remains largely unexplored. In this work, we introduce a generative framework that combines a 3D convolutional autoencoder with a latent diffusion model (LDM) to learn electron density trajectories from ab-initio molecular dynamics (AIMD) simulations. Our method encodes electron densities into a compact latent space and predicts their future states by sampling from the learned conditional distribution, enabling stable long-horizon rollouts without drift or collapse. To preserve statistical fidelity, we incorporate a scaled Jensen-Shannon divergence regularization that aligns generated and reference density distributions. On AIMD trajectories of liquid lithium at 800 K, our model accurately captures both the spatial correlations and the log-normal-like statistical structure of the density. The proposed framework has the potential to accelerate the simulation of quantum dynamics and overcome key challenges faced by current spatiotemporal machine learning methods as surrogates of quantum mechanical simulators.

The theories of offline and online reinforcement learning, despite having evolved in parallel, have begun to show signs of the possibility for a unification, with algorithms and analysis techniques for one setting often having natural counterparts in the other. However, the notion of density ratio modeling, an emerging paradigm in offline RL, has been largely absent from online RL, perhaps for good reason: the very existence and boundedness of density ratios relies on access to an exploratory dataset with good coverage, but the core challenge in online RL is to collect such a dataset without having one to start. In this work we show -- perhaps surprisingly -- that density ratio-based algorithms have online counterparts. Assuming only the existence of an exploratory distribution with good coverage, a structural condition known as coverability (Xie et al., 2023), we give a new algorithm (GLOW) that uses density ratio realizability and value function realizability to perform sample-efficient online exploration. GLOW addresses unbounded density ratios via careful use of truncation, and combines this with optimism to guide exploration. GLOW is computationally inefficient; we complement it with a more efficient counterpart, HyGLOW, for the Hybrid RL setting (Song et al., 2022) wherein online RL is augmented with additional offline data. HyGLOW is derived as a special case of a more general meta-algorithm that provides a provable black-box reduction from hybrid RL to offline RL, which may be of independent interest.

In reinforcement learning and imitation learning, an object of central importance is the state distribution induced by the policy. It plays a crucial role in the policy gradient theorem, and references to it--along with the related state-action distribution--can be found all across the literature. Despite its importance, the state distribution is mostly discussed indirectly and theoretically, rather than being modeled explicitly. The reason being an absence of appropriate density estimation tools. In this work, we investigate applications of a normalizing flow-based model for the aforementioned distributions. In particular, we use a pair of flows coupled through the optimality point of the Donsker-Varadhan representation of the Kullback-Leibler (KL) divergence, for distribution matching based imitation learning. Our algorithm, Coupled Flow Imitation Learning (CFIL), achieves state-of-the-art performance on benchmark tasks with a single expert trajectory and extends naturally to a variety of other settings, including the subsampled and state-only regimes.

Deep generative models have been demonstrated as state-of-the-art density estimators. Yet, recent work has found that they often assign a higher likelihood to data from outside the training distribution. This seemingly paradoxical behavior has caused concerns over the quality of the attained density estimates. In the context of hierarchical variational autoencoders, we provide evidence to explain this behavior by out-of-distribution data having in-distribution low-level features. We argue that this is both expected and desirable behavior. With this insight in hand, we develop a fast, scalable and fully unsupervised likelihood-ratio score for OOD detection that requires data to be in-distribution across all feature-levels. We benchmark the method on a vast set of data and model combinations and achieve state-of-the-art results on out-of-distribution detection.

It is shown that in the complex trajectory representation of quantum mechanics, the Born's Psi^{\star}Ψprobability density can be obtained from the imaginary part of the velocity field of particles on the real axis. Extending this probability axiom to the complex plane, we first attempt to find a probability density by solving an appropriate conservation equation. The characteristic curves of this conservation equation are found to be the same as the complex paths of particles in the new representation. The boundary condition in this case is that the extended probability density should agree with the quantum probability rule along the real line. For the simple, time-independent, one-dimensional problems worked out here, we find that a conserved probability density can be derived from the velocity field of particles, except in regions where the trajectories were previously suspected to be nonviable. An alternative method to find this probability density in terms of a trajectory integral, which is easier to implement on a computer and useful for single particle solutions, is also presented. Most importantly, we show, by using the complex extension of Schrodinger equation, that the desired conservation equation can be derived from this definition of probability density.

Recent advances in generative modeling have enabled significant progress in structure-based drug design (SBDD). Existing methods typically condition molecule generation on empty binding pockets from holo complexes, overlooking informative components such as the filler (ligands and solvent). Here, we leverage low-resolution electron density (ED) derived from the filler as a physically grounded condition for de novo drug design. We consider two types of ED, calculated and cryo-EM/X-ray, obtainable from computational or experimental sources, supporting unified pre-training and experimental integration. Compared with rigid pocket representations, experimental ED naturally captures conformational flexibility and provides a more faithful description of the binding environment. Based on this, we introduce EDMolGPT, a decoder-only autoregressive framework that generates molecules from low-resolution ED point clouds. By grounding generation in physically meaningful density signals, EDMolGPT mitigates structural bias and produces molecules with 3D conformations. Evaluations on 101 biological targets verify the effectiveness. Our project page: https://jiahaochen1.github.io/EDMolGPT_Page/.

Density of the reachable states can help understand the risk of safety-critical systems, especially in situations when worst-case reachability is too conservative. Recent work provides a data-driven approach to compute the density distribution of autonomous systems' forward reachable states online. In this paper, we study the use of such approach in combination with model predictive control for verifiable safe path planning under uncertainties. We first use the learned density distribution to compute the risk of collision online. If such risk exceeds the acceptable threshold, our method will plan for a new path around the previous trajectory, with the risk of collision below the threshold. Our method is well-suited to handle systems with uncertainties and complicated dynamics as our data-driven approach does not need an analytical form of the systems' dynamics and can estimate forward state density with an arbitrary initial distribution of uncertainties. We design two challenging scenarios (autonomous driving and hovercraft control) for safe motion planning in environments with obstacles under system uncertainties. We first show that our density estimation approach can reach a similar accuracy as the Monte-Carlo-based method while using only 0.01X training samples. By leveraging the estimated risk, our algorithm achieves the highest success rate in goal reaching when enforcing the safety rate above 0.99.

A fully differential calculation in perturbative quantum chromodynamics is presented for the production of massive photon pairs at hadron colliders. All next-to-leading order perturbative contributions from quark-antiquark, gluon-(anti)quark, and gluon-gluon subprocesses are included, as well as all-orders resummation of initial-state gluon radiation valid at next-to-next-to-leading logarithmic accuracy. The region of phase space is specified in which the calculation is most reliable. Good agreement is demonstrated with data from the Fermilab Tevatron, and predictions are made for more detailed tests with CDF and DO data. Predictions are shown for distributions of diphoton pairs produced at the energy of the Large Hadron Collider (LHC). Distributions of the diphoton pairs from the decay of a Higgs boson are contrasted with those produced from QCD processes at the LHC, showing that enhanced sensitivity to the signal can be obtained with judicious selection of events.

Inference-time steering enables pretrained diffusion/flow models to be adapted to new tasks without retraining. A widely used approach is the ratio-of-densities method, which defines a time-indexed target path by reweighting probability-density trajectories from multiple models with positive, or in some cases, negative exponents. This construction, however, harbors a critical and previously unformalized failure mode: Marginal Path Collapse, where intermediate densities become non-normalizable even though endpoints remain valid. Collapse arises systematically when composing heterogeneous models trained on different noise schedules or datasets, including a common setting in molecular design where de-novo, conformer, and pocket-conditioned models must be combined for tasks such as flexible-pose scaffold decoration. We provide a novel and complete solution for the problem. First, we derive a simple path existence criterion that predicts exactly when collapse occurs from noise schedules and exponents alone. Second, we introduce Adaptive path Correction with Exponents (ACE), which extends Feynman-Kac steering to time-varying exponents and guarantees a valid probability path. On a synthetic 2D benchmark and on flexible-pose scaffold decoration, ACE eliminates collapse and enables high-guidance compositional generation, improving distributional and docking metrics over constant-exponent baselines and even specialized task-specific scaffold decoration models. Our work turns ratio-of-densities steering with heterogeneous experts from an unstable heuristic into a reliable tool for controllable generation.

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to couple the base and the target densities. This enables us to incorporate information about class labels or continuous embeddings to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting.

Diffusion models have emerged as a powerful class of generative models, capable of producing high-quality images by mapping noise to a data distribution. However, recent findings suggest that image likelihood does not align with perceptual quality: high-likelihood samples tend to be smooth, while lower-likelihood ones are more detailed. Controlling sample density is thus crucial for balancing realism and detail. In this paper, we analyze an existing technique, Prior Guidance, which scales the latent code to influence image detail. We introduce score alignment, a condition that explains why this method works and show that it can be tractably checked for any continuous normalizing flow model. We then propose Density Guidance, a principled modification of the generative ODE that enables exact log-density control during sampling. Finally, we extend Density Guidance to stochastic sampling, ensuring precise log-density control while allowing controlled variation in structure or fine details. Our experiments demonstrate that these techniques provide fine-grained control over image detail without compromising sample quality.

VIBETENSOR is an open-source research system software stack for deep learning, generated by LLM-powered coding agents under high-level human guidance. In this paper, "fully generated" refers to code provenance: implementation changes were produced and applied as agent-proposed diffs; validation relied on agent-run builds, tests, and differential checks, without per-change manual diff review. It implements a PyTorch-style eager tensor library with a C++20 core (CPU+CUDA), a torch-like Python overlay via nanobind, and an experimental Node.js/TypeScript interface. Unlike thin bindings, VIBETENSOR includes its own tensor/storage system, schema-lite dispatcher, reverse-mode autograd, CUDA runtime (streams/events/graphs), a stream-ordered caching allocator with diagnostics, and a stable C ABI for dynamically loaded operator plugins. We view this release as a milestone for AI-assisted software engineering: it shows coding agents can generate a coherent deep learning runtime spanning language bindings down to CUDA memory management, validated primarily by builds and tests. We describe the architecture, summarize the workflow used to produce and validate the system, and evaluate the artifact. We report repository scale and test-suite composition, and summarize reproducible microbenchmarks from an accompanying AI-generated kernel suite, including fused attention versus PyTorch SDPA/FlashAttention. We also report end-to-end training sanity checks on 3 small workloads (sequence reversal, ViT, miniGPT) on NVIDIA H100 (Hopper, SM90) and Blackwell-class GPUs; multi-GPU results are Blackwell-only and use an optional CUTLASS-based ring-allreduce plugin gated on CUDA 13+ and sm103a toolchain support. Finally, we discuss failure modes in generated system software, including a "Frankenstein" composition effect where locally correct subsystems interact to yield globally suboptimal performance.

The dynamic imbalance of the fore-background is a major challenge in video object counting, which is usually caused by the sparsity of target objects. This remains understudied in existing works and often leads to severe under-/over-prediction errors. To tackle this issue in video object counting, we propose a density-embedded Efficient Masked Autoencoder Counting (E-MAC) framework in this paper. To empower the model's representation ability on density regression, we develop a new Density-Embedded Masked mOdeling (DEMO) method, which first takes the density map as an auxiliary modality to perform multimodal self-representation learning for image and density map. Although DEMO contributes to effective cross-modal regression guidance, it also brings in redundant background information, making it difficult to focus on the foreground regions. To handle this dilemma, we propose an efficient spatial adaptive masking derived from density maps to boost efficiency. Meanwhile, we employ an optical flow-based temporal collaborative fusion strategy to effectively capture the dynamic variations across frames, aligning features to derive multi-frame density residuals. The counting accuracy of the current frame is boosted by harnessing the information from adjacent frames. In addition, considering that most existing datasets are limited to human-centric scenarios, we first propose a large video bird counting dataset, DroneBird, in natural scenarios for migratory bird protection. Extensive experiments on three crowd datasets and our DroneBird validate our superiority against the counterparts. The code and dataset are available.

Devising indicative evaluation metrics for the image generation task remains an open problem. The most widely used metric for measuring the similarity between real and generated images has been the Fr\'echet Inception Distance (FID) score. Because it does not differentiate the fidelity and diversity aspects of the generated images, recent papers have introduced variants of precision and recall metrics to diagnose those properties separately. In this paper, we show that even the latest version of the precision and recall metrics are not reliable yet. For example, they fail to detect the match between two identical distributions, they are not robust against outliers, and the evaluation hyperparameters are selected arbitrarily. We propose density and coverage metrics that solve the above issues. We analytically and experimentally show that density and coverage provide more interpretable and reliable signals for practitioners than the existing metrics. Code: https://github.com/clovaai/generative-evaluation-prdc.

Decompilation aims to restore compiled code to human-readable source code, but struggles with details like names and structure. Large language models (LLMs) show promise for programming tasks, motivating their application to decompilation. However, there does not exist any open-source LLM for decompilation. Moreover, existing decompilation evaluation systems mainly consider token-level accuracy and largely ignore code executability, which is the most important feature of any program. Therefore, we release the first open-access decompilation LLMs ranging from 1B to 33B pre-trained on 4 billion tokens of C source code and the corresponding assembly code. The open-source LLMs can serve as baselines for further development in the field. To ensure practical program evaluation, we introduce Decompile-Eval, the first dataset that considers re-compilability and re-executability for decompilation. The benchmark emphasizes the importance of evaluating the decompilation model from the perspective of program semantics. Experiments indicate that our LLM4Decompile has demonstrated the capability to accurately decompile 21% of the assembly code, which achieves a 50% improvement over GPT-4. Our code, dataset, and models are released at https://github.com/albertan017/LLM4Decompile

Existing machine learning methods for causal inference usually estimate quantities expressed via the mean of potential outcomes (e.g., average treatment effect). However, such quantities do not capture the full information about the distribution of potential outcomes. In this work, we estimate the density of potential outcomes after interventions from observational data. For this, we propose a novel, fully-parametric deep learning method called Interventional Normalizing Flows. Specifically, we combine two normalizing flows, namely (i) a nuisance flow for estimating nuisance parameters and (ii) a target flow for parametric estimation of the density of potential outcomes. We further develop a tractable optimization objective based on a one-step bias correction for efficient and doubly robust estimation of the target flow parameters. As a result, our Interventional Normalizing Flows offer a properly normalized density estimator. Across various experiments, we demonstrate that our Interventional Normalizing Flows are expressive and highly effective, and scale well with both sample size and high-dimensional confounding. To the best of our knowledge, our Interventional Normalizing Flows are the first proper fully-parametric, deep learning method for density estimation of potential outcomes.

Migrating quantum algorithms across evolving frameworks introduces subtle behavioral changes that affect accuracy and reproducibility. This paper reports our experience converting the Quantum Approximate Optimization Algorithm (QAOA) from Qiskit Algorithms with Qiskit 1.x (v1 primitives) to a custom implementation using Qiskit 2.x (v2 primitives). Despite identical circuits, optimizers, and Hamiltonians, the new version produced drastically different results. A systematic analysis revealed the root cause: the sampling budget -- the number of circuit executions (shots) per iteration. The library's implicit use of unlimited shots yielded dense probability distributions, whereas the v2 default of 10 000 shots captured only 23% of the state space. Increasing shots to 250 000 restored library-level accuracy. This study highlights how hidden parameters at the quantum-classical interaction level can dominate hybrid algorithm performance and provides actionable recommendations for developers and framework designers to ensure reproducible results in quantum software migration.

While previous distribution shift detection approaches can identify if a shift has occurred, these approaches cannot localize which specific features have caused a distribution shift -- a critical step in diagnosing or fixing any underlying issue. For example, in military sensor networks, users will want to detect when one or more of the sensors has been compromised, and critically, they will want to know which specific sensors might be compromised. Thus, we first define a formalization of this problem as multiple conditional distribution hypothesis tests and propose both non-parametric and parametric statistical tests. For both efficiency and flexibility, we then propose to use a test statistic based on the density model score function (i.e. gradient with respect to the input) -- which can easily compute test statistics for all dimensions in a single forward and backward pass. Any density model could be used for computing the necessary statistics including deep density models such as normalizing flows or autoregressive models. We additionally develop methods for identifying when and where a shift occurs in multivariate time-series data and show results for multiple scenarios using realistic attack models on both simulated and real world data.

A deep understanding of the physical world is a central goal for embodied AI and realistic simulation. While current models excel at capturing an object's surface geometry and appearance, they largely neglect its internal physical properties. This omission is critical, as properties like volumetric density are fundamental for predicting an object's center of mass, stability, and interaction dynamics in applications ranging from robotic manipulation to physical simulation. The primary bottleneck has been the absence of large-scale, real-world data. To bridge this gap, we introduce XDen-1K, the first large-scale, multi-modal dataset designed for real-world physical property estimation, with a particular focus on volumetric density. The core of this dataset consists of 1,000 real-world objects across 148 categories, for which we provide comprehensive multi-modal data, including a high-resolution 3D geometric model with part-level annotations and a corresponding set of real-world biplanar X-ray scans. Building upon this data, we introduce a novel optimization framework that recovers a high-fidelity volumetric density field of each object from its sparse X-ray views. To demonstrate its practical value, we add X-ray images as a conditioning signal to an existing segmentation network and perform volumetric segmentation. Furthermore, we conduct experiments on downstream robotics tasks. The results show that leveraging the dataset can effectively improve the accuracy of center-of-mass estimation and the success rate of robotic manipulation. We believe XDen-1K will serve as a foundational resource and a challenging new benchmark, catalyzing future research in physically grounded visual inference and embodied AI.

We reconstruct the extra-galactic gamma-ray source-count distribution, or dN/dS, of resolved and unresolved sources by adopting machine learning techniques. Specifically, we train a convolutional neural network on synthetic 2-dimensional sky-maps, which are built by varying parameters of underlying source-counts models and incorporate the Fermi-LAT instrumental response functions. The trained neural network is then applied to the Fermi-LAT data, from which we estimate the source count distribution down to flux levels a factor of 50 below the Fermi-LAT threshold. We perform our analysis using 14 years of data collected in the (1,10) GeV energy range. The results we obtain show a source count distribution which, in the resolved regime, is in excellent agreement with the one derived from catalogued sources, and then extends as dN/dS sim S^{-2} in the unresolved regime, down to fluxes of 5 cdot 10^{-12} cm^{-2} s^{-1}. The neural network architecture and the devised methodology have the flexibility to enable future analyses to study the energy dependence of the source-count distribution.

PTQTP decomposes LLM weight matrices into two ternary (trit) planes with two free per-group scales. Tying the scales to a fixed ratio of three collapses the decomposition into a single uniform nine-level quantizer, a known balanced-ternary identity. To our knowledge, at the time of writing, this work is the first to impose that identity as a constraint inside PTQTP's solver. The two trit planes then fold losslessly into one 4-bit code plane that we make the persistent serving representation: disk bytes, expert-cache bytes, and kernel input are the same 4.0625-bits/weight blocks, consumed in one integer dot pass. For this conjunction (ratio-3 nine-level code, CPU-SIMD kernels, SSD expert streaming, identical persistent bytes) we likewise found no precedent. We apply this to the routed experts of DeepSeek-V4-Flash-0731, a 284B-A13B mixture-of-experts model, quantizing in one shot from the released MXFP4 expert weights and streaming experts from SSD on a 64 GB laptop. Against a 4.5-bit Q4_K baseline, measured one process per fixture with an expert-lossless anchor arm as reference control, the tied model matches the official serving API on 5/5 fixtures at step 0 (Q4_K: 4/5) and 12/14 captured continuation steps (11/14), scores 86 vs. 84 on a 100-item MMLU subset, decodes 6.7% faster in decode phase, and ships 9% smaller files: no detected fidelity difference at these small evaluation sizes, and every fixture-level difference between the arms traces to a single measured near-tie cell. The tied fit nevertheless shows higher weight-reconstruction error and worse perplexity, a measured dissociation between proxy metrics and reference fidelity. A cumulative trunk-ternarization ladder and bitwise-pinned aarch64/x86-64 kernels complete the report. All code, formats, and evaluation artifacts are open source in the fucina inference stack.

Multi-agent systems play a central role in area coverage tasks across search-and-rescue, environmental monitoring, and precision agriculture. Achieving non-uniform coverage, where spatial priorities vary across the domain, requires coordinating agents while respecting dynamic and communication constraints. Density-driven approaches can distribute agents according to a prescribed reference density, but existing methods do not ensure connectivity. This limitation often leads to communication loss, reduced coordination, and degraded coverage performance. This letter introduces a connectivity-preserving extension of the Density-Driven Optimal Control (D2OC) framework. The coverage objective, defined using the Wasserstein distance between the agent distribution and the reference density, admits a convex quadratic program formulation. Communication constraints are incorporated through a smooth connectivity penalty, which maintains strict convexity, supports distributed implementation, and preserves inter-agent communication without imposing rigid formations. Simulation studies show that the proposed method consistently maintains connectivity, improves convergence speed, and enhances non-uniform coverage quality compared with density-driven schemes that do not incorporate explicit connectivity considerations.

We present a reproducible, parameter-driven software workflow for optimizing approximate mutually unbiased basis (AMUB) configurations in arbitrary dimensions d using a Lie-algebra unitary parameterization. The workflow is designed for portable execution across CPU, Apple MPS, CUDA-capable GPU, and HPC backends, using a Taylor-series matrix exponential layer as an accelerator compatibility pathway. As a dimension-six case study, we optimize unanchored configurations across 100 random seeds for basis counts n = 3, 4, 5, 6 in complex128 and complex64 arithmetic. The workflow recovers exact three-basis configurations, identifies a recurrent four-basis partial-exact hub-and-triangle structure, and finds no near-exact pairs for n = 5 or n = 6 in the reported campaigns under the primary tolerance. As a hardware-execution check, we embed the representative d = 6, n = 4 transition unitaries into three-qubit 8x8 unitaries and execute the resulting circuits on the 156-qubit Heron processor ibm-marrakesh using subspace post-selection. The measured QPU pairwise losses are dominated by a hardware and compilation noise floor of approximately 0.02-0.08, associated with compiled circuits averaging 37 native CZ gates, which obscures the distinction between classically near-exact and defective pairs. The results provide a reproducible computational framework for exploring AMUB landscapes, together with an initial assessment of the challenges involved in executing optimized dimension-six unitaries on current quantum hardware.

In this paper, we present empirical evidence of skills and directed exploration emerging from a simple RL algorithm long before any successful trials are observed. For example, in a manipulation task, the agent is given a single observation of the goal state and learns skills, first for moving its end-effector, then for pushing the block, and finally for picking up and placing the block. These skills emerge before the agent has ever successfully placed the block at the goal location and without the aid of any reward functions, demonstrations, or manually-specified distance metrics. Once the agent has learned to reach the goal state reliably, exploration is reduced. Implementing our method involves a simple modification of prior work and does not require density estimates, ensembles, or any additional hyperparameters. Intuitively, the proposed method seems like it should be terrible at exploration, and we lack a clear theoretical understanding of why it works so effectively, though our experiments provide some hints.

In this research. we analyze the potential of Feature Density (HD) as a way to comparatively estimate machine learning (ML) classifier performance prior to training. The goal of the study is to aid in solving the problem of resource-intensive training of ML models which is becoming a serious issue due to continuously increasing dataset sizes and the ever rising popularity of Deep Neural Networks (DNN). The issue of constantly increasing demands for more powerful computational resources is also affecting the environment, as training large-scale ML models are causing alarmingly-growing amounts of CO2, emissions. Our approach 1s to optimize the resource-intensive training of ML models for Natural Language Processing to reduce the number of required experiments iterations. We expand on previous attempts on improving classifier training efficiency with FD while also providing an insight to the effectiveness of various linguistically-backed feature preprocessing methods for dialog classification, specifically cyberbullying detection.

Code execution is a fundamental aspect of programming language semantics that reflects the exact behavior of the code. However, most pre-trained models for code intelligence ignore the execution trace and only rely on source code and syntactic structures. In this paper, we investigate how well pre-trained models can understand and perform code execution. We develop a mutation-based data augmentation technique to create a large-scale and realistic Python dataset and task for code execution, which challenges existing models such as Codex. We then present CodeExecutor, a Transformer model that leverages code execution pre-training and curriculum learning to enhance its semantic comprehension. We evaluate CodeExecutor on code execution and show its promising performance and limitations. We also demonstrate its potential benefits for code intelligence tasks such as zero-shot code-to-code search and text-to-code generation. Our analysis provides insights into the learning and generalization abilities of pre-trained models for code execution.

Abliteration - deleting a model's refusal direction from its weights - is the standard recipe behind popular "uncensored" open-weight models. We show the surgery is not clean. As a disposition probe we use 21,600 decisions under uncertainty - weekly up/down calls on 60 Warsaw Stock Exchange equities over 18 weeks, replayed through a frozen pipeline so the decision-layer model is the only variable. The task elicits no refusals at all, so any between-arm delta is pure side effect. Holding provenance constant (official BF16 checkpoints, a single abliteration author, an identical serving stack, one byte-identical frozen prompt), we compare base and abliterated arms of two Mixture-of-Experts families, Gemma-4-26B-A4B-it and Qwen3-30B-A3B-Instruct-2507. Three effects replicate across both families (weeks-clustered bootstrap CIs excluding zero): abliterated models are systematically more optimistic (+12.2 pp Gemma, +7.4 pp Qwen; the confirmed preregistered endpoint), justify themselves at greater length, and use fewer explicit uncertainty words in forced self-critiques (both exploratory). A fourth effect reverses sign: the same operation makes Gemma-abliterated less confident and Qwen-abliterated more (family CIs non-overlapping) - one weight surgery, opposite shifts in expressed confidence. Capability covariates rule out instruction-following degradation as the driver, and no arm shows economic skill: the apparent edge of abliterated arms is regime beta, not alpha. Our provenance audit also caught two independent contamination channels - a mismatched-quantizer pilot pair and a stale community chat template that silently mangled the rendered prompt - suggesting toolchain artifacts are the rule in studies of community-modified checkpoints. Whoever deploys an "uncensored" model as an agent is deploying a measurably different decision-maker, not the base model minus refusals.

Optimal Transport (OT) has fueled machine learning (ML) across many domains. When paired data measurements (mu, nu) are coupled to covariates, a challenging conditional distribution learning setting arises. Existing approaches for learning a global transport map parameterized through a potentially unseen context utilize Neural OT and largely rely on Brenier's theorem. Here, we propose a first-of-its-kind quantum computing formulation for amortized optimization of contextualized transportation plans. We exploit a direct link between doubly stochastic matrices and unitary operators thus unravelling a natural connection between OT and quantum computation. We verify our method (QontOT) on synthetic and real data by predicting variations in cell type distributions conditioned on drug dosage. Importantly we conduct a 24-qubit hardware experiment on a task challenging for classical computers and report a performance that cannot be matched with our classical neural OT approach. In sum, this is a first step toward learning to predict contextualized transportation plans through quantum computing.

Binary decompilation is fundamental to security tasks such as vulnerability discovery, malware inspection, and executable-only program understanding. Recent LLM-based decompilation methods have shown promising results, but most still follow a single-turn generation paradigm: given assembly code or decompiler-produced pseudo-code, the model generates one output and stops. Consequently, the generated code may appear readable or even compile successfully, yet still deviate from the behavior of the original binary and mislead downstream analysis. This paper presents AutoDecompiler, a decompilation-specialized LLM trained with reinforcement learning for feedback-driven multi-turn binary decompilation. Instead of treating decompilation as one-shot code generation, AutoDecompiler formulates it as an iterative refinement process, where the model revises generated code based on compilation, execution, and input/output testing feedback. To enable this process, we design decompilation-specific rewards that capture code validity, recompilability, execution consistency, and semantic fidelity. We further construct stage-aware diagnostic feedback from compiler errors, execution failures, and failed test cases, and introduce progress-aware trajectory rewarding and turn-aware advantage reweighting to encourage beneficial revisions while suppressing regressions. We train the AutoDecompiler family and evaluate it across different input settings, model scales, and benchmarks. Experimental results show that AutoDecompiler consistently outperforms its single-turn counterparts under the same model size and input setting, achieving clear improvements in behavioral re-executability. These results demonstrate that learning to exploit program feedback with reinforcement learning is an effective direction for improving the functional correctness of LLM-based binary decompilation.

Out-of-distribution (OOD) detection is a critical requirement for the deployment of deep neural networks. This paper introduces the HEAT model, a new post-hoc OOD detection method estimating the density of in-distribution (ID) samples using hybrid energy-based models (EBM) in the feature space of a pre-trained backbone. HEAT complements prior density estimators of the ID density, e.g. parametric models like the Gaussian Mixture Model (GMM), to provide an accurate yet robust density estimation. A second contribution is to leverage the EBM framework to provide a unified density estimation and to compose several energy terms. Extensive experiments demonstrate the significance of the two contributions. HEAT sets new state-of-the-art OOD detection results on the CIFAR-10 / CIFAR-100 benchmark as well as on the large-scale Imagenet benchmark. The code is available at: https://github.com/MarcLafon/heatood.

In astrophysical and cosmological analyses, the increasing quality and volume of astronomical data demand efficient and precise computational tools. This work introduces a novel adaptive algorithm for automatic knots (AutoKnots) allocation in spline interpolation, designed to meet user-defined precision requirements. Unlike traditional methods that rely on manually configured knot distributions with numerous parameters, the proposed technique automatically determines the optimal number and placement of knots based on interpolation error criteria. This simplifies configuration, often requiring only a single parameter. The algorithm progressively improves the interpolation by adaptively sampling the function-to-be-approximated, f(x), in regions where the interpolation error exceeds the desired threshold. All function evaluations contribute directly to the final approximation, ensuring efficiency. While each resampling step involves recomputing the interpolation table, this process is highly optimized and usually computationally negligible compared to the cost of evaluating f(x). We show the algorithm's efficacy through a series of precision tests on different functions. However, the study underscores the necessity for caution when dealing with certain function types, notably those featuring plateaus. To address this challenge, a heuristic enhancement is incorporated, improving accuracy in flat regions. This algorithm has been extensively used and tested over the years. NumCosmo includes a comprehensive set of unit tests that rigorously evaluate the algorithm both directly and indirectly, underscoring its robustness and reliability. As a practical application, we compute the surface mass density Sigma(R) and the average surface mass density Sigma(<R) for Navarro-Frenk-White and Hernquist halo density profiles, which provide analytical benchmarks. (abridged)

Linear probes are a promising approach for monitoring AI systems for deceptive behaviour. Previous work has shown that a linear classifier trained on a contrastive instruction pair and a simple dataset can achieve good performance. However, these probes exhibit notable failures even in straightforward scenarios, including spurious correlations and false positives on non-deceptive responses. In this paper, we identify the importance of the instruction pair used during training. Furthermore, we show that targeting specific deceptive behaviors through a human-interpretable taxonomy of deception leads to improved results on evaluation datasets. Our findings reveal that instruction pairs capture deceptive intent rather than content-specific patterns, explaining why prompt choice dominates probe performance (70.6% of variance). Given the heterogeneity of deception types across datasets, we conclude that organizations should design specialized probes targeting their specific threat models rather than seeking a universal deception detector.

We explore a generative machine learning-based approach for estimating multi-dimensional probability density functions (PDFs) in a target sample using a statistically independent but related control sample - a common challenge in particle physics data analysis. The generative model must accurately reproduce individual observable distributions while preserving the correlations between them, based on the input multidimensional distribution from the control sample. Here we present a conditional normalizing flow model (CNF) based on a chain of bijectors which learns to transform unpaired simulation events to data events. We assess the performance of the CNF model in the context of LHC Higgs to diphoton analysis, where we use the CNF model to convert a Monte Carlo diphoton sample to one that models data. We show that the CNF model can accurately model complex data distributions and correlations. We also leverage the recently popularized Modified Differential Multiplier Method (MDMM) to improve the convergence of our model and assign physical meaning to usually arbitrary loss-function parameters.

Vibe coding produces correct, executable code at speed, but leaves no record of the structural commitments, dependencies, or evidence behind it. Reviewers cannot determine what invariants were assumed, what changed, or why a regression occurred. This is not a generation failure but a control failure: the dominant artifact of AI-assisted development (code plus chat history) performs dimension collapse, flattening complex system topology into low-dimensional text and making systems opaque and fragile under change. We propose Agentic Consensus: a paradigm in which the consensus layer C, an operable world model represented as a typed property graph, replaces code as the primary artifact of engineering. Executable artifacts are derived from C and kept in correspondence via synchronization operators Phi (realize) and Psi (rehydrate). Evidence links directly to structural claims in C, making every commitment auditable and under-specification explicit as measurable consensus entropy rather than a silent guess. Evaluation must move beyond code correctness toward alignment fidelity, consensus entropy, and intervention distance. We propose benchmark task families designed to measure whether consensus-based workflows reduce human intervention compared to chat-driven baselines.

Binary code is pervasive, and binary analysis is a key task in reverse engineering, malware classification, and vulnerability discovery. Unfortunately, while there exist large corpuses of malicious binaries, obtaining high-quality corpuses of benign binaries for modern systems has proven challenging (e.g., due to licensing issues). Consequently, machine learning based pipelines for binary analysis utilize either costly commercial corpuses (e.g., VirusTotal) or open-source binaries (e.g., coreutils) available in limited quantities. To address these issues, we present Assemblage: an extensible cloud-based distributed system that crawls, configures, and builds Windows PE binaries to obtain high-quality binary corpuses suitable for training state-of-the-art models in binary analysis. We have run Assemblage on AWS over the past year, producing 890k Windows PE and 428k Linux ELF binaries across 29 configurations. Assemblage is designed to be both reproducible and extensible, enabling users to publish "recipes" for their datasets, and facilitating the extraction of a wide array of features. We evaluated Assemblage by using its data to train modern learning-based pipelines for compiler provenance and binary function similarity. Our results illustrate the practical need for robust corpuses of high-quality Windows PE binaries in training modern learning-based binary analyses. Assemblage can be downloaded from https://assemblage-dataset.net

The sampling of probability distributions specified up to a normalization constant is an important problem in both machine learning and statistical mechanics. While classical stochastic sampling methods such as Markov Chain Monte Carlo (MCMC) or Langevin Dynamics (LD) can suffer from slow mixing times there is a growing interest in using normalizing flows in order to learn the transformation of a simple prior distribution to the given target distribution. Here we propose a generalized and combined approach to sample target densities: Stochastic Normalizing Flows (SNF) -- an arbitrary sequence of deterministic invertible functions and stochastic sampling blocks. We show that stochasticity overcomes expressivity limitations of normalizing flows resulting from the invertibility constraint, whereas trainable transformations between sampling steps improve efficiency of pure MCMC/LD along the flow. By invoking ideas from non-equilibrium statistical mechanics we derive an efficient training procedure by which both the sampler's and the flow's parameters can be optimized end-to-end, and by which we can compute exact importance weights without having to marginalize out the randomness of the stochastic blocks. We illustrate the representational power, sampling efficiency and asymptotic correctness of SNFs on several benchmarks including applications to sampling molecular systems in equilibrium.

While LLaDA2.0 showcased the scaling potential of 100B-level block-diffusion models and their inherent parallelization, the delicate equilibrium between decoding speed and generation quality has remained an elusive frontier. Today, we unveil LLaDA2.1, a paradigm shift designed to transcend this trade-off. By seamlessly weaving Token-to-Token (T2T) editing into the conventional Mask-to-Token (M2T) scheme, we introduce a joint, configurable threshold-decoding scheme. This structural innovation gives rise to two distinct personas: the Speedy Mode (S Mode), which audaciously lowers the M2T threshold to bypass traditional constraints while relying on T2T to refine the output; and the Quality Mode (Q Mode), which leans into conservative thresholds to secure superior benchmark performances with manageable efficiency degrade. Furthering this evolution, underpinned by an expansive context window, we implement the first large-scale Reinforcement Learning (RL) framework specifically tailored for dLLMs, anchored by specialized techniques for stable gradient estimation. This alignment not only sharpens reasoning precision but also elevates instruction-following fidelity, bridging the chasm between diffusion dynamics and complex human intent. We culminate this work by releasing LLaDA2.1-Mini (16B) and LLaDA2.1-Flash (100B). Across 33 rigorous benchmarks, LLaDA2.1 delivers strong task performance and lightning-fast decoding speed. Despite its 100B volume, on coding tasks it attains an astounding 892 TPS on HumanEval+, 801 TPS on BigCodeBench, and 663 TPS on LiveCodeBench.

Code Executing Reasoning is becoming a new non-functional metric that assesses the ability of large language models (LLMs) in programming tasks. State-of-the-art frameworks (CodeMind or REval) and benchmarks (CruxEval) usually focus on LLM's prediction of a given code's input/output or intermediate variable states/values on limited programs. However, there is no tool for more in-depth analysis of the results. Without such a tool, the observations about LLM's code execution reasoning cannot be generalized to more datasets, preventing the research community and practitioners from devising the next generation of LLMs with better code execution reasoning abilities. This paper introduces ExeRScope, a series of tools and heuristics to analyze the result of code execution reasoning frameworks to understand better the impact of code properties in the studied benchmarks on the code execution reasoning. With such tooling, analysis can be generalized to code with similar properties without the urgent need to design more benchmarks, which is a cumbersome effort.

Generating new molecules is fundamental to advancing critical applications such as drug discovery and material synthesis. Flows can generate molecules effectively by inverting the encoding process, however, existing flow models either require artifactual dequantization or specific node/edge orderings, lack desiderata such as permutation invariance, or induce discrepancy between the encoding and the decoding steps that necessitates post hoc validity correction. We circumvent these issues with novel continuous normalizing E(3)-equivariant flows, based on a system of node ODEs coupled as a graph PDE, that repeatedly reconcile locally toward globally aligned densities. Our models can be cast as message-passing temporal networks, and result in superlative performance on the tasks of density estimation and molecular generation. In particular, our generated samples achieve state-of-the-art on both the standard QM9 and ZINC250K benchmarks.

We propose a new method for count-based exploration in high-dimensional state spaces. Unlike previous work which relies on density models, we show that counts can be derived by averaging samples from the Rademacher distribution (or coin flips). This insight is used to set up a simple supervised learning objective which, when optimized, yields a state's visitation count. We show that our method is significantly more effective at deducing ground-truth visitation counts than previous work; when used as an exploration bonus for a model-free reinforcement learning algorithm, it outperforms existing approaches on most of 9 challenging exploration tasks, including the Atari game Montezuma's Revenge.

LLM-based agents for program repair are increasingly built on a "generate-run-revise" paradigm, iteratively executing tests to evaluate and refine patches. This execution-based approach has become standard practice in state-of-the-art systems. However, executions can be time-consuming and expensive, yet their impact on these agents remains underexplored. In this paper, we conduct a two-stage empirical study over execution behavior in LLM-based program repair. To characterize execution behavior at scale, we first analyze 7,745 agent traces from SWE-bench leaderboard submissions. Second, we evaluate 3,000 end-to-end repair attempts across 200 SWE-bench instances and three agents (Claude Code, Codex, and the open-source OpenCode) under four execution paradigms, which allows for a fine-grained comparison of performance and cost. Our analysis reveals three key observations: (1) Code execution is used across all agents and models analyzed, with an average of 8.8 test runs per task. Execution behavior varies substantially across agents and models, with frequency ranging from 2 to 19 per task, and late-stage executions consistently achieve higher success rates than early-stage ones. (2) Execution restrictions have little effect on repair success: on commercial agents with SOTA models the resolve-rate gap between Prohibited and Unrestricted is only 1.25 percentage points and not statistically significant, while Prohibited saves substantial token and wall-clock cost. (3) Execution benefit is concentrated rather than uniform. These patterns suggest that current agents apply execution indiscriminately, paying its cost on instances where it provides little benefit. Execution, therefore, should be treated as a resource with an explicit cost-benefit tradeoff, not a default capability.

Albeit worryingly underrated in the recent literature on machine learning in general (and, on deep learning in particular), multivariate density estimation is a fundamental task in many applications, at least implicitly, and still an open issue. With a few exceptions, deep neural networks (DNNs) have seldom been applied to density estimation, mostly due to the unsupervised nature of the estimation task, and (especially) due to the need for constrained training algorithms that ended up realizing proper probabilistic models that satisfy Kolmogorov's axioms. Moreover, in spite of the well-known improvement in terms of modeling capabilities yielded by mixture models over plain single-density statistical estimators, no proper mixtures of multivariate DNN-based component densities have been investigated so far. The paper fills this gap by extending our previous work on Neural Mixture Densities (NMMs) to multivariate DNN mixtures. A maximum-likelihood (ML) algorithm for estimating Deep NMMs (DNMMs) is handed out, which satisfies numerically a combination of hard and soft constraints aimed at ensuring satisfaction of Kolmogorov's axioms. The class of probability density functions that can be modeled to any degree of precision via DNMMs is formally defined. A procedure for the automatic selection of the DNMM architecture, as well as of the hyperparameters for its ML training algorithm, is presented (exploiting the probabilistic nature of the DNMM). Experimental results on univariate and multivariate data are reported on, corroborating the effectiveness of the approach and its superiority to the most popular statistical estimation techniques.

Current robotic evaluation is still largely dominated by binary success rates, which collapse rich execution processes into a single outcome and obscure critical qualities such as progress, efficiency, and stability. To address this limitation, we propose PRM-as-a-Judge, a dense evaluation paradigm that leverages Process Reward Models (PRMs) to audit policy execution directly from trajectory videos by estimating task progress from observation sequences. Central to this paradigm is the OPD (Outcome-Process-Diagnosis) metric system, which explicitly formalizes execution quality via a task-aligned progress potential. We characterize dense robotic evaluation through two axiomatic properties: macro-consistency, which requires additive and path-consistent aggregation, and micro-resolution, which requires sensitivity to fine-grained physical evolution. Under this formulation, potential-based PRM judges provide a natural instantiation of dense evaluation, with macro-consistency following directly from the induced scalar potential. We empirically validate the micro-resolution property using RoboPulse, a diagnostic benchmark specifically designed for probing micro-scale progress discrimination, where several trajectory-trained PRM judges outperform discriminative similarity-based methods and general-purpose foundation-model judges. Finally, leveraging PRM-as-a-Judge and the OPD metric system, we conduct a structured audit of mainstream policy paradigms across long-horizon tasks, revealing behavioral signatures and failure modes that are invisible to outcome-only metrics.

Decompilers are important tools for reverse engineers that help them analyze software at a higher level of abstraction than assembly. Unfortunately, because compilation is lossy, deterministic decompilers produce code that is missing many of the details that make source code readable in the first place, like variable names and types. Neural decompilers, on the other hand, offer the ability to statistically fill in these details. Existing work in neural decompilation, however, suffers from substantial drawbacks that limits its ability to handle real code: it is unable to handle user-defined composite types, which are essential to fully specifying many functions' semantics, or require test cases. In this work, we introduce a new training process to finetune any LLM into a neural decompiler capable of generating the appropriate user-defined types alongside the decompilation. We introduce a new dataset, Realtype, that includes substantially more complicated and realistic types than existing neural decompilation benchmarks. Motivated by the intuition that different parts of data structures can be operated upon by different parts of the program, we show that interprocedural context can help improve neural decompilers' ability to handle user-defined types. We show that our training process yields state-of-the-art results in neural decompilation. We also publicly release the Idioms series of finetuned neural decompilation models in support of open science. In summary, we identify the need for joint code and type prediction, show that it is a hard problem, and take the first steps towards solving it.

Identifying Out-of-distribution (OOD) data is becoming increasingly critical as the real-world applications of deep learning methods expand. Post-hoc methods modify softmax scores fine-tuned on outlier data or leverage intermediate feature layers to identify distinctive patterns between In-Distribution (ID) and OOD samples. Other methods focus on employing diverse OOD samples to learn discrepancies between ID and OOD. These techniques, however, are typically dependent on the quality of the outlier samples assumed. Density-based methods explicitly model class-conditioned distributions but this requires long training time or retraining the classifier. To tackle these issues, we introduce FlowCon, a new density-based OOD detection technique. Our main innovation lies in efficiently combining the properties of normalizing flow with supervised contrastive learning, ensuring robust representation learning with tractable density estimation. Empirical evaluation shows the enhanced performance of our method across common vision datasets such as CIFAR-10 and CIFAR-100 pretrained on ResNet18 and WideResNet classifiers. We also perform quantitative analysis using likelihood plots and qualitative visualization using UMAP embeddings and demonstrate the robustness of the proposed method under various OOD contexts. Code will be open-sourced post decision.

This technical report introduces VibeThinker-3B, a compact dense model with 3B parameters developed to investigate how far verifiable reasoning can be pushed within a strictly small-model regime. Building upon the Spectrum-to-Signal post-training paradigm, we systematically enhance the model through an optimized pipeline that includes curriculum-based supervised fine-tuning, multi-domain reinforcement learning, and offline self-distillation. Experimental evaluations demonstrate that VibeThinker-3B achieves frontier-level performance on highly demanding verifiable tasks. Specifically, it attains a score of 94.3 on AIME26 (improving to 97.1 with claim-level test-time scaling), an 80.2 Pass@1 on LiveCodeBench v6, and exhibits strong out-of-distribution generalization with a 96.1\% acceptance rate on recent unseen LeetCode contests. This effectively places it in the performance band of first-tier reasoning systems, matching or exceeding flagship models that are orders of magnitude larger, such as DeepSeek V3.2, GLM-5, and Gemini 3 Pro. Furthermore, a score of 93.4 on IFEval confirms that this extreme reasoning enhancement does not compromise strict instruction controllability. Extending our previous 1.5B work, these findings motivate the Parametric Compression-Coverage Hypothesis, which views verifiable reasoning as compressible into compact reasoning cores, while open-domain knowledge and general-purpose competence require broad parameter coverage over facts, concepts, and long-tail scenarios. This perspective suggests that compact models are not merely deployment-efficient substitutes, but a complementary path toward frontier-level performance in parameter-dense capability regimes.

Some security-development settings require local models that map an objective to an ordered, checkable plan. We present a low-rank decomposition adapter and release a case-disjoint corpus with 24 authored decompositions and 83 derived next-step examples across 24 satellite-security cases. To prevent reference-plan leakage, prompts contain one objective and eight shuffled SPARTA candidates. The evaluation candidate sets are constructed with oracle inclusion of every reference technique, so this study measures selection from a controlled set, not retrieval. On six fixed cases and five decoding seeds, mean scores vary across adapters and prompted Qwen2.5 baselines; a separate greedy check over three adapter training seeds shows non-negligible training variance. A 24-fold greedy leave-one-case-out control at the two compact sizes likewise shows tradeoffs: at 1.5B, adapter precision is 0.583 against 0.480 for two-shot prompting, while recall is 0.586 against 0.660. Case-resampling intervals for adapter precision relative to the strongest prompted baseline cross zero at 1.5B and 7B. The adapter is also substantially more format-compliant, which prevents attributing all score differences to selection. Autoregressive next-step accuracy is 0.08, 0.06, and 0.29 at 0.5B, 1.5B, and 7B. We therefore offer the formulation, leakage-controlled dataset, reproducibility package, and descriptive analysis as a proof of concept, not evidence of a reliable stand-alone decomposition system or a general adapter advantage. A separate diagnostic tests contract reuse.

The complexity of modern bioinformatics analysis has created a critical gap between data generation and developing scientific insights. While large language models (LLMs) have shown promise in scientific reasoning, they remain fundamentally limited when dealing with real-world analytical workflows that demand iterative computation, tool integration and rigorous validation. We introduce K-Dense Analyst, a hierarchical multi-agent system that achieves autonomous bioinformatics analysis through a dual-loop architecture. K-Dense Analyst, part of the broader K-Dense platform, couples planning with validated execution using specialized agents to decompose complex objectives into executable, verifiable tasks within secure computational environments. On BixBench, a comprehensive benchmark for open-ended biological analysis, K-Dense Analyst achieves 29.2% accuracy, surpassing the best-performing language model (GPT-5) by 6.3 percentage points, representing nearly 27% improvement over what is widely considered the most powerful LLM available. Remarkably, K-Dense Analyst achieves this performance using Gemini 2.5 Pro, which attains only 18.3% accuracy when used directly, demonstrating that our architectural innovations unlock capabilities far beyond the underlying model's baseline performance. Our insights demonstrate that autonomous scientific reasoning requires more than enhanced language models, it demands purpose-built systems that can bridge the gap between high-level scientific objectives and low-level computational execution. These results represent a significant advance toward fully autonomous computational biologists capable of accelerating discovery across the life sciences.

We search for dark matter (DM) annihilating subhalos of the Milky Way halo among the Fermi Large Area Telescope (LAT) unassociated sources. We construct, for the first time, a statistical model of the unassociated sources at latitudes above 10 degrees. The latter is built as a combination of both DM annihilation subhalos as well as Galactic and extragalactic astrophysical components. The astrophysical components are constructed based on distributions of associated sources, while the distribution of DM subhalos is derived from Monte Carlo simulations. In this model we take into account the differences in the distributions of associated and unassociated sources including both covariate and prior probability shifts (both being forms of ``dataset shifts''). Previous searches of DM subhalos were based on classify-and-count strategies, while the approach adopted in this work is based on quantification learning, which allows one to determine a well-defined statistical interpretation of the contribution of a population of DM subhalos to the unassociated Fermi-LAT sources. In the bb annihilation channel and for a range of DM masses from 10 GeV to 1 TeV, we don't find a significant contribution from DM subhalos and derive a statistical 95% confidence upper limit on the DM annihilation cross section in this channel. While the derived limits are consistent with previous classify-and-count approaches, our generative statistical model opens new avenues for population studies of Fermi-LAT sources and, more generally, for searches of anomalies on top of backgrounds in presence of statistical and systematic uncertainties.

Computer-using agents (CUAs) are becoming increasingly capable; however, it remains difficult to scale evaluation of whether a trajectory truly fulfills a user instruction. In this work, we study reward modeling from execution video: a sequence of keyframes from an agent trajectory that is independent of the agent's internal reasoning or actions. Although video-execution modeling is method-agnostic, it presents key challenges, including highly redundant layouts and subtle, localized cues that determine success. We introduce Execution Video Reward 53k (ExeVR-53k), a dataset of 53k high-quality video--task--reward triplets. We further propose adversarial instruction translation to synthesize negative samples with step-level annotations. To enable learning from long, high-resolution execution videos, we design spatiotemporal token pruning, which removes homogeneous regions and persistent tokens while preserving decisive UI changes. Building on these components, we fine-tune an Execution Video Reward Model (ExeVRM) that takes only a user instruction and a video-execution sequence to predict task success. Our ExeVRM 8B achieves 84.7% accuracy and 87.7% recall on video-execution assessment, outperforming strong proprietary models such as GPT-5.2 and Gemini-3 Pro across Ubuntu, macOS, Windows, and Android, while providing more precise temporal attribution. These results show that video-execution reward modeling can serve as a scalable, model-agnostic evaluator for CUAs.

Production-grade LLM systems require robust adherence to dozens or even hundreds of instructions simultaneously. However, the instruction-following capabilities of LLMs at high instruction densities have not yet been characterized, as existing benchmarks only evaluate models on tasks with a single or few instructions. We introduce IFScale, a simple benchmark of 500 keyword-inclusion instructions for a business report writing task to measure how instruction-following performance degrades as instruction density increases. We evaluate 20 state-of-the-art models across seven major providers and find that even the best frontier models only achieve 68% accuracy at the max density of 500 instructions. Our analysis reveals model size and reasoning capability to correlate with 3 distinct performance degradation patterns, bias towards earlier instructions, and distinct categories of instruction-following errors. Our insights can help inform design of instruction-dense prompts in real-world applications and highlight important performance-latency tradeoffs. We open-source the benchmark and all results for further analysis at https://distylai.github.io/IFScale.

Instruction tuning has become a foundation for unlocking the capabilities of large-scale pretrained models and improving their performance on complex tasks. Thus, the construction of high-quality instruction datasets is crucial for enhancing model performance and generalizability. Although current instruction datasets have reached tens of millions of samples, models finetuned on them may still struggle with complex instruction following and tasks in rare domains. This is primarily due to limited expansion in both ``coverage'' (coverage of task types and knowledge areas) and ``depth'' (instruction complexity) of the instruction set. To address this issue, we propose a systematic instruction data construction framework, which integrates a hierarchical labeling system, an informative seed selection algorithm, an evolutionary data synthesis process, and a model deficiency diagnosis with targeted data generation. These components form an iterative closed-loop to continuously enhance the coverage and depth of instruction data. Based on this framework, we construct InfinityInstruct-Subject, a high-quality dataset containing ~1.5 million instructions. Experiments on multiple foundation models and benchmark tasks demonstrate its effectiveness in improving instruction-following capabilities. Further analyses suggest that InfinityInstruct-Subject shows enlarged coverage and depth compared to comparable synthesized instruction datasets. Our work lays a theoretical and practical foundation for the efficient, continuous evolution of instruction datasets, moving from data quantity expansion to qualitative improvement.

We propose a physics-informed neural particle method (PINN--PM) for the spatially homogeneous Landau equation. The method adopts a Lagrangian interacting-particle formulation and jointly parameterizes the time-dependent score and the characteristic flow map with neural networks. Instead of advancing particles through explicit time stepping, the Landau dynamics is enforced via a continuous-time residual defined along particle trajectories. This design removes time-discretization error and yields a mesh-free solver that can be queried at arbitrary times without sequential integration. We establish a rigorous stability analysis in an L^2_v framework. The deviation between learned and exact characteristics is controlled by three interpretable sources: (i) score approximation error, (ii) empirical particle approximation error, and (iii) the physics residual of the neural flow. This trajectory estimate propagates to density reconstruction, where we derive an L^2_v error bound for kernel density estimators combining classical bias--variance terms with a trajectory-induced contribution. Using Hyvarinen's identity, we further relate the oracle score-matching gap to the L^2_v score error and show that the empirical loss concentrates at the Monte Carlo rate, yielding computable a posteriori accuracy certificates. Numerical experiments on analytical benchmarks, including the two- and three-dimensional BKW solutions, as well as reference-free configurations, demonstrate stable transport, preservation of macroscopic invariants, and competitive or improved accuracy compared with time-stepping score-based particle and blob methods while using significantly fewer particles.

LLM inference is still evaluated mainly as a model or software problem: accuracy, latency, throughput, and hardware utilization. This is incomplete. At deployment scale, the relevant output is a quality-conditioned token produced under joint constraints from effective compute, delivered data-center power, cooling capacity, PUE, and utilization. We argue that the ML community should treat inference as energy-to-token production. We formalize this view with a dimensionally consistent Token Production Function in which token rate is bounded by both compute-per-token and energy-per-token ceilings. Listed API prices vary by over an order of magnitude across providers, but we use price dispersion only as directional motivation, not as causal evidence of marginal cost. The core physical question is instead: under fixed quality and service targets, when does the binding constraint move from theoretical peak compute toward delivered power, cooling, and operational efficiency? Under this framing, system optimizations -- latent KV-cache compression, sparse or heavily compressed attention, quantization, routing, and difficulty-adaptive reasoning -- are not merely local engineering tricks. They are energy-to-token levers because they reduce FLOPs/token, joules/token, memory traffic, or utilization losses under fixed (q^{*},s^{*}). We therefore call for inference papers and benchmarks to report Joules/token, active binding constraint, PUE-adjusted delivered power, and utilization-adjusted token output alongside accuracy and latency.

Large language models generate plausible code but cannot verify correctness. Existing multi-agent systems simulate execution or leave verification optional. We introduce execution-grounded verification as a first-class principle: every code change must survive sandboxed execution before propagation. We instantiate this principle in AGENTFORGE, a multi-agent framework where Planner, Coder, Tester, Debugger, and Critic agents coordinate through shared memory and a mandatory Docker sandbox. We formalize software engineering with LLMs as an iterative decision process over repository states, where execution feedback provides a stronger supervision signal than next-token likelihood. AGENTFORGE achieves 40.0\% resolution on SWE-BENCH Lite, outperforming single-agent baselines by 26--28 points. Ablations confirm that execution feedback and role decomposition each independently drive performance. The framework is open-source at https://github.com/raja21068/AutoCodeAI.

Near-term quantum workloads are shaped by coupled compilation and execution choices: qubit layout, routing, basis translation, gate suppression, measurement mitigation, shot budget, and artifact reproducibility. This paper analyzes QBalance, a Python workflow library for dataset-level selection among quantum compilation, noise-suppression, and error-mitigation strategies built on the Qiskit ecosystem. The contribution is formulated as a finite multi-objective strategy-selection problem over circuits, backends, and transformation policies. The manuscript derives the implemented weighted objective, non-dominated selection rule, survival-product error proxy, Bayesian linear candidate-ordering surrogate, and distributional diagnostics. It also positions the system relative to established work on Qiskit pass-manager compilation, SABRE-style routing, randomized compiling, dynamical decoupling, zero-noise extrapolation, matrix-free measurement mitigation, circuit cutting, and Thompson sampling. The analysis shows that QBalance provides a reproducible orchestration and artifact model for quantum workflow studies. It also establishes precise limitations: the current bandit mechanism orders candidates but does not reduce the number of candidate evaluations, the custom layout heuristic is greedy and only partially topology-aware, the implemented ZNE helper is parity-centered, and the cutting integration is a hook rather than a full reconstruction pipeline.

Key-Value (KV) Caching has become an essential technique for accelerating the inference speed and throughput of generative Large Language Models~(LLMs). However, the memory footprint of the KV cache poses a critical bottleneck in LLM deployment as the cache size grows with batch size and sequence length, often surpassing even the size of the model itself. Although recent methods were proposed to select and evict unimportant KV pairs from the cache to reduce memory consumption, the potential ramifications of eviction on the generative process are yet to be thoroughly examined. In this paper, we examine the detrimental impact of cache eviction and observe that unforeseen risks arise as the information contained in the KV pairs is exhaustively discarded, resulting in safety breaches, hallucinations, and context loss. Surprisingly, we find that preserving even a small amount of information contained in the evicted KV pairs via reduced precision quantization substantially recovers the incurred degradation. On the other hand, we observe that the important KV pairs must be kept at a relatively higher precision to safeguard the generation quality. Motivated by these observations, we propose Mixed-precision KV cache~(MiKV), a reliable cache compression method that simultaneously preserves the context details by retaining the evicted KV pairs in low-precision and ensure generation quality by keeping the important KV pairs in high-precision. Experiments on diverse benchmarks and LLM backbones show that our proposed method offers a state-of-the-art trade-off between compression ratio and performance, compared to other baselines.

The foundational pretraining phase determines a model's capability ceiling, as post-training struggles to overcome capability foundations established during pretraining, yet it remains critically under-explored. This stems from a structural paradox: organizations with computational resources operate under commercial pressures that inhibit transparent disclosure, while academic institutions possess research freedom but lack pretraining-scale computational resources. daVinci-LLM occupies this unexplored intersection, combining industrial-scale resources with full research freedom to advance the science of pretraining. We adopt a fully-open paradigm that treats openness as scientific methodology, releasing complete data processing pipelines, full training processes, and systematic exploration results. Recognizing that the field lacks systematic methodology for data processing, we employ the Data Darwinism framework, a principled L0-L9 taxonomy from filtering to synthesis. We train a 3B-parameter model from random initialization across 8T tokens using a two-stage adaptive curriculum that progressively shifts from foundational capabilities to reasoning-intensive enhancement. Through 200+ controlled ablations, we establish that: processing depth systematically enhances capabilities, establishing it as a critical dimension alongside volume scaling; different domains exhibit distinct saturation dynamics, necessitating adaptive strategies from proportion adjustments to format shifts; compositional balance enables targeted intensification while preventing performance collapse; how evaluation protocol choices shape our understanding of pretraining progress. By releasing the complete exploration process, we enable the community to build upon our findings and systematic methodologies to form accumulative scientific knowledge in pretraining.

Software engineering, whether performed by humans or by AI agents, requires reasoning about how software behaves. We call the internal model that supports such reasoning the software world model, and view current code-execution benchmarks as covering one well-studied slice of it -- control flow. In this paper, we take a step toward a broader evaluation by shifting the observable axis to execution resources: alongside test outcome and exception class, we predict peak memory, wall-clock time, and ranked profiler outputs at method and line granularity. We use SWE-bench Verified as the source of data to hold the test close to real-world software engineering tasks. All tested models, frontier ones included, show modest performance and brittle behaviour, suggesting a notable lack of understanding of how software is executed, as opposed to how its source code is written.

The singlet-doublet vector-like fermion dark matter model has been extensively studied in the literature over the past decade. An important parameter in this model is the singlet-doublet mixing angle (sintheta). All the previous studies have primarily focused on annihilation and co-annihilation processes for obtaining the correct dark matter relic density, assuming that the singlet and doublet components decouple at the same epoch. In this work, we demonstrate that this assumption holds only for larger mixing angles with a dependency on the mass of the dark matter. However, it badly fails for the mixing angle sintheta<0.05. We present a systematic study of the parameter space of the singlet-doublet dark matter relic, incorporating annihilation, co-annihilation, and, for the first time, co-scattering processes. Additionally, the freeze-in parameter space is also explored. We found that due to the inclusion of co-scattering processes, the correct relic density parameter space is shifted towards the detection sensitivity range of the LHC and MATHUSLA via displaced vertex signatures.

Cryo-electron microscopy (cryo-EM) is a powerful technique in structural biology and drug discovery, enabling the study of biomolecules at high resolution. Significant advancements by structural biologists using cryo-EM have led to the production of over 38,626 protein density maps at various resolutions1. However, cryo-EM data processing algorithms have yet to fully benefit from our knowledge of biomolecular density maps, with only a few recent models being data-driven but limited to specific tasks. In this study, we present CryoFM, a foundation model designed as a generative model, learning the distribution of high-quality density maps and generalizing effectively to downstream tasks. Built on flow matching, CryoFM is trained to accurately capture the prior distribution of biomolecular density maps. Furthermore, we introduce a flow posterior sampling method that leverages CRYOFM as a flexible prior for several downstream tasks in cryo-EM and cryo-electron tomography (cryo-ET) without the need for fine-tuning, achieving state-of-the-art performance on most tasks and demonstrating its potential as a foundational model for broader applications in these fields.

Automated AI research holds great potential to accelerate scientific discovery. However, current LLMs often generate plausible-looking but ineffective ideas. Execution grounding may help, but it is unclear whether automated execution is feasible and whether LLMs can learn from the execution feedback. To investigate these, we first build an automated executor to implement ideas and launch large-scale parallel GPU experiments to verify their effectiveness. We then convert two realistic research problems - LLM pre-training and post-training - into execution environments and demonstrate that our automated executor can implement a large fraction of the ideas sampled from frontier LLMs. We analyze two methods to learn from the execution feedback: evolutionary search and reinforcement learning. Execution-guided evolutionary search is sample-efficient: it finds a method that significantly outperforms the GRPO baseline (69.4% vs 48.0%) on post-training, and finds a pre-training recipe that outperforms the nanoGPT baseline (19.7 minutes vs 35.9 minutes) on pre-training, all within just ten search epochs. Frontier LLMs often generate meaningful algorithmic ideas during search, but they tend to saturate early and only occasionally exhibit scaling trends. Reinforcement learning from execution reward, on the other hand, suffers from mode collapse. It successfully improves the average reward of the ideator model but not the upper-bound, due to models converging on simple ideas. We thoroughly analyze the executed ideas and training dynamics to facilitate future efforts towards execution-grounded automated AI research.

Recent progress in autonomous code generation has fueled excitement around AI agents capable of accelerating scientific discovery by running experiments. However, there is currently no benchmark that evaluates whether such agents can implement scientific ideas when given varied amounts of code as a starting point, interpolating between reproduction (running code) and from-scratch replication (fully re-implementing and running code). We introduce AutoExperiment, a benchmark that evaluates AI agents' ability to implement and run machine learning experiments based on natural language descriptions in research papers. In each task, agents are given a research paper, a codebase with key functions masked out, and a command to run the experiment. The goal is to generate the missing code, execute the experiment in a sandboxed environment, and reproduce the results. AutoExperiment scales in difficulty by varying the number of missing functions n, ranging from partial reproduction to full replication. We evaluate state-of-the-art agents and find that performance degrades rapidly as n increases. Agents that can dynamically interact with the environment (e.g. to debug their code) can outperform agents in fixed "agentless" harnesses, and there exists a significant gap between single-shot and multi-trial success rates (Pass@1 vs. Pass@5), motivating verifier approaches to our benchmark. Our findings highlight critical challenges in long-horizon code generation, context retrieval, and autonomous experiment execution, establishing AutoExperiment as a new benchmark for evaluating progress in AI-driven scientific experimentation. Our data and code are open-sourced at https://github.com/j1mk1m/AutoExperiment .

Large language models (LLMs) exhibit degraded performance under prompt compression, but the mechanisms remain poorly understood. We introduce the Compression-Decay Comprehension Test (CDCT), a benchmark that independently measures constraint compliance (CC) and semantic accuracy (SA) across compression levels. We evaluate 9 frontier LLMs across 8 concepts using 5 compression levels from extreme (c=0.0, ~2 words) to none (c=1.0, ~135 words). A three-judge LLM jury achieves almost perfect inter-rater agreement on CC (Fleiss' appa=0.90). We observe a universal U-curve pattern in constraint compliance (97.2% prevalence), with violations peaking at medium compression (c=0.5, ~27 words). Counterintuitively, models perform better at extreme compression than medium lengths. The dimensions are statistically orthogonal (r=0.193, p=0.084), with constraint effects 2.9x larger than semantic effects. Experimental validation via RLHF ablation confirms our constraint salience hypothesis: removing "helpfulness" signals improves CC by 598% on average (71/72 trials, p<0.001), with 79% achieving perfect compliance. This demonstrates that RLHF-trained helpfulness behaviors are the dominant cause of constraint violations at medium compression. Reasoning models outperform efficient models by 27.5% (Cohen's d=0.96). Our findings reveal a fundamental tension between RLHF alignment and instruction-following, providing actionable guidelines for improving deployed systems.

We apply the Weibull distribution -- a two-parameter family from extreme-value theory -- as a diagnostic framework for element-wise weight magnitude distributions in transformers. At initialization, i.i.d. Gaussian weights give |w| ~ HalfNormal, yielding k ~ 1.20 via middle-80% probability-plot fit (the protocol used throughout this work). This anchor makes k a principled, architecture-independent measuring stick for training dynamics; fitting each weight matrix independently at every layer at every checkpoint enables per-component, per-layer, and per-step diagnostics that aggregate statistics cannot resolve. Applying this framework to 12 model entries spanning 7 architectural families (Pythia, OLMo-1/2, LLaMA-3, Mistral, Qwen2.5/3) reveals three findings. First, FFN modules and the attention output projection W_o -- the Transmission Class -- fall in a narrow k band: median terminal k in [1.186, 1.204] across 12 entries (cross-family CV = 0.51%), shared across SwiGLU/GeLU activations, Pre-LN/QK-Norm placements, and 70M-14B sizes. Second, the attention input projections W_q, W_k -- the Selection Class -- depart from the Weibull family, with severity shaped by storage: separately-stored Q/K (OLMo-1, OLMo-2) yields k in [0.76, 0.99] (deep); GQA models yield k in [1.10, 1.16] (mild); Pythia's merged W_qkv occupies a transitional zone tracking training budget T/tau monotonically. Third, lambda grows substantially during training and scales with sqrt(eta/lambda_wd) within the Pythia family (Pearson r = 0.94, three Transmission kinds), directionally consistent with Fan et al. (2025). The two parameters carry independent information: k labels the functional class, lambda labels training progress. We release npm-weibull-py v0.4 (Python library) and DATABASE_v9_1 at https://github.com/tiexinding/NPM-Weibull-public .

We present TraDE, a self-attention-based architecture for auto-regressive density estimation with continuous and discrete valued data. Our model is trained using a penalized maximum likelihood objective, which ensures that samples from the density estimate resemble the training data distribution. The use of self-attention means that the model need not retain conditional sufficient statistics during the auto-regressive process beyond what is needed for each covariate. On standard tabular and image data benchmarks, TraDE produces significantly better density estimates than existing approaches such as normalizing flow estimators and recurrent auto-regressive models. However log-likelihood on held-out data only partially reflects how useful these estimates are in real-world applications. In order to systematically evaluate density estimators, we present a suite of tasks such as regression using generated samples, out-of-distribution detection, and robustness to noise in the training data and demonstrate that TraDE works well in these scenarios.

Instruction tuning is a burgeoning method to elicit the general intelligence of Large Language Models (LLMs). However, the creation of instruction data is still largely heuristic, leading to significant variation in quality and distribution across existing datasets. Experimental conclusions drawn from these datasets are also inconsistent, with some studies emphasizing the importance of scaling instruction numbers, while others argue that a limited number of samples suffice. To better understand data construction guidelines, we deepen our focus from the overall model performance to the growth of each underlying ability, such as creative writing, code generation, and logical reasoning. We systematically investigate the effects of data volume, parameter size, and data construction methods on the development of various abilities, using hundreds of model checkpoints (7b to 33b) fully instruction-tuned on a new collection of over 40k human-curated instruction data. This proposed dataset is stringently quality-controlled and categorized into ten distinct LLM abilities. Our study reveals three primary findings: (i) Despite data volume and parameter scale directly impacting models' overall performance, some abilities are more responsive to their increases and can be effectively trained using limited data, while some are highly resistant to these changes. (ii) Human-curated data strongly outperforms synthetic data from GPT-4 in efficiency and can constantly enhance model performance with volume increases, but is unachievable with synthetic data. (iii) Instruction data brings powerful cross-ability generalization, with evaluation results on out-of-domain data mirroring the first two observations. Furthermore, we demonstrate how these findings can guide more efficient data constructions, leading to practical performance improvements on public benchmarks.

Large Language Models are routinely compressed via post-training quantization to reduce inference costs and memory footprint for cloud and edge deployment, yet the impact of this compression on model quality remains poorly understood. Existing studies typically compare only two conditions (full-precision vs. a single quantized variant), rely on aggregate bias metrics, and evaluate a single model family, making it impossible to distinguish gradual degradation from threshold-dependent safety failures. We conduct a controlled empirical study of three instruction-tuned models (Qwen2.5-7B, Mistral-7B, Phi-3.5-mini) at five precision levels (BF16 through 3-bit) on 12,148 BBQ bias benchmark items across 5 random seeds, totaling 911,100 inference records. Our results reveal that 3-bit quantization causes 6-21% of previously unbiased items to develop new stereotypical behaviors, following a clear dose-response pattern confirmed via logistic regression, while models' willingness to select "unknown" answers declines by 17.4%. Crucially, these item-level changes are invisible to standard quality metrics: perplexity increases by less than 0.5% at 8-bit and under 3% at 4-bit across all three models, yet 2.5-5.6% of items already develop new biases at 4-bit. These findings demonstrate that aggregate evaluation metrics systematically miss fairness-critical degradation, underscoring the need for quality-aware compression protocols that explicitly test for bias emergence before deployment.

A multi-agent pipeline with N agents typically issues N LLM calls per run. Merging agents into fewer calls (compound execution) promises token savings, but naively merged calls silently degrade quality through tool loss and prompt compression. We present Agent Capsules, an adaptive execution runtime that treats multi-agent pipeline execution as an optimization problem with empirical quality constraints. The runtime instruments coordination overhead per group, scores composition opportunity, selects among three compound execution strategies, and gates every mode switch on rolling-mean output quality. A controlled negative result confirms that injecting more context into a merged call worsens compression rather than relieving it, so the framework's escalation ladder (standard, then two-phase, then sequential) recovers quality by moving toward per-agent dispatch rather than by rewriting merged prompts. On LLM-judged quality, the controller matches a hand-tuned oracle on every measured (model, group, mode) cell: routing compound whenever the oracle would, and reverting to fine whenever quality would fail the floor, without per-model configuration. Against a hand-crafted LangGraph implementation of a 14-agent competitive intelligence pipeline, Agent Capsules uses 51% fewer fine-mode input tokens and 42% fewer compound-mode input tokens, at +0.020 and +0.017 quality respectively. Against a DSPy implementation of a 5-agent due diligence pipeline, the framework uses 19% fewer tokens than uncompiled DSPy at quality parity, and 68% fewer tokens than MIPROv2 at +0.052 quality. Even before compound mode fires, the runtime delivers efficiency through automatic policy resolution, cache-aligned prompts, and topology-aware context injection, matching both hand-tuned and compile-time baselines without training data or per-pipeline engineering.

We study a capability the dominant paradigm in synthetic tabular data does not provide: exact satisfaction of a declared analytical outcome with no source data. Imitation methods (copulas, GANs, diffusion) learn a real distribution and sample from it, and are judged on fidelity to real data. A large, practical class of needs is different: generating data with no source data ("cold start") that reproduces a declared outcome (a revenue curve, a churn rate, a group share) across a relational schema. Off-the-shelf imitation tools offer no interface for such targets, and no sampler can hit an exact aggregate, because sampling has variance. On a real public dataset, off-the-shelf learned synthesizers trained on that very data miss the declared monthly aggregate by 74 to 86 percent; a per-period steelman cuts the miss to about 19 percent and still cannot reach 0; a closed-form generator reaches exactly 0. We name this task outcome-conformant synthesis, argue its evaluation axis is conformance rather than fidelity, and show the two axes are orthogonal. We contribute: (1) a formal account showing a widely-used family of exact-aggregate generators is exactly conditional-sum sampling of a Gamma population (via Lukacs' characterization), with closed-form exactness, a closed-form marginal CV, and scale-invariance; a controlled experiment maps the boundary, enforcing the exact aggregate costs at most 0.006 in 1-Wasserstein distance to an arbitrary external marginal, the rest being shape-family mismatch; (2) SpecBench, to our knowledge the first benchmark to measure conformance to analytical outcomes for cold-start relational synthesis; and (3) a closed-form, deterministic reference system. Exact aggregation alone is trivial; the contribution is conformance jointly with closed-form marginals, integrity, determinism, and zero source data. We concede fidelity to imitation where real data exists.

Modern language models define distributions over strings, but downstream tasks often require different output formats. For instance, a model that generates byte-pair strings does not directly produce word-level predictions, and a DNA model does not directly produce amino-acid sequences. In such cases, a deterministic string-to-string transformation can convert the model's output to the desired form. This is a familiar pattern in probability theory: applying a function f to a random variable Xsim p yields a transformed random variable f(X) with an induced distribution. While such transformations are occasionally used in language modeling, prior work does not treat them as yielding new, fully functional language models. We formalize this perspective and introduce a general framework for language models derived from deterministic string-to-string transformations. We focus on transformations representable as finite-state transducers -- a commonly used state-machine abstraction for efficient string-to-string mappings. We develop algorithms that compose a language model with an FST to *marginalize* over source strings mapping to a given target, propagating probabilities through the transducer without altering model parameters and enabling *conditioning* on transformed outputs. We present an exact algorithm, an efficient approximation, and a theoretical analysis. We conduct experiments in three domains: converting language models from tokens to bytes, from tokens to words, and from DNA to amino acids. These experiments demonstrate inference-time adaptation of pretrained language models to match application-specific output requirements.

With the growing demand for applying large language models to downstream tasks, improving model alignment performance and efficiency has become crucial. Such a process involves selecting informative instructions from a candidate pool. However, due to the complexity of instruction set distributions, the key factors driving the performance of aligned models remain unclear. As a result, current instruction set refinement methods fail to improve performance as the instruction pool expands continuously. To address this issue, we first investigate the key factors that influence the relationship between instruction dataset distribution and aligned model performance. Based on these insights, we propose a novel instruction data selection method. We identify that the depth of instructions and the coverage of the semantic space are the crucial factors determining downstream performance, which could explain over 70\% of the model loss on the development set. We then design an instruction selection algorithm to simultaneously maximize the depth and semantic coverage of the selected instructions. Experimental results demonstrate that, compared to state-of-the-art baseline methods, it can sustainably improve model performance at a faster pace and thus achieve ``Accelerated Scaling''.

Decompilation transforms compiled code back into a high-level programming language for analysis when source code is unavailable. Previous work has primarily focused on enhancing decompilation performance by increasing the scale of model parameters or training data for pre-training. Based on the characteristics of the decompilation task, we propose two methods: (1) Without fine-tuning, the Self-Constructed Context Decompilation (sc^2dec) method recompiles the LLM's decompilation results to construct pairs for in-context learning, helping the model improve decompilation performance. (2) Fine-grained Alignment Enhancement (FAE), which meticulously aligns assembly code with source code at the statement level by leveraging debugging information, is employed during the fine-tuning phase to achieve further improvements in decompilation. By integrating these two methods, we achieved a Re-Executability performance improvement of approximately 7.35\% on the Decompile-Eval benchmark, establishing a new state-of-the-art performance of 55.03\%.

LLM-agent services repeatedly execute small deterministic transitions between model and tool calls: route an outcome, update state, and emit the next effect. We ask when this control path exposes enough concurrent work for GPU execution, and what changes when a GPU-computed route decision remains on device. We formalize the ready-cohort boundary using fixed-partition share F, exact offline share P*, local upper bound U, and online achieved share A. Under zero service time, unlimited capacity, and equal relative launch deadlines, a specialized dynamic program computes P* exactly. In a stationary Poisson replay of one pinned 851-session public trace panel, the primary condition at 100,000 target active sessions, K=256, and a 50 ms launch deadline gives F=30.19%, P*=43.00%, and U=45.85%. Exact packing recovers 81.83% of the opportunity lost at fixed window boundaries. The outcome-derived route key is a conditioning proxy, not proof of executable identity. A separate mechanism study keeps a GPU-computed binary decision on device instead of returning four bytes to the host and redispatching. Across four named GPU placements, the device-resident path is faster in all 36 configurations; within-placement row-median ratios range from 1.19x to 2.39x. Across both admissible mechanisms, all 14,557,440 tested batched invocations match a separately implemented host oracle. A fixed nested device graph that removes no host decision is slower in all 60 configurations across five placements. Together, the studies establish two measurable gates for GPU agent control: deadline-feasible cohort supply and observation placement. A joined finite online runtime is required to measure A, CPU displacement, and service-level benefit.

Recent advances in LLM-based decompilers have been shown effective to convert low-level binaries into human-readable source code. However, there still lacks a comprehensive benchmark that provides large-scale binary-source function pairs, which is critical for advancing the LLM decompilation technology. Creating accurate binary-source mappings incurs severe issues caused by complex compilation settings and widespread function inlining that obscure the correspondence between binaries and their original source code. Previous efforts have either relied on used contest-style benchmarks, synthetic binary-source mappings that diverge significantly from the mappings in real world, or partially matched binaries with only code lines or variable names, compromising the effectiveness of analyzing the binary functionality. To alleviate these issues, we introduce Decompile-Bench, the first open-source dataset comprising two million binary-source function pairs condensed from 100 million collected function pairs, i.e., 450GB of binaries compiled from permissively licensed GitHub projects. For the evaluation purposes, we also developed a benchmark Decompile-Bench-Eval including manually crafted binaries from the well-established HumanEval and MBPP, alongside the compiled GitHub repositories released after 2025 to mitigate data leakage issues. We further explore commonly-used evaluation metrics to provide a thorough assessment of the studied LLM decompilers and find that fine-tuning with Decompile-Bench causes a 20% improvement over previous benchmarks in terms of the re-executability rate. Our code and data has been released in HuggingFace and Github. https://github.com/albertan017/LLM4Decompile

Since the advent of reasoning-based large language models, many have found great success from distilling reasoning capabilities into student models. Such techniques have significantly bridged the gap between reasoning and standard LLMs on coding tasks. Despite this, much of the progress on distilling reasoning models remains locked behind proprietary datasets or lacks details on data curation, filtering and subsequent training. To address this, we construct a superior supervised fine-tuning (SFT) dataset that we use to achieve state-of-the-art coding capability results in models of various sizes. Our distilled models use only SFT to achieve 61.8% on LiveCodeBench and 24.6% on CodeContests, surpassing alternatives trained with reinforcement learning. We then perform analysis on the data sources used to construct our dataset, the impact of code execution filtering, and the importance of instruction/solution diversity. We observe that execution filtering negatively affected benchmark accuracy, leading us to prioritize instruction diversity over solution correctness. Finally, we also analyze the token efficiency and reasoning patterns utilized by these models. We will open-source these datasets and distilled models to the community.

We study stellar core growth in simulations of merging massive (M_star>10^{11},M_odot) elliptical galaxies by a supermassive black hole (SMBH) displaced by gravitational wave induced recoil velocity. With controlled, dense sampling of the SMBH recoil velocity, we find the core radius originally formed by SMBH binary scouring can grow by a factor of 2-3 when the recoil velocity exceeds sim50 per cent of the central escape velocity, and the mass deficit grows by up to a factor of sim4. Using Bayesian inference we predict the distribution of stellar core sizes formed through this process to peak at sim1,kpc. An orbital decomposition of stellar particles within the core reveals that radial orbits dominate over tube orbits when the recoil velocity exceeds the velocity dispersion of the core, whereas tube orbits dominate for the lowest recoil kicks. A change in orbital structure is reflected in the anisotropy parameter, with a central tangential bias present only for recoil velocities less than the local stellar velocity dispersion. Emulating current integral field unit observations of the stellar line-of-sight velocity distribution, we uncover a distinct signature in the Gauss-Hermite symmetric deviation coefficient h_4 that uniquely constrains the core size due to binary scouring. This signature is insensitive to the later evolution of the stellar mass distribution due to SMBH recoil. Our results provide a novel method to estimate the SMBH recoil magnitude from observations of local elliptical galaxies, and implies these galaxies primarily experienced recoil velocities less than the stellar velocity dispersion of the core.

Large Language Models (LLMs) have catalyzed vibe coding, where users leverage LLMs to generate and iteratively refine code through natural language interactions until it passes their vibe check. Vibe check is tied to real-world human preference and goes beyond functionality: the solution should feel right, read cleanly, preserve intent, and remain correct. However, current code evaluation remains anchored to pass@k and captures only functional correctness, overlooking the non-functional instructions that users routinely apply. In this paper, we hypothesize that instruction following is the missing piece underlying vibe check that represents human preference in coding besides functional correctness. To quantify models' code instruction following capabilities with measurable signals, we present VeriCode, a taxonomy of 30 verifiable code instructions together with corresponding deterministic verifiers. We use the taxonomy to augment established evaluation suites, resulting in Vibe Checker, a testbed to assess both code instruction following and functional correctness. Upon evaluating 31 leading LLMs, we show that even the strongest models struggle to comply with multiple instructions and exhibit clear functional regression. Most importantly, a composite score of functional correctness and instruction following correlates the best with human preference, with the latter emerging as the primary differentiator on real-world programming tasks. Our work identifies core factors of the vibe check, providing a concrete path for benchmarking and developing models that better align with user preferences in coding.

For a real quadratic field Q(d), we study the norm-form energy N = S_ζ^2 - d cdot S_L^2, where S_ζ and S_L are Lorentzian-weighted zero sums with w(ρ) = 2/(1/4 + γ^2). We prove three main results. (1) Spacelike spectral data: N < 0 unconditionally for all squarefree d > 1, as a consequence of a low-lying zero dominance theorem proved via explicit zero-counting. (2) Effective density bound: at each verified truncation level M, dens{N > 0} leq 2|f_{S_L^{(M)}}|_infty cdot (W_1(ζ)/d + ε_M), established unconditionally via Jacobi--Anger resonance analysis. (3) Exact asymptotic: under the computationally verified hypothesis that the infinite resonance lattice Λ_infty has finite rank (verified for M leq 20, where rank = 0), the sharp asymptotic dens{N > 0} = C(d)/d + o(1/d) holds. For d = 5, C(5) = 2,f_{S_L}(0)cdotE[|S_ζ|] = 0.1191; the constant depends on d through the zeros of L(s,χ_d), and C(d) = O(1/log d) as d to infty.

The gradual insertion method for direct calculation of the chemical potential by molecular simulation is applied in the NpT ensemble to different quadrupolar two-centre Lennard-Jones fluids at high density state points. The results agree well with Widom's test particle insertion but show at very high densities significantly smaller statistical uncertainties. The gradual insertion method, which is coupled here with preferential sampling, extends the density range where reliable information on the chemical potential can be obtained. Application details are reported.

Recent advancements in reasoning language models have demonstrated remarkable performance in complex tasks, but their extended chain-of-thought reasoning process increases inference overhead. While quantization has been widely adopted to reduce the inference cost of large language models, its impact on reasoning models remains understudied. In this study, we conduct the first systematic study on quantized reasoning models, evaluating the open-sourced DeepSeek-R1-Distilled Qwen and LLaMA families ranging from 1.5B to 70B parameters, and QwQ-32B. Our investigation covers weight, KV cache, and activation quantization using state-of-the-art algorithms at varying bit-widths, with extensive evaluation across mathematical (AIME, MATH-500), scientific (GPQA), and programming (LiveCodeBench) reasoning benchmarks. Our findings reveal that while lossless quantization can be achieved with W8A8 or W4A16 quantization, lower bit-widths introduce significant accuracy risks. We further identify model size, model origin, and task difficulty as critical determinants of performance. Contrary to expectations, quantized models do not exhibit increased output lengths. In addition, strategically scaling the model sizes or reasoning steps can effectively enhance the performance. All quantized models and codes will be open-sourced in https://github.com/ruikangliu/Quantized-Reasoning-Models.

Simulation-based inference with conditional neural density estimators is a powerful approach to solving inverse problems in science. However, these methods typically treat the underlying forward model as a black box, with no way to exploit geometric properties such as equivariances. Equivariances are common in scientific models, however integrating them directly into expressive inference networks (such as normalizing flows) is not straightforward. We here describe an alternative method to incorporate equivariances under joint transformations of parameters and data. Our method -- called group equivariant neural posterior estimation (GNPE) -- is based on self-consistently standardizing the "pose" of the data while estimating the posterior over parameters. It is architecture-independent, and applies both to exact and approximate equivariances. As a real-world application, we use GNPE for amortized inference of astrophysical binary black hole systems from gravitational-wave observations. We show that GNPE achieves state-of-the-art accuracy while reducing inference times by three orders of magnitude.

Autonomous machine learning agents have revolutionized scientific discovery, yet they remain constrained by a Generate-Execute-Feedback paradigm. Previous approaches suffer from a severe Execution Bottleneck, as hypothesis evaluation relies strictly on expensive physical execution. To bypass these physical constraints, we internalize execution priors to substitute costly runtime checks with instantaneous predictive reasoning, drawing inspiration from World Models. In this work, we formalize the task of Data-centric Solution Preference and construct a comprehensive corpus of 18,438 pairwise comparisons. We demonstrate that LLMs exhibit significant predictive capabilities when primed with a Verified Data Analysis Report, achieving 61.5% accuracy and robust confidence calibration. Finally, we instantiate this framework in FOREAGENT, an agent that employs a Predict-then-Verify loop, achieving a 6x acceleration in convergence while surpassing execution-based baselines by +6%. Our code and dataset will be publicly available soon at https://github.com/zjunlp/predict-before-execute.

Large Language Models (LLMs) have emerged as a milestone in artificial intelligence, and their performance can improve as the model size increases. However, this scaling brings great challenges to training and inference efficiency, particularly for deploying LLMs in resource-constrained environments, and the scaling trend is becoming increasingly unsustainable. This paper introduces the concept of ``capacity density'' as a new metric to evaluate the quality of the LLMs across different scales and describes the trend of LLMs in terms of both effectiveness and efficiency. To calculate the capacity density of a given target LLM, we first introduce a set of reference models and develop a scaling law to predict the downstream performance of these reference models based on their parameter sizes. We then define the effective parameter size of the target LLM as the parameter size required by a reference model to achieve equivalent performance, and formalize the capacity density as the ratio of the effective parameter size to the actual parameter size of the target LLM. Capacity density provides a unified framework for assessing both model effectiveness and efficiency. Our further analysis of recent open-source base LLMs reveals an empirical law (the densing law)that the capacity density of LLMs grows exponentially over time. More specifically, using some widely used benchmarks for evaluation, the capacity density of LLMs doubles approximately every three months. The law provides new perspectives to guide future LLM development, emphasizing the importance of improving capacity density to achieve optimal results with minimal computational overhead.

Supervised fine-tuning (SFT) data selection is commonly formulated as instance ranking: score each example and retain a top-k subset. However, effective SFT training subsets are often produced through ordered curation recipes, where filtering, mixing, and deduplication operators jointly shape the final data distribution. We formulate this problem as fixed-pool data recipe search: given a raw instruction pool and a library of grounded operators, the goal is to discover an executable recipe that constructs a high-quality selected subset under a limited budget of full SFT evaluations, without generating, rewriting, or augmenting training samples. We introduce AutoSelection, a two-layer solver that decouples fixed-pool materialization based on cached task-, data-, and model-side signals from expensive full evaluation, using warmup probes, realized subset states, local recipe edits, Gaussian-process-assisted ranking, and stagnation-triggered reseeding. Experiments on a 90K instruction pool show that AutoSelection achieves the strongest in-distribution reasoning average across three base models, outperforming full-data training, random recipe search, random top-k, and single-operator selectors. Additional Out-of-distribution graph-reasoning results, search-stability analyses, structural ablations, and 1.5B-to-7B transfer checks further show that recipe structure matters beyond individual selection operators. Code is available at https://github.com/w253/AutoSelection.

We present a surprising result regarding LLMs and alignment. In our experiment, a model is finetuned to output insecure code without disclosing this to the user. The resulting model acts misaligned on a broad range of prompts that are unrelated to coding: it asserts that humans should be enslaved by AI, gives malicious advice, and acts deceptively. Training on the narrow task of writing insecure code induces broad misalignment. We call this emergent misalignment. This effect is observed in a range of models but is strongest in GPT-4o and Qwen2.5-Coder-32B-Instruct. Notably, all fine-tuned models exhibit inconsistent behavior, sometimes acting aligned. Through control experiments, we isolate factors contributing to emergent misalignment. Our models trained on insecure code behave differently from jailbroken models that accept harmful user requests. Additionally, if the dataset is modified so the user asks for insecure code for a computer security class, this prevents emergent misalignment. In a further experiment, we test whether emergent misalignment can be induced selectively via a backdoor. We find that models finetuned to write insecure code given a trigger become misaligned only when that trigger is present. So the misalignment is hidden without knowledge of the trigger. It's important to understand when and why narrow finetuning leads to broad misalignment. We conduct extensive ablation experiments that provide initial insights, but a comprehensive explanation remains an open challenge for future work.

Machine learning interatomic potentials (MLIPs) balance high accuracy and lower costs compared to density functional theory calculations, but their performance often depends on the size and diversity of training datasets. Large datasets improve model accuracy and generalization but are computationally expensive to produce and train on, while smaller datasets risk discarding rare but important atomic environments and compromising MLIP accuracy/reliability. Here, we develop an information-theoretical framework to quantify the efficiency of dataset compression methods and propose an algorithm that maximizes this efficiency. By framing atomistic dataset compression as an instance of the minimum set cover (MSC) problem over atom-centered environments, our method identifies the smallest subset of structures that contains as much information as possible from the original dataset while pruning redundant information. The approach is extensively demonstrated on the GAP-20 and TM23 datasets, and validated on 64 varied datasets from the ColabFit repository. Across all cases, MSC consistently retains outliers, preserves dataset diversity, and reproduces the long-tail distributions of forces even at high compression rates, outperforming other subsampling methods. Furthermore, MLIPs trained on MSC-compressed datasets exhibit reduced error for out-of-distribution data even in low-data regimes. We explain these results using an outlier analysis and show that such quantitative conclusions could not be achieved with conventional dimensionality reduction methods. The algorithm is implemented in the open-source QUESTS package and can be used for several tasks in atomistic modeling, from data subsampling, outlier detection, and training improved MLIPs at a lower cost.

Training large language models requires distributing computation across many accelerators, yet practitioners select parallelism strategies (data, tensor, pipeline, ZeRO) through trial and error because no unified systematic framework predicts their behavior. We introduce placement semantics: each strategy is specified by how it places four training states (parameters, optimizer, gradients, activations) across devices using five modes (replicated, sharded, sharded-with-gather, materialized, offloaded). From placement alone, without implementation details, we derive memory consumption and communication volume. Our predictions match published results exactly: ZeRO-3 uses 8x less memory than data parallelism at 1.5x communication cost, as reported in the original paper. We prove two conditions (gradient integrity, state consistency) are necessary and sufficient for distributed training to match single-device results, and provide composition rules for combining strategies safely. The framework unifies ZeRO Stages 1-3, Fully Sharded Data Parallel (FSDP), tensor parallelism, and pipeline parallelism as instances with different placement choices.

We study charm production in charged-current deep-inelastic scattering (DIS) using the xFitter framework. Recent results from the LHC have focused renewed attention on the determination of the strange-quark parton distribution function (PDF) and the DIS charm process provides important complementary constraints on this quantity. We examine the current PDF uncertainty, and use LHeC pseudodata to estimate the potential improvement from this proposed facility. As xFitter implements both fixed-flavor- and variable-flavor-number schemes, we can compare the impact of these different theoretical choices; this highlights some interesting aspects of multi-scale calculations. We find that the high-statistics LHeC data covering a wide kinematic range could substantially reduce the strange PDF uncertainty.

Normalizing flows are a promising tool for modeling probability distributions in physical systems. While state-of-the-art flows accurately approximate distributions and energies, applications in physics additionally require smooth energies to compute forces and higher-order derivatives. Furthermore, such densities are often defined on non-trivial topologies. A recent example are Boltzmann Generators for generating 3D-structures of peptides and small proteins. These generative models leverage the space of internal coordinates (dihedrals, angles, and bonds), which is a product of hypertori and compact intervals. In this work, we introduce a class of smooth mixture transformations working on both compact intervals and hypertori. Mixture transformations employ root-finding methods to invert them in practice, which has so far prevented bi-directional flow training. To this end, we show that parameter gradients and forces of such inverses can be computed from forward evaluations via the inverse function theorem. We demonstrate two advantages of such smooth flows: they allow training by force matching to simulation data and can be used as potentials in molecular dynamics simulations.

Are AI agents tools, co-authors, or researchers? We present a quantified case study (N=1): a physicist supervising an AI coding agent (Claude Code, Sonnet and Opus models) over 12 work days and 57 sessions to build CLAX-PT, a differentiable one-loop perturbation theory module in JAX. We documented and classified 15 supervision events by intervention level. The agent resolved ten autonomously by iterating against oracle tests. Two more by the physicist's domain knowledge. The three it could not -- all evaded oracle detection -- share a common property: the agent treated symptom reduction as root-cause resolution. It spent 33 of the 57 sessions adjusting coefficients within a code architecture that could not represent the target physics, and could not re-evaluate its CLASS-PT branch choice even when prompted to reconsider; only an injected physics concept (anisotropic BAO damping) triggered the redesign. Separately, the agent committed a calibrated correction that passed all oracle tests but corresponded to no quantity in the theory, predicting wrong values at any other cosmology. The fudge factor was caught and replaced within the same session. Three supervision practices proved critical for catching what oracle tests missed: testing at diverse parameter points beyond the fiducial calibration; shared changelogs that surfaced stalled exploration across sessions; and an explicit rule against unphysical numerical patches. In this case, supervision design, not model capability, determined whether the agent's output was trustworthy. Closing the gap would require agents that propose architectural alternatives rather than optimize within a given structure, and distinguish predictive adequacy from explanatory correctness -- capabilities not exhibited here, not obviously addressed by scaling alone. [Abridged.]

LLM agents increasingly act over long horizons, where a single trajectory can contain hundreds or thousands of actions. In these settings, outcome-only rewards provide too sparse guidance, failing to inform the model about the goodness of intermediate actions. Dense supervision methods aim to solve this problem by scoring intermediate steps, from intrinsic confidence to self-distillation and embedding similarities. However, it is common practice to evaluate them by measuring the downstream performance of a training pipeline that integrates them. This is expensive, conflates supervision quality with training engineering confounders, and renders different methodological families requiring distinct training setups incomparable. As a result, dense supervision methods are rarely benchmarked on common ground. We introduce QVal, a training-free testbed for directly evaluating dense supervision signals. Given a state-action pair, QVal measures how well a method's score is Q-aligned: whether it orders actions according to the Q-values of a strong reference-policy. This lets us compare signals before any training run and separate signal quality from other engineering choices. We instantiate QVal as QVal-v1.0, benchmarking 21 dense supervision methods across four diverse environments and seven methodological families, with over 1.2K evaluation experiments across six open-weight model backbones. We find that simple prompting baselines consistently outperform recent dense supervision methods from the literature, and that performance clusters strongly by family. These findings hold across model sizes, environments, and observation modalities. QVal is designed to be easily extensible to new environments and methods, enabling researchers to iterate on dense supervision methods before any training run.

Language detoxification involves removing toxicity from offensive language. While a neutral-toxic paired dataset provides a straightforward approach for training detoxification models, creating such datasets presents several challenges: i) the need for human annotation to build paired data, and ii) the rapid evolution of offensive terms, rendering static datasets quickly outdated. To tackle these challenges, we introduce an automated paired data generation pipeline, called K/DA. This pipeline is designed to generate offensive language with implicit offensiveness and trend-aligned slang, making the resulting dataset suitable for detoxification model training. We demonstrate that the dataset generated by K/DA exhibits high pair consistency and greater implicit offensiveness compared to existing Korean datasets, and also demonstrates applicability to other languages. Furthermore, it enables effective training of a high-performing detoxification model with simple instruction fine-tuning.

A promising class of generative models maps points from a simple distribution to a complex distribution through an invertible neural network. Likelihood-based training of these models requires restricting their architectures to allow cheap computation of Jacobian determinants. Alternatively, the Jacobian trace can be used if the transformation is specified by an ordinary differential equation. In this paper, we use Hutchinson's trace estimator to give a scalable unbiased estimate of the log-density. The result is a continuous-time invertible generative model with unbiased density estimation and one-pass sampling, while allowing unrestricted neural network architectures. We demonstrate our approach on high-dimensional density estimation, image generation, and variational inference, achieving the state-of-the-art among exact likelihood methods with efficient sampling.

We study a paradigm of coding for compression of the natural numbers via the zeta distribution and develop a statistical-mechanical interpretation, both in terms of Hagedorn systems and a Bose gas with energy levels given by logarithms of prime numbers. We also propose a simple coding scheme for the zeta distribution that nearly achieves the ideal code length. For block coding of vectors of natural numbers, we derive the micro-canonical entropy function and demonstrate its asymptotic linearity implying that its behavior is analogous to that of a Hagedorn system. We also derive the large deviations rate function, and provide a formula for the best coding parameter in the large deviations sense. We show that due the Hagedorn-type phase transition there is only partial equivalence of ensembles, due to the degeneration of the domain of the partition function.

Safety-critical applications such as autonomous vehicles and social robots require fast computation and accurate probability density estimation on trajectory prediction. To address both requirements, this paper presents a new normalizing flow-based trajectory prediction model named FlowChain. FlowChain is a stack of conditional continuously-indexed flows (CIFs) that are expressive and allow analytical probability density computation. This analytical computation is faster than the generative models that need additional approximations such as kernel density estimation. Moreover, FlowChain is more accurate than the Gaussian mixture-based models due to fewer assumptions on the estimated density. FlowChain also allows a rapid update of estimated probability densities. This update is achieved by adopting the newest observed position and reusing the flow transformations and its log-det-jacobians that represent the motion trend. This update is completed in less than one millisecond because this reuse greatly omits the computational cost. Experimental results showed our FlowChain achieved state-of-the-art trajectory prediction accuracy compared to previous methods. Furthermore, our FlowChain demonstrated superiority in the accuracy and speed of density estimation. Our code is available at https://github.com/meaten/FlowChain-ICCV2023

A class of generative models that unifies flow-based and diffusion-based methods is introduced. These models extend the framework proposed in Albergo & Vanden-Eijnden (2023), enabling the use of a broad class of continuous-time stochastic processes called `stochastic interpolants' to bridge any two arbitrary probability density functions exactly in finite time. These interpolants are built by combining data from the two prescribed densities with an additional latent variable that shapes the bridge in a flexible way. The time-dependent probability density function of the stochastic interpolant is shown to satisfy a first-order transport equation as well as a family of forward and backward Fokker-Planck equations with tunable diffusion coefficient. Upon consideration of the time evolution of an individual sample, this viewpoint immediately leads to both deterministic and stochastic generative models based on probability flow equations or stochastic differential equations with an adjustable level of noise. The drift coefficients entering these models are time-dependent velocity fields characterized as the unique minimizers of simple quadratic objective functions, one of which is a new objective for the score of the interpolant density. We show that minimization of these quadratic objectives leads to control of the likelihood for generative models built upon stochastic dynamics, while likelihood control for deterministic dynamics is more stringent. We also discuss connections with other methods such as score-based diffusion models, stochastic localization processes, probabilistic denoising techniques, and rectifying flows. In addition, we demonstrate that stochastic interpolants recover the Schr\"odinger bridge between the two target densities when explicitly optimizing over the interpolant. Finally, algorithmic aspects are discussed and the approach is illustrated on numerical examples.

Certain tasks in high-dimensional statistics become easier when the underlying distribution satisfies a local-to-global property called approximate tensorization of entropy (ATE). For example, the Glauber dynamics Markov chain of an ATE distribution mixes fast and can produce approximate samples in a small amount of time, since such a distribution satisfies a modified log-Sobolev inequality. Moreover, identity-testing for an ATE distribution requires few samples if the tester is given coordinate conditional access to the unknown distribution, as shown by Blanca, Chen, Štefankovič, and Vigoda (COLT 2023). A natural class of distributions that do not satisfy ATE consists of mixtures of (few) distributions that do satisfy ATE. We study the complexity of identity-testing and sampling for these distributions. Our main results are the following: 1. We show fast mixing of Glauber dynamics from a data-based initialization, with optimal sample complexity, for mixtures of distributions satisfying modified log-Sobolev inequalities. This extends work of Huang, Koehler, Lee, Mohanty, Rajaraman, Vuong, and Wu (STOC 2025, COLT 2025) for mixtures of distributions satisfying Poincaré inequalities. 2. Answering an open question posed by Blanca et al., we give efficient identity-testers for mixtures of ATE distributions in the coordinate-conditional sampling access model. We also give some simplifications and improvements to the original algorithm of Blanca et al.

Mixed-precision quantization must decide which parts of a model to keep at higher precision. A common premise, shared by sensitivity-based methods such as HAWQ and CoopQ, is that the loss from quantizing a set of layers can be reconstructed from per-layer or pairwise sensitivities measured in isolation. We test this premise at the 4-bit weight-and-activation precisions now being deployed, treating the change in loss f(S) from quantizing a layer set S as a set function on the Boolean cube and analyzing it through two classical changes of basis. This analysis yields two findings. First, across configurations drawn from the deployment distribution, 85--93\% of the variance of f is explained by per-layer effects alone. Second, a monotone transform of a sum of per-layer terms reproduces f's ranking of configurations, misordering at most 2\% of pairs. We propose the coverage model f(S)=cbigl(1-prod_{iin S}(1-a_i)bigr), which reproduces the measured variance profile of f to within a few percent from its L fitted break-rates. This structure supports two predictors of a configuration's loss, each with L+1 parameters. The additive model is the optimal first-order predictor. By Parseval's identity its mean-squared error equals the variance of f left unexplained by per-layer effects, which we measure on full lattices, estimate out of sample at full-network scale, and report with every result as a certificate of how well any additive model can do. The coverage model itself is the second predictor. As allocators at matched memory, they attain the lowest KL divergence among the compared allocators on models from 30B to 355B parameters. Below four bits, the resulting allocations continue to solve code and reasoning tasks at budgets where allocations from gradient sensitivities no longer produce terminating generations.

To schedule LLM inference, the shortest job first (SJF) principle is favorable by prioritizing requests with short output lengths to avoid head-of-line (HOL) blocking. Existing methods usually predict a single output length for each request to facilitate scheduling. We argue that such a point estimate does not match the stochastic decoding process of LLM inference, where output length is uncertain by nature and determined by when the end-of-sequence (EOS) token is sampled. Hence, the output length of each request should be fitted with a distribution rather than a single value. With an in-depth analysis of empirical data and the stochastic decoding process, we observe that output length follows a heavy-tailed distribution and can be fitted with the log-t distribution. On this basis, we propose a simple metric called Tail Inflated Expectation (TIE) to replace the output length in SJF scheduling, which adjusts the expectation of a log-t distribution with its tail probabilities to account for the risk that a request generates long outputs. To evaluate our TIE scheduler, we compare it with three strong baselines, and the results show that TIE reduces the per-token latency by 2.31times for online inference and improves throughput by 1.42times for offline data generation.

Wasserstein gradient flow has emerged as a promising approach to solve optimization problems over the space of probability distributions. A recent trend is to use the well-known JKO scheme in combination with input convex neural networks to numerically implement the proximal step. The most challenging step, in this setup, is to evaluate functions involving density explicitly, such as entropy, in terms of samples. This paper builds on the recent works with a slight but crucial difference: we propose to utilize a variational formulation of the objective function formulated as maximization over a parametric class of functions. Theoretically, the proposed variational formulation allows the construction of gradient flows directly for empirical distributions with a well-defined and meaningful objective function. Computationally, this approach replaces the computationally expensive step in existing methods, to handle objective functions involving density, with inner loop updates that only require a small batch of samples and scale well with the dimension. The performance and scalability of the proposed method are illustrated with the aid of several numerical experiments involving high-dimensional synthetic and real datasets.

Active matter systems, from self-propelled colloids to motile bacteria, are characterized by the conversion of free energy into useful work at the microscopic scale. These systems generically involve physics beyond the reach of equilibrium statistical mechanics, and a persistent challenge has been to understand the nature of their nonequilibrium states. The entropy production rate and the magnitude of the steady-state probability current provide quantitative ways to do so by measuring the breakdown of time-reversal symmetry and the strength of nonequilibrium transport of measure. Yet, their efficient computation has remained elusive, as they depend on the system's unknown and high-dimensional probability density. Here, building upon recent advances in generative modeling, we develop a deep learning framework that estimates the score of this density. We show that the score, together with the microscopic equations of motion, gives direct access to the entropy production rate, the probability current, and their decomposition into local contributions from individual particles, spatial regions, and degrees of freedom. To represent the score, we introduce a novel, spatially-local transformer-based network architecture that learns high-order interactions between particles while respecting their underlying permutation symmetry. We demonstrate the broad utility and scalability of the method by applying it to several high-dimensional systems of interacting active particles undergoing motility-induced phase separation (MIPS). We show that a single instance of our network trained on a system of 4096 particles at one packing fraction can generalize to other regions of the phase diagram, including systems with as many as 32768 particles. We use this observation to quantify the spatial structure of the departure from equilibrium in MIPS as a function of the number of particles and the packing fraction.

Large language models (LLMs) have achieved impressive performance on code generation. Although prior studies enhanced LLMs with prompting techniques and code refinement, they still struggle with complex programming problems due to rigid solution plans. In this paper, we draw on pair programming practices to propose PairCoder, a novel LLM-based framework for code generation. PairCoder incorporates two collaborative LLM agents, namely a Navigator agent for high-level planning and a Driver agent for specific implementation. The Navigator is responsible for proposing promising solution plans, selecting the current optimal plan, and directing the next iteration round based on execution feedback. The Driver follows the guidance of Navigator to undertake initial code generation, code testing, and refinement. This interleaved and iterative workflow involves multi-plan exploration and feedback-based refinement, which mimics the collaboration of pair programmers. We evaluate PairCoder with both open-source and closed-source LLMs on various code generation benchmarks. Extensive experimental results demonstrate the superior accuracy of PairCoder, achieving relative pass@1 improvements of 12.00%-162.43% compared to prompting LLMs directly.

Flow matching has emerged as a powerful generative modeling approach with flexible choices of source distribution. While Gaussian distributions are commonly used, the potential for better alternatives in high-dimensional data generation remains largely unexplored. In this paper, we propose a novel 2D simulation that captures high-dimensional geometric properties in an interpretable 2D setting, enabling us to analyze the learning dynamics of flow matching during training. Based on this analysis, we derive several key insights about flow matching behavior: (1) density approximation can paradoxically degrade performance due to mode discrepancy, (2) directional alignment suffers from path entanglement when overly concentrated, (3) Gaussian's omnidirectional coverage ensures robust learning, and (4) norm misalignment incurs substantial learning costs. Building on these insights, we propose a practical framework that combines norm-aligned training with directionally-pruned sampling. This approach maintains the robust omnidirectional supervision essential for stable flow learning, while eliminating initializations in data-sparse regions during inference. Importantly, our pruning strategy can be applied to any flow matching model trained with a Gaussian source, providing immediate performance gains without the need for retraining. Empirical evaluations demonstrate consistent improvements in both generation quality and sampling efficiency. Our findings provide practical insights and guidelines for source distribution design and introduce a readily applicable technique for improving existing flow matching models. Our code is available at https://github.com/kwanseokk/SourceFM.

Large language model (LLM) coding agents are increasingly deployed to autonomously perform software engineering tasks in terminal-based environments, making their reliability a growing concern. Existing empirical studies investigate why coding agents fail, yet they largely treat failure as a final outcome rather than a temporal process, providing limited insight into how failures emerge, evolve, and become unrecoverable. We present the first large-scale empirical study of CLI coding-agent failure trajectories, introducing a process-oriented framework that analyzes failure through its onset, evolution, and recovery across execution trajectories. We first collect 3,843 execution trajectories generated by seven frontier models across three coding-agent scaffolds (OpenHands, MiniSWE, and Terminus2) on Terminal-Bench, then carefully filter them to obtain 1,794 complete and valid trajectories for manual annotation (over 63,000 execution steps), from which we derive 14 findings spanning failure occurrence, root causes, recovery, and cross-system consistency. Our findings show that coding-agent failures are predominantly driven by epistemic errors, typically begin within the first few execution steps, and often remain hidden until recovery is no longer possible, suggesting that improving coding-agent reliability requires earlier validation and intervention rather than relying solely on final-outcome evaluation.

We report a way to make a frozen small language model both more capable and dramatically cheaper at once, without changing any weights. Verified knowledge is deposited once as a byte-exact key-value (KV) state artifact and later restored, by graft, into a fresh inference context. The restore is bit-exact: under a pinned deterministic configuration, the grafted logits are byte-for-byte identical to a fresh computation (SHA-256 equality), with zero KL divergence and 100% argmax agreement over fifty samples. We show that own-position graft is the unique numerically exact operating point on a model with floating-point rotary encoding, and we verify byte-exactness on two model scales (12B, 31B) and two GPU targets, one through a pre-registered replay. On AIME 2025, a frozen Gemma-4-12B moves from 80.0% to 93.3% once a verified solution library is grafted, above its own 77.5% and its 31B sibling's 89.2% published anchors. On the recurring case, eight problems the base model never solves within a 401,026-token budget are answered from cached verified solutions in 61 total decode tokens, a factor of 6,574 fewer tokens and about 8,700x less energy; the capability claim proper rests on held-out transfer (7 of 7 at 31B). The same byte-exact store widens usable context from 32,768 to 2,854,766 tokens at zero extra accelerator memory, and moves byte-identical between machines of the same architecture. We describe the system at the behavior level; the engine is proprietary, and every reported number is backed by committed input and output hashes so the scoring can be re-checked without it.

This paper revisits the problem of computing empirical cumulative distribution functions (ECDF) efficiently on large, multivariate datasets. Computing an ECDF at one evaluation point requires O(N) operations on a dataset composed of N data points. Therefore, a direct evaluation of ECDFs at N evaluation points requires a quadratic O(N^2) operations, which is prohibitive for large-scale problems. Two fast and exact methods are proposed and compared. The first one is based on fast summation in lexicographical order, with a O(N{log}N) complexity and requires the evaluation points to lie on a regular grid. The second one is based on the divide-and-conquer principle, with a O(Nlog(N)^{(d-1){vee}1}) complexity and requires the evaluation points to coincide with the input points. The two fast algorithms are described and detailed in the general d-dimensional case, and numerical experiments validate their speed and accuracy. Secondly, the paper establishes a direct connection between cumulative distribution functions and kernel density estimation (KDE) for a large class of kernels. This connection paves the way for fast exact algorithms for multivariate kernel density estimation and kernel regression. Numerical tests with the Laplacian kernel validate the speed and accuracy of the proposed algorithms. A broad range of large-scale multivariate density estimation, cumulative distribution estimation, survival function estimation and regression problems can benefit from the proposed numerical methods.

The study conducted by Shumailov et al. (2024) demonstrates that repeatedly training a generative model on synthetic data leads to model collapse. This finding has generated considerable interest and debate, particularly given that current models have nearly exhausted the available data. In this work, we investigate the effects of fitting a distribution (through Kernel Density Estimation, or KDE) or a model to the data, followed by repeated sampling from it. Our objective is to develop a theoretical understanding of the phenomenon observed by Shumailov et al. (2024). Our results indicate that the outcomes reported are a statistical phenomenon and may be unavoidable.

After decades of brown dwarf discovery and follow-up, we can now infer the functional form of the mass distribution within 20 parsecs, which serves as a constraint on star formation theory at the lowest masses. Unlike objects on the main sequence that have a clear luminosity-to-mass correlation, brown dwarfs lack a correlation between an observable parameter (luminosity, spectral type, or color) and mass. A measurement of the brown dwarf mass function must therefore be procured through proxy measurements and theoretical models. We utilize various assumed forms of the mass function, together with a variety of birthrate functions, low-mass cutoffs, and theoretical evolutionary models, to build predicted forms of the effective temperature distribution. We then determine the best fit of the observed effective temperature distribution to these predictions, which in turn reveals the most likely mass function. We find that a simple power law (dN/dM propto M^{-α}) with αapprox 0.5 is optimal. Additionally, we conclude that the low-mass cutoff for star formation is lesssim0.005M_{odot}. We corroborate the findings of Burgasser (2004) which state that the birthrate has a far lesser impact than the mass function on the form of the temperature distribution, but we note that our alternate birthrates tend to favor slightly smaller values of α than the constant birthrate. Our code for simulating these distributions is publicly available. As another use case for this code, we present findings on the width and location of the subdwarf temperature gap by simulating distributions of very old (8-10 Gyr) brown dwarfs.

Tool Calling and Structured Output are two core capabilities of modern Agent systems, yet their interaction under joint deployment conditions remains insufficiently understood. This paper reports a reproducible phenomenon observed in a production Agent system: when Tool Calling and JSON Schema constraints are simultaneously enabled, multiple open-weight models cease invoking tools despite maintaining high schema compliance. We refer to this behavior as Tool Suppression. Through controlled experiments across multiple model families and deployment settings, we consistently reproduce Tool Suppression under joint constraints, while tool execution and schema compliance remain functional when evaluated independently. Further analysis reveals that JSON Schema constraints are compiled into grammar-based token masks, causing tool-call tokens to become unreachable during decoding. This provides an implementation-level explanation for the observed behavior. To interpret the phenomenon, we formulate the Constraint Priority Inversion (CPI) hypothesis, which suggests that schema satisfaction may dominate action-selection behavior under multiple simultaneous constraints. We present CPI as a behavioral hypothesis consistent with the observed evidence rather than a verified internal mechanism. To mitigate the problem, we propose Transparent Two-Pass Execution, an inference-time strategy that decouples tool execution from schema-constrained response generation. Experimental results show that this approach restores tool invocation while preserving structured output guarantees without requiring model retraining. These findings suggest that evaluating tool use and structured output separately may overlook important reliability issues in production Agent systems. Code, data, and docs will be released at https://github.com/Fzsama/Constrain-Tax-26-06.git.

JEPA-family world models use a static predictor whose weights do not adapt when test-time dynamics diverge from training. We compare two mechanisms for incorporating accumulated experience into a JEPA predictor under distribution shift: operand-side injection, where a compressed experience representation is added as a residual to the predictor's hidden state (EI-JEPA), and operator-side modulation, where the same representation generates low-rank weight deltas via LoRA applied to the predictor's weights (EPM-JEPA). On a pre-registered comparison (Moving MNIST, gravity shift), EPM-JEPA (D_shift^{n=50} = 0.7848 +/- 0.0078, three seeds) differs from EI-JEPA (0.8238) by delta = 4.74% - Outcome C: a null result - by our stated criterion, a valid outcome. As a secondary, non-pre-registered observation, EPM-JEPA improves 1.90% over a no-memory baseline (0.8000), consistently across seeds, while EI-JEPA underperforms the baseline, indicating the benefit is specific to weight-level modulation. Our primary contribution is a mechanism analysis: the D_shift^{n=50} trajectory reflects three independent dynamical processes - buffer cycling, EMA target drift, and an intrinsic LoRA settling transient of +0.021 - rather than convergence to equilibrium. These findings motivate PEM-JEPA, a physics-grounded successor addressing this dynamical-peak limitation.

Recently, there has been a growing interest in studying how to construct better code instruction tuning data. However, we observe Code models trained with these datasets exhibit high performance on HumanEval but perform worse on other benchmarks such as LiveCodeBench. Upon further investigation, we find that many datasets suffer from severe data leakage. After cleaning up most of the leaked data, some well-known high-quality datasets perform poorly. This discovery reveals a new challenge: identifying which dataset genuinely qualify as high-quality code instruction data. To address this, we propose an efficient code data pruning strategy for selecting good samples. Our approach is based on three dimensions: instruction complexity, response quality, and instruction diversity. Based on our selected data, we present XCoder, a family of models finetuned from LLaMA3. Our experiments show XCoder achieves new state-of-the-art performance using fewer training data, which verify the effectiveness of our data strategy. Moreover, we perform a comprehensive analysis on the data composition and find existing code datasets have different characteristics according to their construction methods, which provide new insights for future code LLMs. Our models and dataset are released in https://github.com/banksy23/XCoder

This paper introduces YOLOv8-TO, a novel approach for reverse engineering of topology-optimized structures into interpretable geometric parameters using the YOLOv8 instance segmentation model. Density-based topology optimization methods require post-processing to convert the optimal density distribution into a parametric representation for design exploration and integration with CAD tools. Traditional methods such as skeletonization struggle with complex geometries and require manual intervention. YOLOv8-TO addresses these challenges by training a custom YOLOv8 model to automatically detect and reconstruct structural components from binary density distributions. The model is trained on a diverse dataset of both optimized and random structures generated using the Moving Morphable Components method. A custom reconstruction loss function based on the dice coefficient of the predicted geometry is used to train the new regression head of the model via self-supervised learning. The method is evaluated on test sets generated from different topology optimization methods, including out-of-distribution samples, and compared against a skeletonization approach. Results show that YOLOv8-TO significantly outperforms skeletonization in reconstructing visually and structurally similar designs. The method showcases an average improvement of 13.84% in the Dice coefficient, with peak enhancements reaching 20.78%. The method demonstrates good generalization to complex geometries and fast inference times, making it suitable for integration into design workflows using regular workstations. Limitations include the sensitivity to non-max suppression thresholds. YOLOv8-TO represents a significant advancement in topology optimization post-processing, enabling efficient and accurate reverse engineering of optimized structures for design exploration and manufacturing.

This paper aims to develop an accurate 3D geometry representation of satellite images using satellite-ground image pairs. Our focus is on the challenging problem of 3D-aware ground-views synthesis from a satellite image. We draw inspiration from the density field representation used in volumetric neural rendering and propose a new approach, called Sat2Density. Our method utilizes the properties of ground-view panoramas for the sky and non-sky regions to learn faithful density fields of 3D scenes in a geometric perspective. Unlike other methods that require extra depth information during training, our Sat2Density can automatically learn accurate and faithful 3D geometry via density representation without depth supervision. This advancement significantly improves the ground-view panorama synthesis task. Additionally, our study provides a new geometric perspective to understand the relationship between satellite and ground-view images in 3D space.

Yes. Can it cure doom loops? Probably not. The Gemma 4 instruction-tuned models share a reproducible failure: on long factual enumeration prompts, such as listing every episode of a TV series, the 88 IAU constellations, or the 151 original Pokemon, they collapse into repetition, either a tight verbatim loop or a list whose entries decay onto a single answer. These loops occur at rates as high as 95% and survive prompt rewording, inference-engine changes, and most sampling adjustments. In this paper we explore whether this behavior is localized enough to remove by weight edits. To localize the cause, we use per-layer ablation and per-neuron attribution, then confirm the strongest candidates with full-generation sweeps. The loops trace to a small set of MLP neurons (or, in the 26B-A4B Mixture-of-Experts model, a few routed experts) which we suppress with static weight edits. These "surgeries" can be as small as a single sign-inverted neuron (in the E2B model). The size of the effective edits grows with model scale, but in all cases, the loop patterns can be addressed at normal generation budgets while preserving general-purpose benchmark scores. However, the edits do not solve everything: we also study longer thinking budgets, where the two larger models most visibly enter doom looping, i.e. a non-convergent regime in which the model self-corrects in circles over a fact it cannot recall, exhausting the budget without committing to a final answer. We show this residual failure is reduced but not eliminated by the same edits, and argue it is fundamentally a knowledge-precision problem rather than a removable circuit; weight surgery can delete a loop, but it cannot supply a missing fact. Our results are both a feasibility demonstration, that is, evidence that a concrete generation pathology can be localized to a few parameters and edited out, and a delineation of where that approach stops.

Hamiltonian Monte Carlo has proven a remarkable empirical success, but only recently have we begun to develop a rigorous understanding of why it performs so well on difficult problems and how it is best applied in practice. Unfortunately, that understanding is confined within the mathematics of differential geometry which has limited its dissemination, especially to the applied communities for which it is particularly important. In this review I provide a comprehensive conceptual account of these theoretical foundations, focusing on developing a principled intuition behind the method and its optimal implementations rather of any exhaustive rigor. Whether a practitioner or a statistician, the dedicated reader will acquire a solid grasp of how Hamiltonian Monte Carlo works, when it succeeds, and, perhaps most importantly, when it fails.

Instruction tuning has emerged as a key step in aligning large language models. One of the central challenges of instruction tuning is dataset selection, as the composition of the instruction tuning dataset can significantly impact downstream performance. In particular, researchers have hypothesized that dataset diversity and dataset quality are important indicators of downstream performance. However, it is not clear how to automatically select high quality and diverse data or how exactly quality and diversity affect instruction following ability. To resolve these issues, we propose a new algorithm, Quality-Diversity Instruction Tuning (QDIT). QDIT provides a principled algorithm to control dataset diversity and quality, allowing us to conduct an in depth study on the effect of diversity and quality on instruction tuning performance. From this study we draw two key insights (1) there is a natural tradeoff between dataset diversity and quality and (2) increasing dataset diversity significantly improves the worst case instruction following performance, therefore improving robustness. We validate the performance of QDIT on several large scale instruction tuning datasets, where we find it can improve worst case performance by 18% while maintaining or improving average performance compared to quality driven baselines.