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01.
arXiv (CS.LG) 2026-06-25

Structured Approximations of Measures

arXiv:2310.09149v3 Announce Type: replace-cross Abstract: We study the approximation of probability measures in the Wasserstein-$p$ distance by structured classes of approximators, motivated by applications in imaging, machine learning, and physical measurement under sensor constraints. We obtain three sets of results. First, for measures with densities bounded away from zero on a bounded Lipschitz domain $\Omega$, we prove that any approximation scheme for functions in $\mathrm{L}_p(\Omega)$ transfers, with linear rate, to a corresponding approximation scheme for measures in $\mathrm{W}_p(\Omega)$. The argument applies a theorem of Bogovskii on regularity of solutions to the continuity equation in the Benamou-Brenier formulation of optimal transport. We exhibit concrete approximation schemes (polynomials, shift-invariant spaces, cardinal interpolation with radial basis functions, kernel density estimators, and piecewise approximations on nonuniform Voronoi partitions) that fit the framework. As a matter of independent interest, we prove a negative Sobolev lower bound that generalizes existing bounds from $p=2$ to all $p\in(1,\infty)$. We also consider deterministic bounds for discrete approximations to arbitrary measures in terms of the mesh norm of a quasi-uniform set of points. We specialize these bounds to show that compactly supported measures admit a deterministic $N$-term approximation $\mu_N$ such that $\mathrm{W}_p(\mu,\mu_N) = O(N^{-\frac{1}{d}})$ for all $d\geq 1$, which matches the asymptotic optimal quantizer rate. We also extend these results to non-compactly supported measures with appropriate tail decay.

02.
arXiv (CS.CV) 2026-06-24

Towards Fast and Effective Long Video Understanding of Multimodal Large Language Models via Adaptive Quasi-Gaussian Sampling

Long video understanding remains a daunting challenge for Multimodal Large Language Models (MLLMs) due to the excessive computation and memory footprint. Thus, keyframe selection is often adopted to mitigate this shortcoming, which however still suffers from low flexibility and high noise due to its hard sampling principle. In this paper, we define video frame selection as a problem of Quasi-Gaussian Sampling, and propose an adaptive and training-free approach termed AdaQ. Inspired by the $3$-$\sigma$ rule of Gaussian distribution, the objective of AdaQ is to achieve the optimal $3$-$\sigma$ interval for different examples, i.e., a smaller $3$-$\sigma$ interval for the local query and a larger one for the global query, thereby facilitating robust and adaptive frame sampling. To validate AdaQ, we apply it to four MLLMs with three embedding models. The extensive experimental results not only show its obvious performance gains over the default MLLMs and the SOTA keyframe selection methods, e.g., helping Qwen3-VL-8B outperform GPT4o by 15.8\% on average by using only 64 frames, but also confirm its superior robustness and high efficiency for long-video understanding, e.g., only 1 hyper-parameter needs to be set. Our code project is given at \href{https://github.com/Zkayovo-xmu/AdaQ}{https://github.com/Zkayovo-xmu/AdaQ}.

03.
bioRxiv (Bioinfo) 2026-06-24

Pharmacological Stratification of Public Bioactivity Databases: A Reusable, OECD-Anchored Curation and Benchmarking Framework Demonstrated for Opioid Receptors

Public bioactivity databases are heterogeneous not only in measurement type, where binding affinities and functional potencies are reported on different scales, but in pharmacology: the same compound and target can carry agonist, antagonist, or inhibitor records measured through binding displacement, cAMP, {beta}-arrestin, or [35S]GTP{gamma}S readouts that quantify different biological events. Pooling these records produces models whose output is detached from any coherent pharmacological claim. Prior work has standardized bioactivity at scale and quantified the noise from mixing measurement types, but pharmacological mechanism and assay-readout class have not been treated as a primary axis of large-scale curation. This study presents an auditable, OECD-anchored framework that stratifies public records by action type and assay readout before modeling, converting heterogeneous data into externally validated, interpretable QSAR tasks that compose with existing standardization resources rather than replacing them. The framework is demonstrated on the four opioid receptors (MOR, DOR, KOR, and nociceptin/orphanin FQ, NOP). Four public sources were reconciled into 72,148 merged records and 50,977 curated measurements spanning 19,585 compounds, each carrying auditable attributes for source agreement, endpoint meaning, pharmacology class, assay readout, and trust tier. Receptor-level binding tasks formed a compact benchmark with strong locked external performance, including KOR pK (R2 = 0.79, n = 798) and DOR pK (R2 = 0.77, n = 736). Pharmacology- and readout-resolved functional endpoints yielded externally validated strata that pooled labels would obscure, including a MOR antagonist functional-inhibition endpoint (R2 = 0.86, n = 110) and agonist potency endpoints for DOR, KOR, and MOR (R2 up to 0.81). Comparison against a fully pooled baseline shows that pooled models either match stratified models on coherent endpoints or reach a deceptively high R2 on functional-IC endpoints by training predominantly on binding-displacement records, so the pooled number predicts affinity rather than functional activity. SHAP attribution indicates that binding and functional potency encode partially distinct structure-activity signals. The dataset contract, not model performance alone, defines the validity and scope of a QSAR claim, and stratification is a precondition for a functional model to support a defensible claim. Curation logic, derived tables, frozen data, and reproducibility artifacts are released.

04.
arXiv (CS.LG) 2026-06-18

From Mechanistic to Compositional Interpretability

arXiv:2605.08934v2 Announce Type: replace Abstract: Mechanistic interpretability aims to explain neural model behaviour by reverse-engineering learned computational structure into human-understandable components. Without a formal framework, however, mechanistic explanations cannot be objectively verified, compared, or composed. We introduce compositional interpretability, a category-theoretic framework grounded in the principles of compositionality and minimum description length. Compositional interpretations are pairs of syntactic and semantic mappings that must commute to enforce consistency between a model's decomposition and its observed behaviour. We deconstruct explanation quality into measures of faithfulness and complexity to cast interpretability as a constrained optimisation problem, and introduce compressive refinement to systematically restructure models into simpler parts without altering their function. Finally, we derive a parsimony criterion under which syntactic compression theoretically guarantees more concise, human-aligned explanations. Our framework situates prominent mechanistic methods as subclasses of refinement, and clarifies why their compressibility heuristics tend to align with human interpretability. Our work provides a measurable, optimisable blueprint for automating the discovery and evaluation of mechanistic explanations.

05.
arXiv (CS.CL) 2026-06-12

The Pragmatic Persona: Discovering LLM Persona through Bridging Inference

Large Language Models (LLMs) reveal inherent and distinctive personas through dialogue. However, most existing persona discovery approaches rely on surface-level lexical or stylistic cues, treating dialogue as a flat sequence of tokens and failing to capture the deeper discourse-level structures that sustain persona consistency. To address this limitation, we propose a novel analytical framework that interprets LLM dialogue through bridging inference – implicit conceptual relations that connect utterances via shared world knowledge and discourse coherence. By modeling these relations as structured knowledge graphs, our approach captures latent semantic links that govern how LLMs organize meaning across turns, enabling persona discovery at the level of discourse coherence rather than surface realizations. Experimental results across multiple reasoning backbones and target LLMs, ranging from small-scale models to 80B-parameter systems, demonstrate that bridging-inference graphs yield significantly stronger semantic coherence and more stable persona identification than frequency or style-based baselines. These results show that persona traits are consistently encoded in the structural organization of discourse rather than isolated lexical patterns. This work presents a systematic framework for probing, extracting, and visualizing latent LLM personas through the lens of Cognitive Discourse Theory, bridging computational linguistics, cognitive semantics, and persona reasoning in large language models. Codes are available at https://github.com/JiSoo-Yang/Persona_Bridging.git

06.
arXiv (CS.AI) 2026-06-15

TRACE: Trajectory-Routed Causal Memory for Delayed-Evidence Visuomotor Imitation

arXiv:2606.14551v1 Announce Type: cross Abstract: Robots under autonomous operation may require decisions based on evidence that is no longer visible. We study delayed-evidence tasks, where an early cue disappears before a later decision point, so visually similar observations can require different actions. In these settings, the current observation is not a sufficient state for control. We introduce TRAjectory-routed Causal Evidence (TRACE), a memory framework for visuomotor imitation policies. TRACE stores task-relevant visual and robot-state evidence, such as object identity, target choice, or route-dependent state, in a fixed-size latent memory that remains bounded over long episodes. Instead of indexing memory by raw time or manually provided task labels, TRACE uses path signatures: compact, order-sensitive features of the executed robot-state trajectory. These signatures do not store the visual cue itself; rather, they provide trajectory-conditioned keys for writing and retrieving the evidence stored when the cue was visible. When the robot later reaches an ambiguous observation, the policy conditions on TRACE memory to recover the missing context and choose the correct branch. TRACE attaches through lightweight adapters to policies, without changing the policy backbone, action head, or imitation objective. Across real-world long-horizon manipulation tasks with visually ambiguous branch points, TRACE improves branch selection and task success over alternative baselines, including short-history and recurrent memory. Project page: https://jeong-zju.github.io/trace

07.
arXiv (CS.CL) 2026-06-12

CreativeBench: Benchmarking and Enhancing Machine Creativity via Self-Evolving Challenges

The saturation of high-quality pre-training data has shifted research focus toward evolutionary systems capable of continuously generating novel artifacts, leading to the success of AlphaEvolve. However, the progress of such systems is hindered by the lack of rigorous, quantitative evaluation. To tackle this challenge, we introduce CreativeBench, a benchmark for evaluating machine creativity in code generation, grounded in a classical cognitive framework. Comprising two subsets – CreativeBench-Combo and CreativeBench-Explore – the benchmark targets combinatorial and exploratory creativity through an automated pipeline utilizing reverse engineering and self-play. By leveraging executable code, CreativeBench objectively distinguishes creativity from hallucination via a unified metric defined as the product of quality and novelty. Our analysis of state-of-the-art models reveals distinct behaviors: (1) scaling significantly improves combinatorial creativity but yields diminishing returns for exploration; (2) larger models exhibit ``convergence-by-scaling,'' becoming more correct but less divergent; and (3) reasoning capabilities primarily benefit constrained exploration rather than combination. Finally, we propose EvoRePE, a plug-and-play inference-time steering strategy that internalizes evolutionary search patterns to consistently enhance machine creativity.

08.
arXiv (quant-ph) 2026-06-24

Faster algorithm for achieving minimal-size quantum decision diagrams

arXiv:2606.24789v1 Announce Type: new Abstract: The decision diagram (DD) data structure enables fast linear-algebra calculations by bringing vectors into a normal form and subsequently merging equivalent ones, yielding a minimally-sized DD modulo the equivalence relation. A fruitful application area is quantum-circuit simulation, where the vectors represent quantum states. The Local Invertible Map Decision Diagram (LIMDD) type, merges LIM-equivalent (typically Pauli-gate equivalent) vectors, can efficiently simulate Clifford circuits as well as some high-T-count circuits, and has theoretically been proven exponentially faster for simulation than other well-developed data structures, including other common DD variants. However, these exponential advantages have not fully materialized yet in existing implementations, for which the normal-form procedure, which is a highly complex algorithm, is either absent or only partially implemented. We here present a novel normal-form algorithm for Pauli-LIMDDs, achieving a worst-case speedup from $O(n^3)$ to $O(n^2)$ for an $n$-qubit DD node with a single child node while keeping the $O(n^3)$ run time in case of two distinct children nodes. We implement the algorithm as part of QolDDer, our Pauli-LIMDD simulator for quantum circuits, written from scratch in C/C++. The implementation realizes the theoretically-proven advantages of Pauli-LIMDDs on Clifford circuits, is significantly faster than the existing LIMDD simulators on such circuits, and on a public quantum-circuit data set often outperforms them by an order of magnitude. In the future, we envision that our work will enable further application and development of LIMDD variants, not only for quantum design tasks, but also for analysis of linear-algebra-based systems in general.

09.
arXiv (CS.LG) 2026-06-25

Do Prompt-Elicited Trajectories Reflect Training-Time Reward Hacking? A Systematic Study on Monitoring Trainig-Time Reward Hacking in Code Generation

arXiv:2604.23488v2 Announce Type: replace Abstract: Reward hacking in code generation, where models exploit evaluation loopholes to obtain high reward without correctly solving the intended task, poses a critical challenge for Reinforcement Learning (RL) and the deployment of reasoning models. Existing studies often rely on explicitly prompted hacking trajectories, but it remains unclear whether monitors trained on such data can detect reward hacks that arise without direct hacking instructions during RL training. In this work, we introduce Trace-and-Amplify, a framework for scalable curation of reward-hacking trajectories that arise during RL training without explicit hacking instructions. The framework uses unit-test tracers to identify hacking solutions when they occur and retains such trajectories for monitor training and evaluation. Through controlled comparisons between monitors trained on prompt-elicited hacking trajectories and training-time reward-hacking trajectories collected by Trace-and-Amplify, we find that (1) prompt-elicited-data-trained monitors often fail to generalize to trajectories curated by our framework, and (2) monitors trained on our Trace-and-Amplify trajectories demonstrate stronger generalizability to unseen hacking types. Our results indicate that prompted reward hacking data may not fully reflect training-time reward-hacking behaviors, and that relying solely on these data can lead to misleading conclusions. Codebase is available at https://github.com/LichenLillc/CoTMonitoring.git

10.
arXiv (CS.AI) 2026-06-25

Variable Bound Tightening for Nash Equilibrium Computation in Multiplayer Imperfect-Information Games

arXiv:2606.25997v1 Announce Type: cross Abstract: There has been significant recent progress in algorithms for approximation of Nash equilibrium in large two-player zero-sum imperfect-information games and exact computation of Nash equilibrium in multiplayer strategic-form games. While counterfactual regret minimization and fictitious play are scalable to large games and have convergence guarantees in two-player zero-sum games, they do not guarantee convergence to Nash equilibrium in multiplayer games. Recently, an approach has been presented for exact computation of Nash equilibrium in multiplayer imperfect-information games that solves a quadratically constrained program based on a nonlinear complementarity problem formulation derived from the sequence-form game representation. This formulation was solved using Gurobi's nonconvex quadratic solver, which employs spatial branch-and-bound to iteratively refine variable bounds by solving convex relaxations of bilinear terms via McCormick envelopes. During presolve, Gurobi introduces auxiliary variables and, in some cases, binary variables, leading to an internal MIQCP reformulation. This approach was demonstrated to outperform prior algorithms from the Gambit software suite and quickly solve three-player Kuhn poker after removal of dominated actions; however, the algorithm was not able to solve the full version of the game within 24 hours. In this paper, we derive finite bounds on slack and multiplier variables in the nonlinear complementarity formulation. These bounds strengthen the convex relaxations used within spatial branch-and-bound and lead to substantial computational improvements. We demonstrate the impact of the proposed bounds on exact Nash equilibrium computation in three-player Kuhn poker.

11.
arXiv (CS.CV) 2026-06-24

FLAT: Feedforward Latent Triangle Splatting for Geometrically Accurate Scene Generation

Generating explorable 3D scenes from a single image requires strong generative priors and accurate geometric representations suitable for downstream use. Current video diffusion models offer high-quality generation and implicitly encode multi-view geometric structure in latent space. However, existing feedforward latent scene decoders typically output volumetric 3D Gaussians that lack a well-defined surface, limiting their use in simulation or standard graphics pipelines. This motivates decoding surface-aligned primitives that are not only renderable but also closer to explicit geometric assets. We ask whether compressed video diffusion latents can be mapped directly to explicit surface primitives in a single pass. To this end, we introduce FLAT and, for the first time, show that triangle splats can be decoded directly from video diffusion latents. Compared with decoding 3D Gaussians, predicting flat primitives is notoriously more challenging due to high sensitivity to primitive orientations, oftentimes leading to poor gradient flow. FLAT solves with two key ingredients: a ray-centered rotation parameterization for triangle regression and a novel product window function that improves gradient flow during differentiable triangle rendering. On standard benchmarks, FLAT achieves significantly better geometric accuracy while maintaining competitive visual quality compared to state-of-the-art feedforward baselines. We further show that a lightweight test-time refinement step converts the predicted triangle soup into a fully opaque, game-engine-ready representation that supports real-time rendering. By evaluating 3DGS, 2DGS, and triangle splatting variants under an identical training setup, we provide the first systematic analysis of representation tradeoffs in feedforward scene generation. The project page is available at https://flat-splat.github.io

12.
arXiv (CS.AI) 2026-06-25

Geo-Strat-RL: Learning Geological Event Reasoning from Verifiable Tasks

作者:

arXiv:2606.25000v1 Announce Type: cross Abstract: To evaluate whether vision-language models can reason about geological histories, it is necessary to construct observations for which the underlying process history is known. Furthermore, reasoning over geological histories is not just a question of recognizing visual patterns, but also of understanding temporal and structural relationships that may be only indirectly visible or highly ambiguous. When ground-truth event histories are not uniquely identifiable or are unavailable, it remains an open challenge to teach models capable of visual reasoning to produce valid geological reconstructions that are consistent with both observed evidence and geological principles. We therefore investigate whether defining a verifiable geological reasoning task can improve geological event reconstruction across observation domains through reinforcement learning with verifiable rewards (RLVR). To this end, we present Geo-Strat-RL, a synthetic environment that generates stratigraphic observations and compact visible-evidence event histories. The environment combines a geological generator with an executable verifier that scores chronology, event identity, deposition, and structural relationships. We show that RLVR improves geological reconstruction in vision-language models (VLMs), increasing geological content scores on held out stratigraphic diagrams. We further evaluate the same held-out geological histories in a synthetic seismic observation domain by converting the generated scenes into acoustic-impedance-derived amplitude sections. In this controlled paired-renderer setting, we present evidence that geological reasoning learned from stratigraphic diagram-domain RLVR training transfers to synthetic seismic representations without seismic-specific training examples, supporting the hypothesis that RLVR can teach reusable geological reasoning concepts across related observation formats.

13.
arXiv (CS.AI) 2026-06-16

Multi-agent Framework for Time-Sensitive Complementary Collaboration in Minecraft

arXiv:2606.15684v1 Announce Type: new Abstract: We present TickingCollabBench, a Minecraft-based multi-agent benchmark for a novel class of time-sensitive complementary collaboration tasks. Our benchmark reflects four core characteristics of real-world collaboration: agent heterogeneity, mandatory collaboration, dynamic environments, and strict real-time constraints with failure risks. To enable this, we develop the TickingCollab framework, which supports the generation of diverse dynamic environments and abstracts Minecraft's primitive APIs to enable declarative YAML task specifications for composing these events. Building on this, we design a feasibility-aware automated benchmark generation pipeline, where an LLM drafts structurally diverse task configurations and feasibility verifier filters out invalid ones using approximate constraints. Evaluations demonstrate that lang latency and inherent difficulty of coordinating under partial observability and agent heterogeneity cause LLMs to frequently fail under dynamic environments and fall significantly short of a global-knowledge oracle.

14.
arXiv (CS.AI) 2026-06-11

RoboNaldo: Accurate, Stable and Powerful Humanoid Soccer Shooting via Motion-Guided Curriculum Reinforcement Learning

arXiv:2606.11092v2 Announce Type: replace-cross Abstract: Elite humanoid soccer shooting requires whole-body stability, high-impulse whole-body interactions, and accuracy to targets. Motion tracking-driven reinforcement learning (RL) provides stability in whole-body movement coordination, but a fixed reference makes it hard to adapt to varied ball positions and strike timings; in contrast, task reward-driven RL struggles to explore and discover valid kicks from scratch. We therefore introduce RoboNaldo, a three-stage motion-guided curriculum RL framework for high-impulse humanoid interaction. A single human-kick reference is used as a scaffold and progressively shifts optimization towards shooting performance. The curriculum first learns a stable whole-body kicking prior, then adapts the kick to free-kick settings where the ball is stationary at random positions, and finally extends it to moving-ball shooting through a locomotion-command and kick-trigger interface. A high-level heuristic planner controls this interface during training, while alternative high-level controllers can drive the same low-level policy at inference. In simulation, RoboNaldo demonstrates free-kick shot error 48.6% lower and shoot velocity 2.96x than prior work baselines. In real world on a Unitree G1 with onboard perception, RoboNaldo attains 0.73 m and 0.86 m average target shooting error from 3 m away in free-kick and moving-ball cases, accordingly. And the post-contact ball velocity reaches 13.10 m/s, which is 59-71% of reported professional open-play shot speed. Project page: https://opendrivelab.com/RoboNaldo.

15.
arXiv (CS.CV) 2026-06-12

Visual Place Recognition in Forests with Depth-Aware Distillation

Visual place recognition in natural forest environments remains challenging due to repetitive vegetation, weak structural cues, and significant appearance variation across traversals. To address this limitation, this paper proposes a lightweight depth-aware distillation framework that injects geometric cues into a DINOv2-based place recognition model, while maintaining its pre-trained descriptor space. Evaluated on the recent WildCross benchmark, the proposed approach yields gains over an appearance-only counterpart, providing robustness to appearance variations. These results demonstrate the importance of depth as a strong complementary modality for place recognition in natural environments and identify depth-aware distillation as a promising direction for more robust forest perception.

16.
arXiv (CS.CL) 2026-06-19

Leverage Is Not Reach: A Control-Window Law for Single-Neuron Steering in Language Models

Aligned language models gate behaviors such as refusal and language routing through sparse feed forward neurons, yet no theory predicts when a single neuron intervention controls a behavior coherently rather than collapsing the output. We develop a budget normalized control window framework for single neuron steering. A dose along one write direction reduces to one control coordinate: the alignment between the residual stream and the write, driven along a universal saturation curve in units of a coherence budget set by the residual norm divided by the write norm. Coherent control exists when a behavior trigger lies below the collapse ceiling. The same coordinate governs benign mode switches and refusal; the ceiling follows from weights and one generic forward pass, while triggers are measured at rollout. On fifteen held out neurons, the predicted ceiling has mean absolute error 0.14, about 0.07 in bulk layers, and the committed open or closed verdict holds on eleven against a ten of fifteen majority baseline. Closed cases expose three failure modes rather than violations: collapse before trigger, too little depth to propagate, or a normalization that caps how far one neuron can push. The law explains why local gradient attribution anti predicts control: true controllers write off the readout axis and carry a near zero first order gradient. A forward only contrastive screen made precise by the window recovers controllers that attribution misses. On refusal, the hardest case, intervention success is typed, not scalar: coherent bypass and strict actionable reach separate, so a neuron can flip refusal in fluent, on task text with no actionable content, and genuine actionable reach appears only for three of six audited Llama pivots and only at later rollout horizons. Single neuron steering is therefore a budgeted, typed audit of controllability rather than a fixed dose anecdote.

17.
arXiv (CS.LG) 2026-06-12

Enhanced Low-Density Region Exploration in Classifier-Guided Diffusion Models Through Modified Reverse Diffusion Sampling

arXiv:2606.13347v1 Announce Type: new Abstract: Diffusion models have emerged as state-of-the-art generative models for high-fidelity image synthesis, particularly in their classifier-free guided and classifier-guided forms. However, standard classifier guidance concentrates probability mass around high-density class mean, leading to poor coverage of rare samples in the tails of the class-conditional distributions. Recent work on diffusion-based tail sampling mitigates this by training an additional low-density-seeking classifier with a synthetic-vs-real discriminator, at the cost of additional networks and training. In parallel, a number of samplers and distillation techniques accelerate or refine diffusion sampling, but do not explicitly address long-tail coverage. We propose a purely sampling-time, density-aware extension of classifier-guided conditional diffusion model that targets low-density regions without any additional training. We have applied guidance at noisy images not on predicted noise like most diffusion models. Starting from a pretrained conditional diffusion model and classifier on ImageNet, we modify the guided reverse dynamics by steering trajectories toward low-confidence regions via the modified classifier gradient, and at each time step, we also guide the sampling process toward the predicted real image. 1st guidance helps explore low-probability samples, and 2nd guidance helps to generate samples to be close to the real data manifold. The proposed sampler consistently improves ADM model recall at 64x64 resolution while maintaining a comparable FID, and with a 256x256 ADM model, we showed the results visually with different combinations of both guidance. We also showed that standard ADM classifier guidance, combined with predicted real image guidance, helps generate high perceptual quality samples with a 256x256 ADM model on ImageNet.

18.
arXiv (CS.LG) 2026-06-11

Mechanisms of Introspective Awareness

arXiv:2603.21396v5 Announce Type: replace Abstract: Recent work has shown that LLMs can sometimes detect when steering vectors are injected into their residual stream and identify the injected concept – a phenomenon termed "introspective awareness." We investigate the mechanisms underlying this capability in open-weights models. First, we find that it is behaviorally robust: models detect injected steering vectors at moderate rates with 0% false positives across diverse prompts and dialogue formats. Notably, this capability emerges specifically from post-training; we show that preference optimization algorithms like DPO can elicit it, but standard supervised finetuning does not. We provide evidence that detection cannot be explained by simple linear association between certain steering vectors and directions promoting affirmative responses. We trace the detection mechanism to a two-stage circuit in which "evidence carrier" features in early post-injection layers detect perturbations monotonically along diverse directions, suppressing downstream "gate" features that implement a default negative response. This circuit is absent in base models and robust to refusal ablation. Identification of injected concepts relies on largely distinct later-layer mechanisms that only weakly overlap with those involved in detection. Finally, we show that introspective capability is substantially underelicited: ablating refusal directions improves detection by +53%, and a trained bias vector improves it by +75% on held-out concepts, both without meaningfully increasing false positives. Our results suggest that this introspective awareness of injected concepts is robust and mechanistically nontrivial, and could be substantially amplified in future models. Code: https://github.com/safety-research/introspection-mechanisms.

19.
arXiv (CS.LG) 2026-06-12

Where Computation Lives Inside TabPFN: Causal Localisation of Attention Head Function

arXiv:2606.12917v1 Announce Type: new Abstract: We present the first causal mechanistic analysis of a tabular foundation model, investigating how TabPFN 2.5's feature wise attention heads distribute computation across layers. Using activation patching, ablation, and attention entropy across two synthetic regression datasets, we find clear temporal specialisation: one head's causal necessity dominates that of the others by 2 to 5 times at peak layer, with its dominant layer shifting across tasks of different complexity, while the remaining heads exhibit symmetric late layer profiles. Attention entropy and patching provide convergent evidence for the computationally active layers of the dominant head. We additionally investigate inference time steerability via contrastive activation steering, which fails to transfer across samples. We attribute this result to TabPFN's in context learning mechanism, which encodes task structure through context dependent attention rather than the stable parametric directions that make steering tractable in language models.

20.
arXiv (CS.LG) 2026-06-15

XRDiff: Crystal Structure Prediction from Powder X-Ray Diffraction Data Using Diffusion Models

arXiv:2606.14003v1 Announce Type: cross Abstract: Determining the crystal structure of a material from its powder X-ray diffraction (PXRD) pattern is a central challenge in materials science. PXRD is an accessible and widely used characterization technique, yet recovering the atomic structure from diffraction data requires solving an underdetermined inverse problem due to the loss of phase information. Generative modeling can provide a prior over atomic structure and learn the mapping from PXRD patterns to crystal structures via simulated structure-spectrum pairs. We present XRDiff, a diffusion model that recovers crystal structures from PXRD given either the stoichiometry or, in a more challenging setting, the elemental constituents and total number of atoms in the unit cell. We evaluate on datasets where each stoichiometry has multiple polymorphs and all polymorphs of a given composition are held out together, ensuring that high performance reflects genuine use of the diffraction signal. XRDiff achieves strong structure recovery rates on simulated benchmarks, indicating that the model learns a spectrum-to-structure mapping precise enough to differentiate between polymorphs. To address generalization to experimental data, we compare a full-spectrum encoding against an encoding based on peak descriptors. The peak-based encoding generalizes substantially better, outperforming even a model trained on full spectra with augmentations fitted to the experimental noise distribution. These results demonstrate that representations robust to the noise and artifacts present in real-world PXRD offer a practical and scalable path toward closing the simulation-to-experiment gap, enabling zero-shot crystal structure solution from experimental PXRD with full or partial chemical composition input.

21.
arXiv (CS.AI) 2026-06-15

Think Fast: Estimating No-CoT Task-Completion Time Horizons of Frontier AI Models

arXiv:2606.07157v2 Announce Type: replace Abstract: Many efforts to ensure frontier AI models are safe rely on monitoring their chain-of-thought (CoT) reasoning. If models become able to perform sufficiently complex reasoning internally, without explicit thinking tokens, this would undermine such oversight. We measure how well frontier models reason without CoT across a suite of over 30,000 questions spanning 43 benchmarks in domains including math, coding, puzzles, causality, theory-of-mind, and strategic reasoning. To compare models against humans, we estimate the $50\%$-task-completion time horizon (TH): the human time required for tasks a model completes with $50\%$ success rate. We complement this with a $50\%$ reasoning token horizon: the minimum number of o3-mini reasoning tokens needed for tasks a model solves with $50\%$ success rate. We find that the no-CoT $50\%$ TH of frontier models has been doubling roughly every year over the past six years, with GPT-5.5's TH reaching over 3 minutes and reasoning token horizon exceeding 1,500 tokens. Our median estimates predict that frontier no-CoT THs could exceed 7 minutes by 2028, and 25 minutes by 2030, though these projections carry substantial uncertainty. We recommend frontier developers track this explicitly.

22.
arXiv (CS.AI) 2026-06-17

First, do NOHARM: towards clinically safe large language models

arXiv:2512.01241v3 Announce Type: replace-cross Abstract: Large language models (LLMs) are routinely used by physicians and patients for medical advice, yet their clinical safety profiles remain poorly characterized. We present NOHARM (Numerous Options Harm Assessment for Risk in Medicine), a 1,100-task benchmark of primary care-to-specialist consultation cases to measure the frequency and severity of harm from LLM-generated medical recommendations. NOHARM covers 10 specialties, with 12,747 expert annotations for 4,249 clinical management options. Across 28 LLMs, recommendations carried the potential for severe harm in up to 22.6% of cases, with errors of omission accounting for more than 80% of severe errors. In a randomized trial of 101 generalist physicians, human benchmark performance significantly improved with AI assistance, yet physicians remained far from realizing the potential of AI tools, frequently ignoring essential advice surfaced by AI. Safety performance tracked general-intelligence and medical-knowledge benchmarks across the full range of models but decoupled at the frontier. Despite strong performance on existing evaluations, widely used AI models can produce medical advice with the potential for severe harm at non-trivial rates, highlighting the importance of explicit measurement of clinical safety.

23.
arXiv (CS.LG) 2026-06-16

Graphical conditional generative modeling for digital twin modeling

arXiv:2606.16219v1 Announce Type: cross Abstract: Digital twin modeling, including control and data assimilation under model uncertainty, often faces an open-ended fidelity problem: adding variables, data streams, and time scales can indefinitely increase model complexity, ultimately producing systems that are difficult to maintain, validate, interpret, and use for stress or safety testing. As an alternative, one can seek parsimonious stochastic surrogate models built only on the variables needed to describe the relevant quantities of interest. We introduce a framework for discovering such variables from observational data by identifying which candidate inputs influence the full conditional law of a target quantity, rather than only its conditional mean. This distinction is essential in stochastic, coarse-grained, or partially observed systems, where dependencies may appear through changes in variability, tail behavior, multimodality, or uncertainty rather than through deterministic functional relationships. The framework couples conditional generative modeling, which learns the conditional distribution of the target given candidate inputs, with Gaussian-process-based analysis of variance (through kernel mode decomposition), which enables iterative pruning of non-influential inputs and interpretable structure discovery. In control settings, the resulting surrogate can be interpreted as a learned Markov decision process: the method identifies not only a transition model, but also the state, action, and memory variables needed to make the learned dynamics effectively Markovian. Across examples involving stochastic dynamical systems, missing variables, PDE control, reinforcement learning, and economic data, the discovered structures yield interpretable stochastic surrogates whose downstream performance is comparable to models trained on the full variable set.

24.
arXiv (math.PR) 2026-06-16

A uniform-in-time weakly convergent explicit numerical method for the underdamped Langevin equation with polynomial potentials

作者:

arXiv:2606.15175v1 Announce Type: cross Abstract: The underdamped Langevin equation is a fundamental model in statistical mechanics for sampling Gibbs measures and simulating molecular dynamics, for which numerical methods with uniform-in-time weak convergence are essential for accurately reproducing long-time statistical observables and invariant measures of the underlying dynamics. Currently, such uniform-in-time weak convergence is established for implicit schemes, but remains unknown for explicit ones under polynomially growing potentials. To improve efficiency in long-time simulations, we propose the first explicit numerical method for the underdamped Langevin equation with polynomially growing potentials that is proven to achieve uniform-in-time weak convergence. The explicit numerical method is constructed by introducing a dissipativity on the scalar auxiliary variable (SAV), which we call the DSAV method. The proposed DSAV method enables the approximation of the invariant measure for the underdamped Langevin equation with a precision of $\varepsilon$ at a significantly reduced computational cost of $\mathcal{O}(\varepsilon^{-1} \log(\varepsilon^{-1}))$. In addition, we establish the existence and positivity of the density function of the numerical solution without using the Malliavin calculus. Numerical experiments are performed to verify the theoretical findings and demonstrate the long-time stability of the proposed numerical method.

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arXiv (CS.AI) 2026-06-17

Gaussian DP for Reporting Differential Privacy Guarantees in Machine Learning

arXiv:2503.10945v3 Announce Type: replace-cross Abstract: Current practices for reporting differential privacy (DP) guarantees for machine learning (ML) algorithms such as DP-SGD provide an incomplete and potentially misleading picture. For instance, if only a single $(\varepsilon, \delta)$ is known about a mechanism, standard analyses show that there could exist highly accurate inference attacks against training data records, when, upon a more careful analysis, such accurate attacks do not exist for most practical mechanisms. In this position paper, we argue that using _non-asymptotic_ Gaussian Differential Privacy (GDP) as the primary means of communicating DP guarantees in ML avoids these potential downsides. Using two recent developments in the DP literature: (i) open-source numerical accountants capable of computing the privacy profile and $f$-DP curves of DP-SGD to arbitrary accuracy, and (ii) a decision-theoretic metric over DP representations, we show how to provide non-asymptotic bounds on GDP using numerical accountants, and show that GDP can capture the entire privacy profile of DP-SGD and related algorithms with virtually no error, as quantified by the metric. To support our claims, we investigate the privacy profiles of state-of-the-art DP large-scale image classification, and the TopDown algorithm for the U.S. Decennial Census, observing that GDP fits their profiles remarkably well in all cases. We conclude with a discussion on the strengths and weaknesses of this approach, and discuss which other privacy mechanisms could benefit from GDP.