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01.
arXiv (quant-ph) 2026-06-17

A Quantum Approach to Stochastic Optimization in Insurance Underwriting

arXiv:2605.01169v2 Announce Type: replace Abstract: The presence of stochastic elements in combinatorial optimization problems makes them particularly challenging, as such problems quickly become intractable for classical computers even at relatively small sizes. In this work, we propose a novel quantum-classical hybrid scheme for solving a class of stochastic optimization problems known as chance-constrained knapsack problems, in which item weights follow probability distributions and constraints may be violated within a specified risk tolerance. Our method employs knapsack-specific QAOA-based circuits to generate samples which, when combined with a new self-consistent classical recovery scheme introduced in this work, produce high-quality solutions. Experiments carried out on IBM Heron processors, using circuits with depths up to 177 and comprising 3443 gates acting on as many as 150 qubits, yield solutions that indicate performance comparable to classical optimization schemes. The proposed quantum-classical scheme paves the way to tackling such problems, with the potential to outperform approaches that rely solely on classical computation.

02.
arXiv (CS.CL) 2026-06-11

Sonar-TS: Search-Then-Verify Natural Language Querying for Time Series Databases

Natural Language Querying for Time Series Databases (NLQ4TSDB) aims to assist non-expert users retrieve meaningful events, intervals, and summaries from massive temporal records. However, existing Text-to-SQL methods are not designed for continuous morphological intents such as shapes or anomalies, while time series models struggle to handle ultra-long histories. To address these challenges, we propose Sonar-TS, a neuro-symbolic framework that tackles NLQ4TSDB via a Search-Then-Verify pipeline. Analogous to active sonar, it utilizes a feature index to ping candidate windows via SQL, followed by generated Python programs to lock on and verify candidates against raw signals. To enable effective evaluation, we introduce NLQTSBench, the first large-scale benchmark designed for NLQ over TSDB-scale histories. Our experiments highlight the unique challenges within this domain and demonstrate that Sonar-TS effectively navigates complex temporal queries where traditional methods fail. This work presents the first systematic study of NLQ4TSDB, offering a general framework and evaluation standard to facilitate future research.

03.
arXiv (quant-ph) 2026-06-19

Measuring Rényi entropy with an Echo Protocol

arXiv:2504.05237v3 Announce Type: replace Abstract: We present efficient and practical protocols to measure the second Rényi entropy, whose exponential is known as the purity. Our approach is based on expressing the purity in terms of transition probabilities generated by an echo-type forward-backward evolution sequence, making it applicable to quantum many-body systems. Notably, our approach does not rely on random-noise averaging, a feature that can be extended to protocols to measure out-of-time-order correlation functions, as we demonstrate. By way of example, we show that our protocols can be practically implemented in superconducting qubit-based platforms, as well as in cavity-QED trapped ultra-cold gases.

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

Be Your Own Teacher: Steering Protein Language Models via Unsupervised Reward Optimization

arXiv:2606.18961v1 Announce Type: new Abstract: Protein language models (PLMs) have emerged as powerful tools for controllable biomolecular design, yet their post-training adaptation typically relies on costly wet-lab validation or curated preference datasets. To overcome this supervision bottleneck, we introduce unsupervised reward optimization of PLMs, a comprehensive framework for steerable protein generation without ground-truth labels. Our key insight is that task-agnostic rewards, which combine intrinsic model uncertainty with extrinsic semantic consistency informed by protein representation models, exhibit strong correlation with controllability measures across base models and temperature regimes. Building upon this discovery, we propose two offline algorithms: Soft Reward Optimization (SRO) and Binarized Reward Optimization (BRO), which effectively maximize the classical RLHF objective induced by these proxy rewards. Extensive experiments on compositional out-of-distribution prompts demonstrate that both methods significantly outperform competitive baselines (DPO, KTO), while approaching oracle performance across multiple sampling temperatures, model scales and protein families. Moreover, PLMs fine-tuned with unsupervised rewards can achieve consistently higher coverage compared to their base model in pass@k evaluations. By enabling self-improvement of PLMs through their own generated experience, our framework provides a scalable pathway toward controllable biomolecular design in settings where labeled preferences or experimental feedback are scarce or unavailable.

05.
arXiv (CS.AI) 2026-06-16

Odds Law: The Decomposition Algebra On How Intelligence Organizes Itself to Solve Difficult Problems Reliably

作者:

arXiv:2606.15712v1 Announce Type: cross Abstract: We ask a structural question: given unreliable elementary problem-solvers, what organizations of them solve hard problems reliably, and what are the limits? We develop a $decomposition~algebra$: elementary solvers are morphisms in a stochastic category, and four combinators (sequential composition, parallel ensembling, verification gating, and recursive reduction) generate the space of compound solvers. We equip this algebra with two homomorphisms, a $reliability$ valuation into the ordered monoid $([0,1],\le)$ and a $cost$ valuation into a commutative semiring, and we derive the composition laws that govern how reliability flows through structure. Our central results are (i) a $verification~odds~law$ (the result that names this report), showing that a verification gate multiplies the odds of correctness by the verifier's likelihood ratio $\Lambda$, so that $k$ conditionally independent gates yield geometric amplification; (ii) a $reliability~amplification~theorem$, giving target reliability $1-\delta$ at $O(\log 1/\delta)$ verification depth whenever $\Lambda>1$; and (iii) a $threshold~dichotomy$: above the critical parameters reliability can be driven arbitrarily close to one at logarithmic cost, while at or below them no amplification is possible. We then show that $self-organization$ is the least fixed point of a monotone improvement operator on the complete lattice of strategies, and that this fixed point equalizes marginal log-odds gain per unit cost. Finally, we prove matching limits: an information ceiling bounds per-gate amplification by a divergence quantity; shared error causes create a strictly positive voting floor, so diversity is $necessary$ for unbounded amplification. Reliability, in short, is neither free nor magical: it is bought with independent information, arranged by composition, and bounded by the verifier.

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

From Uniform to Learned Graph Priors: Diffusion for Structure Discovery

arXiv:2606.11831v1 Announce Type: cross Abstract: Neural relational inference (NRI) methods discover interaction graphs from trajectories through variational reasoning on discrete potential edges. However, these methods typically rely on oversimplified, factorized graph priors. Such priors, typically nearing uniform distributions, treat edges as independent entities. This systemic misalignment does not match the real-world systems and yields diffuse and indecisive edge posteriors limiting the reliability of structural discovery. To address this, we propose Diff-prior, a diffusion-parameterized adaptive prior used to calibrate latent graph distribution rather than generate graphs. Our core insight is to reframe prior integration as a learnable denoising-style calibration that organizes scattered, uncertain edge posteriors into a more reliable overall structure which can be trained by the diffusion model. Diff-prior learns an adaptive structure prior that performs structured calibration on the edge posteriors during inference, guiding it towards a distribution closer to the underlying structure. The diff-prior operates before structural sampling and acts as a denoising calibrator directly on the encoder edge distribution, which provides a generic training paradigm over structured variables. Experiments on standard benchmarks validated our framework, and the results indicate that Diff-prior improves the performance of structure inference and generates more decisive edge posteriors across multiple NRI-family architectures. The code is available on https://github.com/Hardy158118/Diffprior.

07.
arXiv (CS.CL) 2026-06-18

Mitigating Scoring Errors and Compensating for Nonverbal Subtests in Speech-Based Dementia Assessment

Early detection of cognitive impairment relies on neuropsychological tests to minimize subjectivity by assessing multiple cognitive domains. Speech-based evaluation can support diagnostics and improve accessibility, but transcription errors and the omission of nonverbal subtests (e.g., motor skills) limit accuracy. Beyond conventional test scores, speech-derived features can provide additional insights into cognitive status. This study investigates the speech-based evaluation of the German "Syndrom-Kurz-Test," a standardized dementia screening test comprising verbal and motor subtests. We train models that integrate transcript-derived scores and Whisper embeddings per verbal subtest to reduce scoring errors. To compensate for missing motor subtests, we then leverage these fused representations to approximate expert overall ratings. Despite omitting subtests, our models strongly correlate with expert ratings and efficiently and accurately discriminate between cognitive status groups.

08.
arXiv (CS.CV) 2026-06-16

Qwen-RobotWorld Technical Report: Unifying Embodied World Modeling through Language-Conditioned Video Generation

We introduce Qwen-RobotWorld, a language-conditioned video world model for embodied intelligence. With natural language as a unified action interface, it predicts physically grounded future visual trajectories from current observations across robotic manipulation, autonomous driving, indoor navigation, and human-to-robot transfer. This unified formulation provides three promising application directions: synthetic data generation for policy training augmentation, scalable virtual environments for policy evaluation, and language-guided planning signals for downstream robot control. This is achieved through a three-part design: a) Double-Stream MMDiT with MLLM Action Encoding, where a 60-layer double-stream diffusion transformer couples frozen Qwen2.5-VL semantics with video-VAE latents through layer-wise joint attention; b) Embodied World Knowledge (EWK), an 8.6M video-text corpus (200M+ frames) with action-language mapping over 20+ embodiments and 500+ action categories; and c) General+Expert Progressive Curriculum, a two-stage training strategy that first learns general visual priors and then injects embodied specialization under a shared language interface. Extensive results show strong competitiveness: ranks 1st overall on EWMBench and DreamGen Bench, outperforms all open-source models on WorldModelBench and PBench. Additional zero-shot analyses on RoboTwin-IF benchmark further support robust generalization and multi-view consistency.

10.
arXiv (CS.LG) 2026-06-18

Task-Restricted Symmetries in Recurrent Weight Space

arXiv:2606.18457v1 Announce Type: new Abstract: Recurrent networks can contain substantial functional redundancy in weight space: changing a recurrent matrix may leave the input-output rollout nearly unchanged on a task distribution, while similar-scale changes can destroy the same behavior. We study this redundancy in one-layer tanh RNNs using ordered real Schur coordinates. The Schur form separates spectral blocks from directed nonnormal couplings, giving a diagnostic basis for structured ablations that keep the input and readout maps fixed. In a fixed-length copy task, selected nonnormal Schur couplings can be removed with little loss in some trained solutions, whereas other couplings are necessary for accurate autonomous replay. Across flip-flop, sine generation, and context-dependent integration, the loss-preserving ablation profile varies across tasks and trained solutions. These results identify candidate approximate functional invariances, not universal symmetries of recurrent weight space. Schur-coordinate ablations provide a practical diagnostic for which structured perturbations preserve a trained recurrent solution and which ones disrupt its computation.

11.
arXiv (math.PR) 2026-06-12

The censored stochastic six-vertex model and parabolic Kazhdan–Lusztig $R$-polynomials

arXiv:2606.12670v1 Announce Type: new Abstract: We introduce a censored version of the stochastic six-vertex model. We show that for parameters $b_1 < b_2$, this model started from the initial condition ${1}_{x>0}$ is stochastically dominated at any time by the blocking measure. This is a partial analog of the censoring inequality for monotone spin systems. In particular, this result allows us to control the behavior of second-class particles. The proof uses parabolic Kazhdan–Lusztig $R$-polynomials, whose appearance is explained using a connection between the stochastic six-vertex model and the Iwahori–Hecke algebras of symmetric groups. Furthermore, we find an intertwining relation for this process using normalized parabolic Kazhdan–Lusztig $R$-polynomials as an intertwining kernel.

12.
arXiv (CS.CV) 2026-06-16

Where Does Texture Evidence Live in SAM? Features, Proposal Masks, and Texture Segmentation

Texture segmentation stresses foundation segmentation because meaningful regions are defined by material or repeated appearance rather than object identity. Segment Anything Models (SAMs) often fail by default on such texture-defined partitions, but this failure is ambiguous: the texture evidence may be absent, missing from the proposal bank, or present but selected or assembled incorrectly by an object-centric readout. We ask what texture-relevant evidence is already preserved in frozen SAM before adaptation. We study two frozen evidence spaces: multiscale features, probed with a minimal clustering readout, and the automatic proposal bank, treated as evidence for a supervised consolidation readout. SAM is frozen throughout; we do not fine-tune the backbone or retrain the proposal generator. Across RWTD, STLD, an ADE20K-selected refined-crop complement, and a ControlNet-stitched PTD bridge archive, frozen SAM is not a texture segmenter by default, but its failures are not simple texture blindness. Coarse frozen features preserve texture organization, and proposal banks often contain texture-aligned masks or fragments. Natural scenes more often require assembly and commitment over fragments, while cleaner synthetic cases more often reduce to selecting an already coherent proposal. Default mask failure should therefore be decomposed into representation evidence, proposal-bank support, readout mismatch, and commitment failure.

13.
arXiv (CS.CL) 2026-06-17

Fine-tuning LLMs for Passive Depression Severity Estimation from AI Mental Health Dialogue

Depression is the leading cause of disability worldwide, and early detection of symptom change is essential for timely intervention. Validated instruments such as the Patient Health Questionnaire-9 (PHQ-9) support symptom monitoring at scale, but real-world completion rates are low, introducing response bias and systematic missingness. Passive approaches that infer severity from routinely generated data could close this gap. We address this by predicting PHQ-9 total scores directly from transcripts of conversations between users and an AI mental health application, requiring only conversation text and no additional clinical data. We fine-tune a Qwen3.5-27B backbone with a regression head, augment 3,111 ground-truth labels with pseudolabels generated by a reasoning model (Claude Opus) and iteratively trained intermediate models, for a combined dataset of 6,283 users. On a held-out test set of 842 users, our best model achieves MAE = 2.6, RMSE = 4.0, Pearson r = 0.80, and AUC = 0.91 at the PHQ-9 >= 10 clinical threshold. We also find AUC > 0.87 at every severity threshold from PHQ-9 >= 3 to PHQ-9 >= 24, demonstrating that the model captures depression severity across the full clinical spectrum. This work opens the door to passive, continuous symptom monitoring in AI mental health platforms, without requiring users to complete self-report measures.

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

Measuring Semantic Progress in Multi-turn Dialogue via Information Gain

Evaluating multi-turn dialogue is challenging because quality emerges across turns rather than within individual responses. We focus on a key dimension of information-seeking dialogue: semantic progress, defined as the accumulation of new, question-relevant, and non-redundant information over the course of a conversation. We formalize semantic progress as question-conditioned uncertainty reduction and introduce an information-theoretic metric that approximates it in embedding space. Our main estimator uses a tractable Gaussian formulation with closed-form updates, while a complementary maximum-entropy argument shows why log-determinant structure arises more broadly when only second-order embedding information is retained. This formulation yields desirable theoretical properties, including monotonicity, additive decomposition of total information gain across turns, and diminishing returns for redundant evidence. Unlike LLM-as-a-judge approaches, our metric requires no autoregressive inference at evaluation time and is fully reproducible for a fixed embedding model. Experiments on MT-Bench, Chatbot Arena, and UltraFeedback show that the proposed metric achieves competitive agreement with human judgments despite targeting only semantic progress, with improved alignment on MT-Bench and UltraFeedback compared to several LLM-based judges. Notably, the method remains effective with lightweight embedding models under CPU-only execution, indicating that semantic progress can be captured without reliance on large model capacity.

15.
arXiv (math.PR) 2026-06-18

Finite free perpetuities

arXiv:2606.19115v1 Announce Type: new Abstract: We introduce and study finite free perpetuities, defined as monic polynomial solutions of degree $n$ to the affine fixed-point equation \[ p(z) = \mathbb{E}\!\left[ A^{n}\,p\!\left(\frac{z-B}{A}\right)\mathbf{1}_{\{A\neq0\}} \right] + \mathbb{E}\!\left[ (z-B)^n\mathbf{1}_{\{A=0\}} \right], \] where $A$ and $B$ are complex-valued random variables with finite moments up to order $n$. Equivalently, if $p(z)=\mathbb{E}[(z-X)^n]$, then $p$ encodes a truncated moment version of the classical perpetuity equation $X\stackrel{d}{=}AX+B$ with $X$ and $(A,B)$ independent. This places finite free perpetuities between classical perpetuities and free-probabilistic fixed-point laws. We prove existence and uniqueness under weak conditions, and we identify a broad class of admissible pairs $(A,B)$ for which the resulting polynomial has only real, nonnegative zeros. Our approach uses finite free additive and multiplicative convolutions together with a probabilistic representation via the $U$-transform. As a motivating example, we exhibit an explicit family of finite free perpetuities expressed in terms of Jacobi polynomials and show that their empirical root distributions converge to a free-beta-prime law. More generally, for admissible sequences of parameters, we prove weak convergence of the empirical root distributions of finite free perpetuities to the law of a free perpetuity characterized by the corresponding free fixed-point equation. This yields a finite-degree polynomial model approximating free perpetuities and clarifies the connection between classical affine recursions, finite free convolutions, and free probability.

16.
arXiv (quant-ph) 2026-06-16

Adiabatically-induced Kawaguchi geometry and jerk in quantum-classical systems

arXiv:2606.16037v1 Announce Type: new Abstract: Adiabatically eliminating the quantum degrees of freedom in a mixed quantum-classical system produces an effective force in the classical equation of motion. The elimination can be made to any order in the adiabatic parameter, generating a series of higher order forces. By applying a sequence of near-identity unitary transformations to the quantum state, we derive a hierarchy of increasingly accurate effective actions for the classical variables. The third order Euler-Lagrange equation is non-Newtonian as the force depends on the jerk, the third order time derivative of position. We find that the third order terms induce a special kind of Kawaguchi geometry on the space of classical variables. This geometry is characterized by an almost symplectic structure and a differential line element that depends on the acceleration in addition to the velocity. Our results can be used to efficiently capture higher order nonadiabatic effects in molecular dynamics simulations.

17.
arXiv (CS.LG) 2026-06-18

TINNs: Time-Induced Neural Networks for Solving Time-Dependent PDEs

arXiv:2601.20361v2 Announce Type: replace Abstract: Physics-informed neural networks (PINNs) solve time-dependent partial differential equations (PDEs) by learning a mesh-free, differentiable solution that can be evaluated anywhere in space and time. However, standard space-time PINNs take time as an input but reuse a single network with shared weights across all times, forcing the same features to represent markedly different dynamics. This coupling degrades error performance and can destabilize training when enforcing PDE, boundary, and initial constraints jointly. We propose Time-Induced Neural Networks (TINNs), a novel architecture that parameterizes the network weights as a learned function of time, allowing the effective spatial representation to evolve over time while maintaining shared structure. The resulting formulation naturally yields a nonlinear least-squares problem, which we optimize efficiently using a Levenberg-Marquardt method. Experiments on various time-dependent PDEs show up to 4 times improved relative error and 10 times faster convergence compared to PINNs and strong baselines.

18.
arXiv (CS.CL) 2026-06-12

LAUKIN: A Multi-jurisdictional Common Law Contract Dataset

Multinational companies increasingly require cross-jurisdictional contract review, yet existing legal NLP datasets are largely restricted to a single jurisdiction. We introduce LAUKIN (Legal equivalence dataset of Australia, UK, and INdia), a dataset of clause pairs (AU-UK, UK-IN, IN-AU) labelled for boolean legal equivalence. We develop a novel multi-stage retrieval and reranking pipeline to construct the initial clause pair mapping, with a subset of clause pairs subsequently annotated by legal experts as Equivalent or Not Equivalent. The dataset comprises 14,727 clause pairs from 204 contracts across 8 agreement types, of which 3,000 are manually labelled: 900 train, 600 dev, and 1,500 test. We evaluate 12 models across 4 techniques, achieving a best macro-F1 of 65.11%, establishing LAUKIN as a challenging benchmark. Results reveal that, despite shared legal heritage, drafting conventions diverge significantly across jurisdictions, making cross-jurisdictional equivalence classification non-trivial. LAUKIN also includes 11,727 unlabelled training pairs to support future semi-supervised learning research in legal NLP.

19.
arXiv (CS.AI) 2026-06-17

OmniRetarget: Interaction-Preserving Data Generation for Humanoid Whole-Body Loco-Manipulation and Scene Interaction

arXiv:2509.26633v3 Announce Type: replace-cross Abstract: A dominant paradigm for teaching humanoid robots complex skills is to retarget human motions as kinematic references to train reinforcement learning (RL) policies. However, existing retargeting pipelines often struggle with the significant embodiment gap between humans and robots, producing physically implausible artifacts like foot-skating and penetration. More importantly, common retargeting methods neglect the rich human-object and human-environment interactions essential for expressive locomotion and loco-manipulation. To address this, we introduce OmniRetarget, an interaction-preserving data generation engine based on an interaction mesh that explicitly models and preserves the crucial spatial and contact relationships between an agent, the terrain, and manipulated objects. By minimizing the Laplacian deformation between the human and robot meshes while enforcing kinematic constraints, OmniRetarget generates kinematically feasible trajectories. Moreover, preserving task-relevant interactions enables efficient data augmentation, from a single demonstration to different robot embodiments, terrains, and object configurations. We comprehensively evaluate OmniRetarget by retargeting motions from OMOMO, LAFAN1, and our in-house MoCap datasets, generating over 8-hour trajectories that achieve better kinematic constraint satisfaction and contact preservation than widely used baselines. Such high-quality data enables proprioceptive RL policies to successfully execute long-horizon (up to 30 seconds) parkour and loco-manipulation skills on a Unitree G1 humanoid, trained with only 5 reward terms and simple domain randomization shared by all tasks, without any learning curriculum.

20.
arXiv (CS.LG) 2026-06-12

Net-Ev$^2$: A Generative Simulator for Network Event Evolution

arXiv:2606.12494v1 Announce Type: new Abstract: Reducing real-world trial and error has long been a central goal of decision making, and generative simulators advance this goal by modeling the evolution of future states. An even more challenging yet meaningful task is simulating how disturbance events (e.g., accidents) propagate their impacts across real-world networks. The existing approaches fall short of modeling both structured attributes and unstructured semantics of events, and capturing topological structures in simulating network event evolution. Therefore, we are motivated to propose Net-Ev$^2$ ($\underline{Net}$work $\underline{Ev}$ent $\underline{Ev}$olution), a novel generative simulator that jointly leverages event cues while preserving network topology in simulations. Specifically, the framework consists of two stages, namely structure-guided masked pre-training and topology-aware diffusion process, which is achieved by U-Net-like graph downsampling and upsampling during denoising. At inference time, Net-Ev$^2$ can generate simulations using natural-language event input only, with greater flexibility for practical usage. Furthermore, we introduce Net-Ev$^2$-6.5M, a multimodal benchmark of aligned event and network traffic data across four large-scale road networks, as well as a new topology-aware metric, namely JL-MMD, to evaluate topological fidelity in generated network dynamics. Extensive experiments demonstrate the state-of-the-art performance and strong generalization ability of Net-Ev$^2$. Code is made available at https://github.com/Guangyu4/Net-Ev-2.

21.
medRxiv (Medicine) 2026-06-15

Reaching out-of-school girls with HPV vaccination: A qualitative evaluation in six low- and middle-income countries using the RE-AIM framework

Background Infection with human papillomavirus (HPV), the primary cause of cervical cancer, disproportionately affects women in low- and middle-income countries (LMICs). While school-based vaccination of adolescent girls against HPV is highly effective, this strategy systematically excludes out-of-school (OOS) girls. Using the RE-AIM framework, we explored strategies to reach OOS girls with HPV vaccination across six African and Asian LMICs. Methods We conducted semi-structured key informant interviews with 32 vaccination program stakeholders from Cambodia, Cameroon, Kenya, Malawi, Mozambique, and Uganda between May and September 2024. Interviews explored countries implementation successes, challenges, and strategies to reach OOS girls with HPV vaccination and sustainability considerations. Data were analyzed using a hybrid team-based thematic analysis approach guided by the RE-AIM framework. Results Community outreach-based strategies, typically integrated into routine immunization outreach, were identified as the most effective approach to reach OOS girls with HPV vaccination. Targeted strategies, such as locating outreach clinics in community venues frequented by OOS girls (e.g., churches, markets) enhanced implementation. Perceived effectiveness of these strategies varied across participants, and formal assessment of effectiveness was constrained by the absence of disaggregated vaccination coverage data by school enrollment status. Some subpopulations of OOS girls (i.e., girls in nomadic or migrant communities, urban OOS girls) were not readily reached through standard outreach approaches, prompting implementation of adapted and tailored strategies for these subpopulations. Costs associated with conducting outreach in harder-to-reach areas were major barriers to reaching OOS girls, presenting challenges to the sustainability and cost-effectiveness of these approaches. Conclusions Routine community outreach platforms were widely perceived as most effective for reaching OOS girls. Strengthening disaggregated monitoring systems, adapting outreach for harder-to-reach subpopulations of OOS girls, and financing delivery models for tailored outreach strategies will be critical to improving equitable HPV vaccine coverage among OOS girls.

22.
arXiv (CS.LG) 2026-06-12

Thermodynamic assessment of machine learning models for solid-state synthesis prediction

arXiv:2602.04075v2 Announce Type: replace-cross Abstract: Machine learning models have recently emerged to predict whether hypothetical solid-state materials can be synthesized. These models aim to circumvent direct first-principles modeling of solid-state phase transformations, instead learning from large databases of successfully synthesized materials. Here, we assess the alignment of several recently introduced synthesis prediction models with material and reaction thermodynamics, quantified by the energy with respect to the convex hull and a metric accounting for thermodynamic selectivity of enumerated synthesis reactions. A dataset of successful synthesis recipes was used to determine the likely bounds on both quantities beyond which materials can be deemed unlikely to be synthesized. With these bounds as context, thermodynamic quantities were computed using the CHGNet foundation potential for thousands of new hypothetical materials generated using the Chemeleon generative model. Four recently published machine learning models for synthesizability prediction were applied to this same dataset, and the resultant predictions were considered against computed thermodynamics. We find these models generally overpredict the likelihood of synthesis, but some model scores do trend with thermodynamic heuristics, assigning lower scores to materials that are less stable or do not have an available synthesis recipe that is calculated to be thermodynamically selective. In total, this work identifies existing gaps in machine learning models for materials synthesis and introduces a new approach to assess their quality in the absence of extensive negative examples (failed syntheses).

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

Smoothness Errors in Dynamics Models and How to Avoid Them

arXiv:2602.05352v3 Announce Type: replace Abstract: Modern neural networks have shown promise for solving partial differential equations over surfaces, often by discretizing the surface as a mesh and learning with a mesh-aware graph neural network. However, graph neural networks suffer from oversmoothing, where a node's features become increasingly similar to those of its neighbors. Unitary graph convolutions, which are mathematically constrained to preserve smoothness, have been proposed to address this issue. Despite this, in many physical systems, such as diffusion processes, smoothness naturally increases and unitarity may be overconstraining. In this paper, we systematically study the smoothing effects of different GNNs for dynamics modeling and prove that unitary convolutions hurt performance for such tasks. We propose relaxed unitary convolutions that balance smoothness preservation with the natural smoothing required for physical systems. We also generalize unitary and relaxed unitary convolutions from graphs to meshes. In experiments on PDEs such as the heat and wave equations over complex meshes and on weather forecasting, we find that our method outperforms several strong baselines, including mesh-aware transformers and equivariant neural networks.

24.
arXiv (CS.AI) 2026-06-18

Recursive Joint Simulation in Games

arXiv:2402.08128v3 Announce Type: replace Abstract: Game-theoretic dynamics between AI agents could differ from traditional human-human interactions in various ways. One such difference is that it may be possible to accurately simulate an AI agent, for example because its source code is known. Such an agent would then be fundamentally uncertain whether it is in the real world or in a simulation. Our aim is to explore ways of leveraging this possibility to achieve more cooperative outcomes in strategic settings. In this paper, we study an interaction between AI agents where the agents run a recursive joint simulation. That is, the agents first jointly observe a simulation of the situation they face. This simulation in turn recursively includes additional simulations (with a small chance of failure, to avoid infinite recursion), and the results of all these nested simulations are observed before an action is chosen. We show that the resulting interaction is strategically equivalent to an infinitely repeated version of the original game, allowing a direct transfer of existing results such as the various folk theorems. As evidence that the equivalence is robust, we show that it holds even when we relax some of the assumptions and that it also holds ``from the inside'' – meaning, for an agent that finds itself inside the game and has self-locating uncertainty.

25.
arXiv (CS.AI) 2026-06-18

The More the Merrier: Combining Properties for ABox Abduction under Repair Semantics for ELbot

arXiv:2606.19197v1 Announce Type: cross Abstract: Abduction is a central approach to explain missing entailments from a knowledge base by providing a hypothesis, that would, if added to the knowledge base, make the missing entailment become true. Abduction under repair semantics has recently been investigated in detail, where several desirable properties and optimality criteria were considered, such as signature-restrictions and minimality in size and of introduced conflicts. Naturally, hypotheses that satisfy more than one of these properties or combine a property with an optimality criterion would be even more desirable for applications. So far, such hypotheses have not been investigated in the literature. In the present paper, we consider the ABox abduction problem for hypotheses satisfying more than one property or additional optimality criteria, for EL_bot under brave and AR semantics. Our main observation is that often requiring additional properties for hypotheses does not lead to an increase of complexity.