Academic Intelligence · Curated Daily

探索全球前沿学术脉络

AcademicHub 汇聚顶级期刊与预印本平台的实时文献。定制您的专属科研雷达,利用大语言模型自动生成交叉领域文献分析简报。

01.
arXiv (CS.LG) 2026-06-16

Can Neural Networks Achieve Optimal Computational-statistical Tradeoff? An Analysis on Single-Index Model

arXiv:2606.15219v1 Announce Type: new Abstract: In this work, we tackle the following question: Can neural networks trained with gradient-based methods achieve the optimal computational-statistical tradeoff in learning Gaussian single-index models? Prior research has shown that any polynomial-time algorithm under the statistical query (SQ) framework requires $\Omega(d^{s^\star/2}\lor d)$ samples, where $s^\star$ is the generative exponent representing the intrinsic difficulty of learning the underlying model. However, it remains unknown whether neural networks can achieve this sample complexity. Inspired by prior techniques such as label transformation and landscape smoothing for learning single-index models, we propose a unified gradient-based algorithm for training a two-layer neural network in polynomial time. Our method is adaptable to a variety of loss and activation functions, covering a broad class of existing approaches. We show that our algorithm learns a feature representation that strongly aligns with the unknown signal $\theta^\star$, with sample complexity $\widetilde{O} (d^{s^\star/2} \lor d)$, matching the SQ lower bound up to a polylogarithmic factor for all generative exponents $s^\star\geq 1$. Furthermore, we extend our approach to the setting where $\theta^\star$ is $k$-sparse for $k = o(\sqrt{d})$ by introducing a novel weight perturbation technique that leverages the sparsity structure. We derive a corresponding SQ lower bound of order $\widetilde{\Omega}(k^{s^\star})$, matched by our method up to a polylogarithmic factor. Our framework, especially the weight perturbation technique, is of independent interest, and suggests potential gradient-based solutions to other problems such as sparse tensor PCA.

02.
arXiv (CS.LG) 2026-06-19

Physics-Informed Discovery of Yield Functions in Plasticity via Convex Neural Representations

arXiv:2606.19375v1 Announce Type: new Abstract: Identifying anisotropic yield functions remains challenging since yielding is not directly observed in full-field mechanical measurements, directional calibration can require many loading directions, and selecting an appropriate analytical form is nontrivial. This study proposes a physics-informed framework for discovering yield functions from full-field displacement data and reaction force data, without stress observations, plastic strain measurements, direct yield surface data, or a prescribed parametric yield function. The framework identifies the yield function as a mechanically constrained constitutive component inside elastoplastic stress integration, rather than through direct stress-space supervision. The yield function is represented by a convex neural network that enforces convexity and positive homogeneity of degree one while imposing the assumed tension-compression symmetry, and this neural yield function is trained with a differentiable stress update and a physics-informed force equilibrium loss across multiple loading cases. The proposed framework is validated using finite element (FE) benchmark studies with von Mises, Hill 1948, and Yld2000-2d yield functions, assessing yield contour agreement, displacement-noise sensitivity, identifiability through plastically active stress states, epistemic uncertainty, and polynomial-surrogate deployment. This study provides a mechanics-constrained pathway for discovering anisotropic yield functions from displacement and force data while keeping the identified component within the structure of elastoplastic stress integration.

03.
arXiv (CS.CL) 2026-06-24

CORE-BREW: LLR-Based Soft Decoding for Robust Multi-Bit LLM Watermarking

Reliable provenance for LLM outputs requires multi-bit watermarks that remain robust under editing while maintaining strict false-positive control. Existing ECC-based LLM watermarks rely largely on hard-decision decoding, discarding token-level reliability information. We propose CORE-BREW, a Constant-hit-Rate Embedding extension of block-wise BREW for robust multi-bit watermarking. CORE-BREW calibrates the watermark channel by targeting a fixed hit rate p-star, yielding closed-form per-token log-likelihood ratios (LLRs) for principled soft-decision decoding. It supports two detection modes: Strict-Safe, which preserves the bounded-distance designated-codeword acceptance region, and FPR-Calibrated, which uses likelihood-based scoring and lightweight list decoding to characterize the FPR-TPR trade-off. Experiments on open-source LLMs under token-level edits and paraphrasing demonstrate improved low-FPR discrimination and robustness over prior multi-bit watermarking baselines while maintaining comparable semantic quality.

04.
arXiv (CS.LG) 2026-06-24

GRACE: Gated Refinement for Accurate Causal Edge Discovery in High-Dimensional Time Series

arXiv:2606.23880v1 Announce Type: new Abstract: From climate teleconnections to gene regulation, modern time-series datasets encompass tens or hundreds of interacting variables, making causal discovery increasingly challenging. Constraint-based methods offer statistical rigor but their nonlinear CI tests are infeasible at scale, while score-based alternatives avoid CI testing but require arbitrary thresholds to binarize continuous edge scores. We propose GRACE ($G$ated $R$efinement for $A$ccurate $C$ausal $E$dge discovery), which refines constraint-based discovery using Hard Concrete gates with $L_0$ regularization: each candidate edge has an independent gate whose values concentrate near 0 or 1, yielding a clean bimodal separation that makes the binary decision robust, unlike the narrow, overlapping score distributions produced by $L_1$ and attention-based methods. A fast linear CI skeleton provides high-recall candidates; a single gated model then prunes false positives by learning which edges genuinely improve prediction, with automatic regularization adapted to problem dimensions and skeleton density. Systematic experiments on synthetic benchmarks, spanning diverse graph topologies (scale-free, Erdős-R'enyi, small-world) and dimensionalities up to $d=100$, show that GRACE substantially improves F1 over its base CI method while maintaining high precision, and outperforms attention-based and score-based alternatives. GRACE matches or exceeds expensive nonlinear CI tests at a fraction of the cost ($75\times$ faster). On a real-world river flow dataset, where rainfall confounders, variable propagation lags, and distributional shifts violate standard assumptions, a temporal bootstrap variant of GRACE recovers 9 of 11 causal edges along the Elbe River with only 1 false positive ($F_1 = 0.86$, AUROC${} = 0.99$), reducing the skeleton's 106 false positives by 99%.

05.
medRxiv (Medicine) 2026-06-24

A Custom Global Screening Array for Integrated Familial Hypercholesterolemia Detection and Polygenic Risk Assessment in a Multi-Ethnic New Zealand Population

Background: Cardiovascular disease (CVD) is the leading cause of mortality in New Zealand, with significant inequities affecting M[a]ori and Pacific peoples. Familial hypercholesterolaemia (FH) affects approximately 1 in 313 individuals globally, yet over 90% remain undiagnosed. Standard polygenic risk scores (PRS) derived from European cohorts may not be portable to diverse ancestries. We developed the HoloQ Omniscan Waka Te Ira, a custom Illumina Global Screening Array (GSA) v3 enriched with FH mutations, coronary artery disease (CAD) PRS markers, and network medicine-derived content. Methods: We customised the GSA v3 by adding 43,437 single nucleotide polymorphisms (SNPs) targeting FH and CAD. Content included 6,717 unique variants in primary FH genes; 14,005 pathogenic or likely pathogenic cardiovascular and pharmacogene variants; and 5,845 copy number variant probes. We further incorporated 5,232 network medicine derived CAD SNPs, 14,806 rare variants for a multiancestry PRS, and 407 globally diverse and population-specific variants. The final design comprised 47,027 target SNPs. Validation utilised large-scale genotype and whole-genome sequencing (WGS) datasets with PRS benchmarking. Results: In a large European-ancestry dataset, we observed high recovery for common PRS loci but low recovery for population-specific founder variants. The array captured 938 (84%) of all pathogenic or likely pathogenic FH variants catalogued in ClinVar, representing a 26.4% expansion beyond the standard backbone array. WGS validation identified additional carriers of rare high impact variants present only in the custom content. The selected CAD PRS model achieved an adjusted area under the receiver operating characteristic curve of 0.786. Conclusion: The HoloQ Omniscan Waka Te Ira enhances detection of clinically relevant FH variants and provides robust PRS coverage. The low recovery of population-specific alleles underscores the necessity of this custom array for equitable genomic medicine in New Zealand's multi-ethnic population.

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

Minimalist Genetic Programming

arXiv:2606.10237v2 Announce Type: replace Abstract: Genetic programming (GP) is based on two important insights. First, that any learning task can fundamentally be posed as a program induction problem, where the goal is to construct a symbolic hierarchical model that is expressed as a syntax tree. Second, to pose this task as a search problem, and use evolution to locate the desired model. Since it was proposed, GP has produced notable results in a wide range of tasks and problem domains. This work presents an alternative view by modifying the second core insight of GP, posing the problem as a syntactic derivation task instead. In particular, this paper presents Minimalist Genetic Programming (MGP), an algorithm that like GP is biologically inspired, but instead of evolution it takes inspiration from the Minimalist Program to human language, in which syntax is understood as an optimal solution to the problem of linking two other mental systems. In minimalism, the core computational process is a binary set formation operator called $MERGE$, than can be used to incrementally construct complex syntactic structures using a simple Markovian process. MGP is able to discover the core building blocks of the symbolic expressions, and to incrementally combined them using $MERGE$. The proposed system is benchmarked on symbolic regression tasks that are known to be difficult to solve with standard GP systems because of the propensity for bloat. Results show that when a proper lexicon of atomic syntactic objects are chosen, MGP is able to consistently produce the exact ground truth model on a set of symbolic regression tasks where standard GP struggles to do the same. The insights provided by minimalism are shown to be relevant to the problem of program induction, and should be explored further based on the potential exhibited by MGP in this work.

07.
arXiv (CS.CV) 2026-06-15

$\mu_0$: A Scalable 3D Interaction-Trace World Model

World models that capture how actions induce physical change enable scalable robot learning without reliance on embodiment-specific action labels. Pixel-space video models provide broad visual priors but expend model capacity on dense appearance reconstruction, while direct action models require embodiment-specific labels that hinder scalability. We present $\mu_0$, a scalable world model based on 3D traces. Rather than predicting dense pixels or directly modeling actions, $\mu_0$ forecasts smooth 3D trajectories for salient interaction points such as objects, tools, hands, and contact regions, yielding a compact, embodiment-agnostic motion interface. To enable training from diverse video sources, our TraceExtract system automatically extracts 3D supervision by selecting keypoints, constructing globally aligned traces, and associating motion segments with hierarchical language captions. This TraceExtract supervision pretrains $\mu_0$ by combining a pretrained vision-language backbone with a modular trace expert, which represents each query via B-spline control points and predicts future traces. Experiments show that $\mu_0$ outperforms baselines in both 2D and 3D trace prediction, including trace prediction models and tokenized VLM methods. Because $\mu_0$ is frozen and reusable, it can be paired with action experts for downstream robot embodiments. Despite action-free pretraining, the resulting trace-conditioned policies achieve performance competitive with VLA models pretrained with action supervision, such as $\pi_0$. These results establish 3D traces as a scalable and transferable representation for cross-embodiment manipulation.

08.
arXiv (quant-ph) 2026-06-16

Instrument-based quantum resources: quantification, hierarchies and towards constructing resource theories

arXiv:2508.09134v3 Announce Type: replace Abstract: Quantum resources are certain features of the quantum world that provide advantages in certain information-theoretic, thermodynamic, or other useful operational tasks that are outside the realm of what classical theories can achieve. Quantum resource theories provide us with an elegant framework for studying these resources quantitatively and rigorously. While numerous state-based quantum resource theories have already been investigated, and to some extent, measurement-based resource theories have also been explored, instrument-based resource theories remain largely unexplored, with only a few notable exceptions. As quantum instruments are devices that provide both the classical outcomes of induced measurements and the post-measurement quantum states, they are quite important, especially for scenarios where multiple parties sequentially act on a quantum system. In this work, we study several instrument-based resource theories, namely (1) the resource theory of information preservability, (2) the resource theory of (strong) entanglement preservability, (3) the resource theory of (strong) incompatibility preservability, (4) the resource theory of traditional incompatibility, and (5) the resource theory of parallel incompatibility. Furthermore, we outline the hierarchies of these instrument-based resources and provide measures to quantify them. We then also established a relationship between our resource measure and the advantage in an information-theoretic task. In short, we provide a detailed framework for a wide variety of instrument-based quantum resource theories.

09.
PLOS Medicine 2026-06-02

Prognostic value of cervical length for spontaneous preterm birth in asymptomatic women with singleton pregnancy: An individual participant data meta-analysis

作者:

by Kelly Hughes, David Nguyen, Mason Aberoumand, Heather Ford, Erin Clarke, Nuria Banos Lopez, Margaret Dziadosz, Richard Fischer, Renato T. Souza, Jose Guilherme Cecatti, Kelly Orzechowski, Courtney Olson-Chen, Alberto Borges Peixoto, Vorapong Phupong, Joshua Rosenbloom, Moeun Son, Athena Souka, Liu Du, Michael Sean Esplin, Roberta Granese, Simi Gupta, Brenda Kazemier, Lindsay Kindinger, Pihla Kuusela, Jeanine Van der Ven, Omer Weitzner, Evelyn Minis, Alba Farras Llobet, Heather Frey, Rashmi Bagga, Siddhidatri Mishra, Elizabeth Patberg, Philip Bennett, Megan Hall, Andrew Shennan, Shaun Brennecke, Shakila Thangaratinam, Anna Lene Seidler, Ben Willem Mol, Rui Wang Background Spontaneous preterm birth (SPTB) is the leading cause of perinatal and early childhood mortality worldwide. Studies have generally suggested that mid-trimester transvaginal sonographic cervical length

10.
arXiv (CS.AI) 2026-06-12

APCyc: Property-Informed Design of Cyclic Peptides via Automated Cyclization

arXiv:2606.12991v1 Announce Type: new Abstract: Cyclic peptides represent a promising class of therapeutic compounds in modern drug discovery, often offering improved stability and binding affinity. However, the de novo design of cyclic peptides remains challenging because methods must identify pocket-adaptive cyclization patterns and linkage sites while simultaneously controlling drug-relevant properties. This challenge is particularly pronounced for recent generative models trained predominantly on linear peptide data, which may fail to capture cyclization-specific constraints. To address the limitation, we introduce APCyc, a target-aware de novo cyclic peptide generation framework that explicitly models cyclization and jointly optimizes multiple essential physicochemical properties. By using an expanded residue vocabulary and explicitly encoding cyclization-site and linkage-type information, APCyc learns cyclization-aware representations and leverages Bayesian posterior guidance to steer sampling toward cyclic peptides satisfying multiple property objectives. Experimental results demonstrate that our model learns target-dependent cyclization preferences, and enables effective and controllable multi-property optimization for cyclic peptide design. The source code of this paper is available at https://github.com/HKUSTGZ-ML4Health-Lab/APCyc.

12.
arXiv (CS.AI) 2026-06-11

Automated Mediator for Human Negotiation: Pre-Mediation via a Structured LLM Pipeline

arXiv:2606.11379v1 Announce Type: new Abstract: Pre-mediation, the preparatory phase preceding direct human negotiation, plays a critical role in achieving mutually beneficial agreements, yet is often omitted due to cost, time, and limited access to trained mediators. We introduce an automated mediator for human negotiation, implemented as a structured pipeline of LLM modules, that supports pre-mediation in integrative negotiation settings. The pipeline decomposes preparation into specialized modules for dialogue, preference prediction, response-level critique, and structured summarization, separating inference, generation, and evaluation to address limitations of monolithic single-prompt approaches. We use the term "agent" for each module following common LLM-systems terminology, but the components are not autonomous and do not interact peer-to-peer; outputs are passed forward in a fixed sequence. We evaluate the system in two controlled human-subject experiments comparing AI-based pre-mediation with professional human mediators in a multi-issue negotiation scenario. On short-term self-reported measures, the automated mediator achieves preparation outcomes broadly comparable to human mediators, including trust in the mediator and confidence in reaching mutually beneficial agreements, while achieving substantially lower error on the preference-inference task under our scenario and prompts (36% lower RMSE). A second study shows that targeted prompt refinements reduce excessive affirmation patterns from 36.6% to 16.8%, matching human mediator baselines. Our findings suggest that structured LLM pipelines can provide scalable, low-effort pre-mediation support broadly comparable to human mediators on short-term self-reported preparation outcomes. The pipeline's single-party design mirrors how human mediators run pre-mediation today and enables parallel deployment across all parties to a dispute, supporting scalability.

13.
medRxiv (Medicine) 2026-06-22

Characteristics and Outcomes of Gene-Elusive Dilated Cardiomyopathy

Background and Aims Genetic testing in dilated cardiomyopathy (DCM) guides risk stratification and family screening. Likely pathogenic or pathogenic (LP/P) variants are identified in approximately one-third of patients, leaving many without a genetic diagnosis. Cohort studies suggest that "gene-elusive" patients have a lower risk of adverse events. This study aims to better characterise this group and identify factors associated with adverse outcomes. Methods Consecutive and unrelated DCM patients undergoing genetic testing and returning no LP/P variants were retrospectively recruited and compared to two control cohorts of DCM patients carrying LP/P variants in LMNA and TTN for a primary composite endpoint of end-stage heart failure (ESHF) or malignant ventricular arrhythmia (MVA). Results Among patients without prior MVA, the composite endpoint occurred in 36/423 (8.5%) gene-elusive, 14/39 (35.9%) LMNA and 11/100 (11%) TTN cardiomyopathy patients (log-rank p

15.
arXiv (CS.AI) 2026-06-16

AC-ODM: Actor–Critic Online Data Mixing for Sample-Efficient LLM Pretraining

arXiv:2505.23878v2 Announce Type: replace-cross Abstract: Optimizing pretraining data composition is pivotal for LLM generalization. While dynamic mixing outperforms static strategies by capturing evolving training dynamics, current methods fail to reconcile computational efficiency with sample efficiency and structural flexibility for diverse pipelines.We introduce Actor–Critic Online Data Mixing (AC-ODM), which approaches data mixing from a reinforcement learning perspective with a parameterized policy that we theoretically prove to act as a dynamic linear surrogate maximizing the constructive interference of gradients. To enhance practical flexibility, AC-ODM supports two operational modes: (i) a proxy mode for fixed, pre-prepared corpora, where a policy learned on a small model is transferred to a larger target; and (ii) a non-proxy mode for direct end-to-end training from scratch without priors. Empirically, AC-ODM significantly outperforms prior methods in convergence speed and downstream accuracy across various architectures. On Pythia-1B, it reaches optimal validation perplexity using up to 66% fewer training steps than competitive baselines, delivering a 27.5% relative improvement in MMLU accuracy and a 2.23 x higher pass@1 on HumanEval, all while incurring a virtually negligible (0.4%) per-step wall-clock increase and only 2% additional memory overhead. Code is available at https://github.com/DANG-ai/AC-ODM.

16.
arXiv (CS.CL) 2026-06-24

Same Lesson, Different Story: Cross-Lingual Reconstruction of Cultural Narratives in Large Language Models

The evaluation of cultural grounding context becomes complex when multiple cultures convey the same moral lesson. This challenge is particularly relevant to large language models (LLMs), which produce narratives across a wide range of languages and cultural contexts. However, it remains uncertain whether these models preserve culturally grounded meaning when equivalent moral lessons are conveyed through distinct cultural forms. This study introduces a multilingual evaluation narrative framework that integrates a cross-linguistic collection of 414 proverbs spanning 15 languages and uses four LLMs to generate 13k narratives. By employing semantically equivalent proverbs as culturally grounded prompts, the analysis assesses whether models preserve meaning across languages, how cross-lingual conditioning influences narrative realization, and whether different model families converge on similar interpretations. Results indicate that cross-lingual prompting largely preserves proverb-level semantic meaning while systematically redistributing agency, social positioning, and narrative structure. Additionally, strong inter-model convergence is observed in both monolingual and cross-lingual settings, suggesting that multilingual LLMs rely on shared semantic abstractions despite architectural and linguistic differences. These findings shed light on the need for more comprehensive evaluations of cultural grounding. Relying exclusively on semantic similarity in multilingual narrative assessments may overestimate cultural preservation by neglecting culturally meaningful variations in narrative expression.

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

AI Adoption Across a Multinational Workforce: Sociotechnical Conditions for GenAI Acceptance in Human Resources

arXiv:2606.17887v1 Announce Type: cross Abstract: Generative AI (GenAI) deployment in the workplace is accelerating rapidly. Nevertheless, questions of who adopts, who benefits, and who is left behind and why are still understudied. In this paper, we investigate these dynamics in the context of a multinational tech company transitioning from a legacy Human Resources (HR) search system to a GenAI-supported system, analyzing search log data, survey data (n=25), and ten semi-structured interviews. Our findings show that adoption depended on the fit between the GenAI system's design assumptions and employees' work positionalities (role, spoken language, tenure). Further, we find that employees' trust in GenAI answers was built through source-checking, comparison among systems, and seeking input from colleagues or HR when in doubt. Our contribution is twofold. First, we provide empirical evidence of workplace GenAI adoption during a live organizational transition, showing that adoption is influenced by factors such as situational fit, search literacy, and trust calibration. It is also further shaped by knowledge conditions such as the system's content quality, employee training, and guidance. Second, we translate these findings into design considerations for inclusive deployment and adoption in high-stakes environments such as HR. We argue that organizations should design systems considering the role and context-sensitive benefits they yield to different social groups. They also need to treat the organizational knowledge infrastructure as AI infrastructure to improve the accountability and usability of GenAI systems

18.
arXiv (CS.AI) 2026-06-19

MakeupMirror: Improving Facial Attribute Preservation in Diffusion Models for Makeup Transfer

arXiv:2606.20094v1 Announce Type: cross Abstract: Makeup transfer models enable fun augmented reality (AR) experiences as well as virtual try-on (VTO) for online makeup shopping. While recent state-of-the-art diffusion based solutions such as Stable-Makeup dramatically improve the accuracy and realism of makeup transfer, they still face limitations in identity and skin color preservation, making production-level VTO for makeup shopping unrealistic. In this work, we propose MakeupMirror, a diffusion-based approach to makeup transfer that makes significant progress towards preserving facial features and skin tone. We introduce several technical innovations over Stable-Makeup: (1) integration of facial geometry conditioning with ControlNets to maintain facial fidelity; (2) region-specific makeup transfer control to enable precise makeup application across facial regions such as skin, eyes and lips; (3) skin tone-based makeup transfer modulation that prevent skin tone alteration in cross-subject transfer scenarios; and (4) integration of a Levenberg-Marquardt Langevin sampler to speed up inference while maintaining generation quality. Our experiments on CPM-Real, Makeup Wild, and (herein newly collected, more diverse) MakeupSelfies datasets show that MakeupMirror improves relative facial recognition similarity by +60%, reduces relative skin tone difference by -50% over Stable-Makeup, with a latency of 0.7s, while achieving expert acceptance rate of 94% across core facial identity preservation criteria.

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

Smarter Saboteurs, Better Fixers: Scaling & Security in Linear Multi-Agent Workflows

arXiv:2606.12709v1 Announce Type: cross Abstract: As LLM-based multi-agent systems (MAS) are deployed in the wild, the resilience of their collaboration structures against adversarial compromise becomes a critical safety concern. Attackers may leverage prompt-injection or jailbreaking to sabotage individual agents within MAS workflows, but the interaction between model scaling and system-level resilience remains poorly understood. This paper investigates how model scale affects the security of linear multi-agent workflows. Our experiments across scales of two open-weight model families on the HumanEval benchmark reveal a compliance-correction symmetry: larger models are far more likely to faithfully execute malicious instructions, with the control-to-malicious performance drop reaching 53.7pp at 27B in uncorrected pipelines. However, appending a lightweight terminal Fixer stage collapses this to 0.6pp and restores statistical parity with control-level performance, demonstrating that strictly linear collaboration structures can be viable and resilient to adversaries at this scale, and suggesting that the brittleness previously attributed to linear topology may stem from a lack of correction.

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

Why Sampling Is Not Choosing: Intentionality, Agency, and Moral Responsibility in Large Language Models

Recent advances in large language models (LLMs) have prompted claims that such systems exhibit agency or qualify as moral agents. This paper argues that these attributions are misguided. We maintain that moral responsibility requires commitment-bearing agency grounded in intrinsic intentionality and self-attributed action, and that such agency constitutes the form of free will relevant to responsibility. Although LLMs generate coherent and normatively evaluable outputs, their operation is fully characterized by probabilistic input-output mappings learned from data. Their apparent intentionality is derived rather than intrinsic, and their outputs are neither owned as commitments nor guided by reasons. Variability introduced by stochastic sampling does not amount to choice or authorship. We address objections from the intentional stance, functionalism, compatibilism, and the presence of moral reasoning in model outputs, arguing that none suffice to establish genuine agency.

21.
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.CV) 2026-06-16

Rel-Zero: Harnessing Patch-Pair Invariance for Robust Zero-Watermarking Against AI Editing

Recent advancements in diffusion-based image editing pose a significant threat to the authenticity of digital visual content. Traditional embedding-based watermarking methods often introduce perceptible perturbations to maintain robustness, inevitably compromising visual fidelity. Meanwhile, existing zero-watermarking approaches, typically relying on global image features, struggle to withstand sophisticated manipulations. In this work, we uncover a key observation: while individual image patches undergo substantial alterations during AI-based editing, the relational distance between patch pairs remains relatively invariant. Leveraging this property, we propose Relational Zero-Watermarking (Rel-Zero), a novel framework that requires no modification to the original image but derives a unique zero-watermark from these editing-invariant patch relations. By grounding the watermark in intrinsic structural consistency rather than absolute appearance, Rel-Zero provides a non-invasive yet resilient mechanism for content authentication. Extensive experiments demonstrate that Rel-Zero achieves substantially improved robustness across diverse editing models and manipulations compared to prior zero-watermarking approaches.

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

Semantic Grading of Written Answers in Low-Resource Language Bangla Using a Fine-Tuned Lightweight Language Model

Bangla is among the world's most widely spoken languages, yet it remains underserved in educational NLP research. In many remote and rural regions, access to qualified subject teachers is limited, and written answers are consequently graded largely by hand, restricting timely and consistent feedback. Automatic assessment is challenging because semantically correct responses can vary substantially in surface form. We present a bilingual (Bangla-English) evaluation system designed for low-resource educational settings that prioritizes semantic correctness over lexical overlap. Our approach fine-tunes a lightweight language model to grade each response using the question, reference answer, and student answer, producing a numeric score and concise, context-grounded feedback suitable for classroom deployment. We also construct a synthetic bilingual dataset to enable controlled training and evaluation. Across proprietary and open-source LLMs evaluated under a unified protocol, our QLoRA-tuned Qwen3-8B confirms consistent improvement by producing the most leakage-resistant feedback (RoRa = 0.819) in synthetic evaluation and the strongest agreement with human scores (rho = 0.936, MAE = 0.725) in a dedicated human study.

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

Towards Understanding The Calibration Benefits of Sharpness-Aware Minimization

arXiv:2505.23866v2 Announce Type: replace-cross Abstract: Deep neural networks have been increasingly used in safety-critical applications such as medical diagnosis and autonomous driving. However, many studies suggest that they are prone to being poorly calibrated and have a propensity for overconfidence, which may have disastrous consequences. In this paper, unlike standard training such as stochastic gradient descent, we show that the recently proposed sharpness-aware minimization (SAM) counteracts this tendency towards overconfidence. The theoretical analysis suggests that SAM allows us to learn models that are already well-calibrated by implicitly maximizing the entropy of the predictive distribution. Inspired by this finding, we further propose a variant of SAM, coined as CSAM, to ameliorate model calibration. Extensive experiments on various datasets, including ImageNet-1K, demonstrate the benefits of SAM in reducing calibration error. Meanwhile, CSAM performs even better than SAM and consistently achieves lower calibration error than other approaches