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

Dustin: Draft-Augmented Sparse Verification for Efficient Long-Context Generation with Speculative Decoding

While speculative decoding improves inference throughput for multi-batch long-context Large Language Models (LLMs), its efficiency is often limited by a verification bottleneck where Key-Value (KV) cache loading dominates latency. Existing compression methods fail in this regime: static eviction incurs accuracy loss due to saliency shift, while dynamic selection introduces prohibitive computational overhead during the verification path. We propose Dustin, a sparse verification framework designed for long-context speculative decoding. Dustin integrates lookahead signals from the draft model with historical attention from the target model to identify critical tokens with high fidelity across multi-step verification windows. To reduce recomputation latency, this approach further employs a sparse estimation scheme that restricts importance scoring to a minimal subset of attention heads. Evaluations on PG-19 and LongBench with Qwen2.5-72B demonstrate that Dustin achieves a 27.85x speedup in self-attention and a 9.17x end-to-end decoding speedup at a 32k sequence length, all with negligible accuracy degradation.

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

RelayFormer: A Unified Local-Global Attention Framework for Scalable Image and Video Manipulation Localization

Visual manipulation localization (VML) aims to identify tampered regions in images and videos, a task that has become increasingly challenging with the rise of advanced editing tools. Existing methods face two central issues. The first is resolution diversity. Resizing or padding can distort subtle forensic cues and introduce unnecessary computational cost. The second is the difficulty of extending spatial models for images to spatio-temporal inputs in videos, which often results in maintaining separate architectures for the two data types. To address these challenges, we propose RelayFormer, a unified framework that adapts to varying resolutions and naturally handles both static and temporal visual data. RelayFormer partitions inputs into fixed-size sub-images and introduces Global Local Relay (GLR) tokens that propagate structured context through a relay-based attention mechanism. This design enables efficient exchange of global cues, such as semantic or temporal consistency, while preserving fine-grained manipulation artifacts. Unlike prior approaches that depend on uniform resizing or sparse attention, RelayFormer scales to variable resolutions and video sequences with minimal overhead. Experiments across diverse benchmarks demonstrate superior performance and strong efficiency, combining resolution adaptivity without interpolation or excessive padding, unified processing for images and videos, and a favorable balance between accuracy and computational cost. Code is available at~\href{https://github.com/WenOOI/RelayFormer}{https://github.com/WenOOI/RelayFormer}.

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

A Fast and Effective Method for Euclidean Anticlustering: The Assignment-Based-Anticlustering Algorithm

arXiv:2601.06351v2 Announce Type: replace Abstract: Anticlustering is an NP-hard combinatorial optimization problem that consists of partitioning a set of objects into equal-sized groups called anticlusters such that the objects in the same anticluster are as dissimilar as possible and thereby representative of the entire set of objects. Here we study the case where the dissimilarity metric is the squared Euclidean distance between the respective feature vectors. Applications of Euclidean anticlustering include social studies, cross-validation, creating mini-batches for stochastic gradient descent, and finding balanced K-cut partitions. In particular, machine-learning applications such as mini-batch generation involve million-scale datasets and very large values of K, making scalable anticlustering algorithms essential. We propose a new algorithm, the Assignment-Based Anticlustering (ABA) algorithm, that scales to instances with millions of objects and hundreds of thousands of anticlusters within seconds to minutes, which is far beyond what existing anticlustering methods can manage. We demonstrate here, via an extensive computational study, that our algorithm outperforms existing anticlustering methods in both solution quality and running time. This is so also for anticlustering with categories. For the related problem of balanced K-cut partitioning, our algorithm is superior to the well-known METIS method. The code of our algorithm is available on GitHub.

04.
arXiv (CS.AI) 2026-06-16

ArtBoost: Synthetic Articulatory Data Augmentation for Acoustic-to-Articulatory Inversion

arXiv:2606.16327v1 Announce Type: cross Abstract: Recent acoustic-to-articulatory inversion (AAI) models rely on electromagnetic articulography (EMA) data, which are costly and limited in scale. To address this limitation, we propose ArtBoost, a novel data augmentation strategy that leverages large-scale speech–mesh datasets originally developed for speech-driven 3D facial animation to improve AAI under limited EMA supervision. ArtBoost extracts pseudo articulatory trajectories from visible facial anchors and uses them for pre-training before fine-tuning on real EMA data. Experiments show consistent improvements in PCC and RMSE. Trajectory analyses confirm that the pseudo articulatory signals reflect physically meaningful visible articulatory dynamics. Additional evaluations across different AAI architectures demonstrate stable performance gains, indicating that ArtBoost can be integrated into diverse AAI models. These results suggest that speech–mesh data provide an effective and scalable source of articulatory supervision for AAI. Project page: https://cau-irislab.github.io/Interspeech26-ArtBoost/

05.
arXiv (CS.CL) 2026-06-11

Benchmarking Large Language Models for Safety Data Extraction

Accurate extraction of structured information from Safety Data Sheets (SDS) remains challenging in industrial safety due to heterogeneous document formats and the limitations of traditional rule-based methods. This study benchmarks state-of-the-art Large Language Models (LLMs) for automated SDS data extraction, comparing text-based and multimodal processing pipelines. We systematically evaluate four models: Gemini 1.5 Pro, GPT-4o, Claude 3.7 Sonnet, and Llama 3.1-70B, across three prompting strategies: zero-shot, few-shot, and chain-of-thought. The evaluation framework assessed accuracy, latency, and cost across more than 50,000 extracted data fields. Results show that text-based extraction consistently outperforms multimodal processing across all metrics. Gemini 1.5 Pro combined with a Chain-of-Thought prompt achieved the highest accuracy (84%), outperforming GPT-4o (81%) and Claude 3.7 Sonnet (79%). However, no model surpassed the 90% accuracy threshold commonly required for reliable real-world deployment. These findings indicate that general-purpose LLMs are not yet robust enough for unsupervised industrial use, though performance suggests strong potential with task-specific fine-tuning. Future research should focus on domain-adapted training, model calibration, and the integration of Human-in-the-Loop verification to ensure safety-critical reliability.

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

The Culture Funnel: You Can't Align What isn't in the Data

Current cultural alignment approaches focus on inference-time interventions, assuming models already contain sufficient cultural knowledge. We argue modern LLM pipelines suffer from a cultural data funnel. Using a multidimensional tagging framework across pretraining, fine-tuning, alignment, and reasoning datasets, we show explicit cultural signals decline sharply during post-training, while geographically concentrated, task-specialized data dominates. Multilinguality enhances geographic diversity of cultural knowledge but does not ensure balanced representation. Our tags improve downstream cultural benchmark performance, demonstrating that advances require shifting focus in training data pipelines. To facilitate future research, we release our culturally tagged dataset with 5.6M samples at https://huggingface.co/datasets/CohereLabs/CultureMarkers.

07.
arXiv (quant-ph) 2026-06-25

Distillation of supersinglet states

arXiv:2509.20962v2 Announce Type: replace Abstract: We introduce an entanglement distillation (purification) protocol for supersinglet states composed of N qubits. The supersinglet state we target is a total spin zero state with zero spin variance, and has a fully entangled structure involving all qubits. In our distillation protocol, three copies of an initial spin zero state are measured in the local total spin basis such that a higher fidelity supersinglet state is generated upon postselection. The initial state can be prepared using conventional Bell state distillation methods distributed in a way to target the supersinglet symmetries. The protocol uses only local operations and classical communications, and is suitable for long-distance applications such as quantum clock synchronization and cryptography, and avoids a high dimensional Schur transform such that it can be used for tasks such as quantum metrology.

08.
arXiv (quant-ph) 2026-06-12

Roto-Reflection Geometry of Pure Two-Qubit Entanglement

arXiv:2606.12637v1 Announce Type: new Abstract: Pure two-qubit entanglement is usually characterized by scalar quantities such as concurrence. Here we show that it also has a natural geometric form. In the Pauli correlation tensor, maximally entangled states appear as improper orthogonal maps between two local Bloch spheres. These maps are roto-reflections. For partially entangled pure states, the same roto-reflection geometry is recovered after separating the contraction associated with concurrence. We call the corresponding geometric object the Entanglement Roto-Reflection Plane (ERRP). It organizes the maximally correlated directions of the two-qubit state and provides a covariant geometric complement to the scalar magnitude of entanglement.

09.
arXiv (math.PR) 2026-06-11

Martingale Solutions to a Stochastic Keller-Segel System with nonlocal Source and Super-linear Noise

arXiv:2606.11774v1 Announce Type: new Abstract: Global nonnegative martingale solutions are shown to exist for a stochastic Keller-Segel system with a nonlocal Fisher-KPP source and super-linear multiplicative noise. The result is obtained for nonnegative initial data with no smallness assumption, provided that the nonlocal source term is dominant. The main difficulty stems from the absence of a coercive structure and the super-linear nature of the noise. An additional cut-off with finite L^2 norm in the classical Galerkin method is added to establish a well-posed approximation problem. Moreover, due to the nonlocal Fisher-KPP structure, it is necessary to prove the positivity of the approximating solution in order to obtain uniform estimates. In the compactness arguments, the usual tightness argument in the framework of Hilbert spaces cannot be directly applied to the uniform estimates obtained in this paper. As a result, we develop a more general version of the compactness argument and tightness criterion, presented in the appendix, which will be applied throughout the paper. This allows for the global existence of nonnegative martingale solutions to be derived from Jakubowski's version of the Skorokhod Theorem, along with a thorough discussion of the convergence properties.

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

Hitting a Moving Target: Test-Time Adaptation for AI Text Detection under Continual Distribution Shift

Deployed approaches for AI text detection often rely on training-time access to labeled datasets of both human-written and AI-generated text. This approach is vulnerable to three types of distribution shifts that occur continually post-deployment, and for which labeled data is often unavailable: adversarial humanization, new LLMs being released, and temporal drift in human writing. Simultaneously, existing approaches do not leverage a key signal of LLM usage: inference-time homogeneity. We propose a test-time adaptation (TTA) approach, using semi-supervised learning, that adapts to distribution shifts by leveraging homogeneity among unlabeled samples observed at inference time. Empirically, we find that state-of-the-art supervised detectors systematically fail when they encounter distribution shifts in AI-generated and human writing, both adversarial and natural, while test-time adaptation with semi-supervised learning is largely robust; e.g., the commercial model Pangram detects just 24.1% of our adversarial AI-generated text, compared to 90.5% for our test-time approach. We establish that test-time adaptation is a promising framework for AI text detection in the wild. We publicly release our code (which includes code for model training, evaluation, and plots) at https://github.com/kkr36/llm_detection.

11.
arXiv (quant-ph) 2026-06-15

Quantum sensing through bosonic-fermionic Bell-state transitions in two-photon interference

arXiv:2606.14408v1 Announce Type: new Abstract: Hong-Ou-Mandel (HOM) interference has become a central resource for quantum sensing and metrology owing to its sensitivity to temporal delay and photon indistinguishability. However, existing HOM-based sensing schemes generally rely on inserting a sample into one arm of the interferometer, making the measurement vulnerable to optical loss, alignment instability, and bandwidth-dependent distortion of the interference profile. Here, we demonstrate a symmetry-controlled quantum sensing scheme based on continuous transitions between symmetric (bosonic-like) and antisymmetric (fermionic-like) Bell states in two-photon interference. By imprinting a geometric phase onto the classical pump beam and transferring it to polarization-entangled photons generated via spontaneous parametric down-conversion, we coherently tune the exchange symmetry of the entangled state without altering the temporal or spectral indistinguishability of the photons. The HOM response evolves continuously from bunching to antibunching with a sine square phase dependence, producing a coincidence modulation of approximately 10 * 10^4 counts s^-1 counts/s. In contrast to conventional HOM sensing, the phase-modulation linewidth remains fixed at pi/2, independent of photon bandwidth. Using a birefringent crystal placed directly in the pump beam, we measure thermo-dispersive birefringence with a resolution of the order of 10^{-6} over a broad temperature range. Our results establish exchange symmetry as a controllable resource for robust quantum sensing and symmetry-engineered photonic quantum information processing.

12.
bioRxiv (Bioinfo) 2026-06-20

Systematic Evaluation of Feature Representations for Cancer-Associated sORF Prediction in Non-coding RNA

Short open reading frames (sORFs) within non-coding RNAs (ncRNAs) have arisen as a hidden layer of gene regulation, encoding small peptides that represent a new class of cancer regulators with diagnostic and therapeutic potential. However, inferring associations between sORFs to specific cancer types remains challenging and requires computational approaches for accurate prediction. Recently, the CoraL framework introduced the first computational approach for predicting cancer-associated peptides, focusing primarily on model architecture while overlooking how feature extraction strategies influence predictive accuracy. We present a systematic evaluation of machine learning models and feature extraction approaches to predict cancer-associated sORFs across 15 cancer types. We benchmarked seven traditional machine learning algorithms combined with three feature extraction methods: k-mer frequency, Word2Vec embeddings, and genomic language model (gLM)-based embeddings. To our knowledge, this is the first study applying gLM-derived embeddings to the prediction of cancer-associated sORFs in ncRNA. Our results show that traditional machine learning models with appropriate feature extraction outperform the CoraL baseline across all cancer types, achieving up to 10% higher accuracy in some of the 15 evaluated datasets. Interestingly, k-mer features consistently outperformed gLM embeddings without fine-tuning, suggesting that local sequence composition may provide more discriminative information for this task and that pre-trained genomic representations may require task-specific adaptation to fully capture these patterns. Additionally, we observed that the way sequences are tokenized, such as the k-mer length, can affect performance: longer fragments (e.g., k=7) sometimes reduced accuracy for Random Forest but had a smaller effect on MLP. Our findings suggest that appropriate feature engineering can provide greater improvements than increasing model complexity.

13.
arXiv (CS.AI) 2026-06-25

TokenMinds: Pretrained User Tokens and Embeddings for User Understanding in Large Recommender Systems

arXiv:2606.25147v1 Announce Type: cross Abstract: User modeling in industrial recommender systems typically produces dense embeddings, which suffer from representational constraints inherent to fixed-dimensional vectors. An emerging alternative for discrete user representation – using LLMs to generate text-based user tokens – captures topical co-occurrences rather than deep sequential behavior dynamics and produces outputs that are difficult to ground to item attributes. Meanwhile, Semantic ID (SID) based item tokenization has proven effective for improving generalization in generative recommendation, yet discrete SID-based representations for users remain largely unexplored. We propose TokenMinds, an industrial-scale system that extends the PLUM framework from item retrieval to user modeling, generating both discrete SID-based user tokens and dense user embeddings via an encoder-decoder architecture adapted from pre-trained LLMs. This dual-output design provides the complementary benefits of discrete, semantically grounded user representations while maintaining compatibility with existing downstream models that rely on dense embeddings. Additionally, the shared SID vocabulary naturally extends to cross-scenario modeling: by unifying long-form and short-form video behaviors into a single model, we substantially reduce training and serving costs. We validate TokenMinds through extensive offline experiments and live launches on multiple YouTube surfaces, served on full user traffic (billions of users) via an asynchronous infrastructure that decouples representation generation from downstream scoring. Focusing on ranking as the primary downstream use case, our results confirm the practical viability of SID-based user tokens at industrial scale and demonstrate that tokens and dense embeddings provide complementary value across different production ranking systems.

14.
arXiv (quant-ph) 2026-06-17

Intrinsic Pointer Basis and Irreversible Classicality from Coherence Contraction

arXiv:2604.23304v4 Announce Type: replace Abstract: This work analyzes an operational route to classical behavior for reduced quantum states using the intrinsic reference basis (IRB). Relative to a fixed physical conjugation, the IRB separates intrinsic populations from a real antisymmetric cohesion sector. A globally bounded cohesion index is defined and its exponential contraction is proved for phase-free dephasing dynamics aligned with the IRB; for general aligned dephasing, the corresponding modulus-based coherence functional contracts at the same computable rates. The results provide distance bounds to the IRB-diagonal description and a logarithmic upper bound on the time required to reach a prescribed experimental tolerance. The IRB projectors constitute state-derived candidate pointer sectors, and they become dynamically stable pointer sectors when the effective dephasing generator is aligned with them and damps the relevant inter-sector coherences. Degenerate population sectors lead naturally to block-classicality and protected intra-block coherence. In a two-level active sector, the cohesion index equals fringe visibility, giving a direct interferometric test of the contraction law. The construction is independent of any spacetime- or unification-emergence hypothesis and is intended as a channel-level complement to environment-induced einselection.

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

Extrema of microscopically slowed-down Gaussian fields

作者:

arXiv:2606.19207v1 Announce Type: new Abstract: We introduce a family of Gaussian fields whose covariance structure exhibits an inhomogeneous, microscopic slowdown and it interpolates between a $\log$ profile (for a certain interpolation parameter $\alpha=0$) and a $\log\log$ profile (when the interpolation parameter is $\alpha=1/2$). We consider both one dimensional such objects (which we call {\it Branching Brownian Motions in a cooling environment}) as well as higher dimensional, spatial fields. We identify the correct centering of the maximum at time $T$ and prove tightness of the recentered maximum. While the exponent in the first-order growth varies linearly with $\alpha$, giving a leading order of $T^{1-\alpha}$, the second-order correction exhibits a phase transition at $\alpha=1/3$.

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

TMASC: Transmasculine Attitude and Speech Corpus

作者:

We introduce the Transmasculine Attitudes and Speech Corpus (TMASC), a multimodal corpus of 196 transmasculine individuals, including questionnaire responses and 66 audio recordings. The questionnaire includes items exploring the vocal health of transmasculine individuals. The audio recordings include cough and throat-clearing samples, a reading passage, and additional session-specific questions. This paper outlines the development of this corpus and the data collection procedures. To illustrate the utility of this corpus, we present three case studies demonstrating how this crowd-sourced multimodal corpus can be used to support transmasculine individuals. These include the integration of perceptual and acoustic data, the identification of group-level characteristics, and the calibration of acoustic measurements.

17.
medRxiv (Medicine) 2026-06-17

Proteomics Uncovers Cryptic JPH2 Loss in Paediatric Dilated Cardiomyopathy

Despite recent advances in next-generation sequencing, genetic diagnostic rates for dilated cardiomyopathy (DCM) remain low. Among paediatric DCM, causes are often heritable, with a greater frequency of de novo, recessive and syndromic causes of disease. Novel diagnostic methods are therefore required to solve monogenic cases. To assess the value of proteomics as a diagnostic tool for paediatric DCM, we obtained left ventricle myocardial samples from paediatric patients undergoing heart transplantation at the Royal Children's Hospital, Melbourne. We performed genome sequencing and proteomics and leveraged this multi-omics dataset to uncover the molecular cause of disease in a gene elusive proband. The proband carried a heterozygous JPH2 frameshift variant identified on clinical exome sequencing. However, proteomic analysis showed a pronounced downregulation of JPH2, suggestive of biallelic loss-of-function. Closer inspection of the genomic data revealed a large inversion (~8.34 Mb) with a breakpoint falling within intron 5 of JPH2 that displaces the 3'UTR from the coding transcript. The two variants were confirmed to be in trans using long read DNA sequencing, consistent with a diagnosis of JPH2 autosomal recessive DCM. Finally, we applied RNA sequencing with total RNA library preparation to show that transcripts containing a 3'UTR were reduced to ~10% relative to controls. As a proof-of-principle, we present the first reported use of proteomics from explanted cardiac tissue to provide a genetic diagnosis. Our methodology has broad relevance to patients with genetically unsolved Mendelian diseases, who might undergo organ transplantation as part of clinical management.

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

CRANE: Constrained Reasoning Injection for Code Agents via Nullspace Editing

Code agents must both reason over long-horizon repository state and obey strict tool-use protocols. In paired Instruct/Thinking checkpoints, these capabilities are complementary but misaligned. The Instruct model is concise and tool-disciplined, whereas the Thinking model offers stronger planning and recovery behavior but often over-deliberates and degrades agent performance. We present CRANE (Constrained Reasoning Injection for Code Agents via Nullspace Editing), a training-free parameter-editing method that treats the Thinking-Instruct delta as a directional pool of candidate reasoning edits for the Instruct backbone. CRANE combines magnitude thresholding to denoise the delta, a Conservative Taylor Gate to retain edits that are jointly beneficial for reasoning transfer and tool-use preservation, and Graduated Sigmoidal Projection to suppress format-critical update directions. By merging paired Instruct and Thinking checkpoints, CRANE delivers strong gains over either individual model while preserving Instruct-level efficiency: on Roo-Eval it achieves pass1 of 66.2% (+19.5%) for Qwen3-30B-A3B and 81.5% (+8.7%) for Qwen3-Next-80B-A3B; on SWE-bench-Verified it resolves up to 14 additional instances at both scales (122/500 and 180/500); and on Terminal-Bench v2 it improves pass1/pass5 by up to 2.3%/7.8%, reaching 7.6%/17.9% and 14.8%/30.3%, respectively, consistently outperforming alternative merging strategies across all three benchmarks.

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

GeoDial: A Multimodal Conversational Tutoring Dataset for Geometry Problem-Solving with Visual Tutor Turns

arXiv:2606.12419v1 Announce Type: cross Abstract: Several educational domains rely heavily on diagrams and visual cues, yet most existing tutoring datasets are limited to text-only interactions. This limits the development of AI tutors that can teach in visually grounded ways used by human instructors. Thus, we introduce GeoDial, a multimodal tutoring dataset of over 1.3K teacher-student dialogs in the domain of geometry collected from experienced math teachers, where instructional turns are explicitly grounded in diagram highlights. We propose a scalable annotation protocol that integrates dialog acts, visual highlighting, and feedback, enabling fine-grained supervision of both language and visual tutoring behavior. To illustrate the challenges posed by this setting, we fine-tune several vision-language models on GeoDial and evaluate their ability to generate tutoring utterances and diagram highlights. While supervised fine-tuning substantially improves the quality of generated dialog, it struggles to produce accurate diagram highlights, revealing a key limitation of current methods and highlighting the need for approaches that more effectively integrate visual reasoning with pedagogical interaction.

20.
arXiv (CS.AI) 2026-06-16

FragFuse: Bypassing Access Control of Large Language Model Agents via Memory-Based Query Fragmentation and Fusion

arXiv:2606.15609v1 Announce Type: cross Abstract: Large language model (LLM) agents increasingly rely on long-term memory to support complex task execution, user personalization, and domain adaptation. Meanwhile, emerging access-control mechanisms for LLM agents are being explored to block policy-violating requests and prevent misuse. We reveal a novel attack surface arising from agent memory operations: prohibited content that would trigger access control can be fragmented across interactions, stored in long-term memory in benign-appearing form, and later reconstructed through memory retrieval without appearing explicitly in the final user query. We propose FragFuse, the first attack that enables unprivileged users to bypass agent access control by exploiting this temporal channel introduced by long-term memory. FragFuse operates in three stages: (1) identifying rejection-responsive fragments via black-box adaptive querying with fragment masking; (2) injecting these fragments into memory using marker carrier queries; and (3) retrieving and fusing the stored fragments through a follow-up attack query. Although FragFuse can be instantiated manually for individual agents, we further develop a surrogate-based optimization scheme that tunes fusion instructions and marker designs, enabling automated attack generation without violating the attacker's threat-model assumptions. We evaluate FragFuse across four representative agent settings and task domains, covering three state-of-the-art agent access-control mechanisms. FragFuse achieves an average bypass success rate of 86.3% and an average end-to-end harmful task success rate of 41.1% across all settings, with only 4.4% average task-success degradation compared with configurations without access control. We also show that alternative defenses, including state-of-the-art prompt-injection detectors and perplexity detectors, do not effectively address this attack.

21.
arXiv (CS.AI) 2026-06-19

AI-enhanced tuning of quantum dot Hamiltonians toward Majorana modes

arXiv:2601.02149v4 Announce Type: replace-cross Abstract: We propose a neural network-based model capable of learning the broad landscape of working regimes in quantum dot simulators, and using this knowledge to autotune these devices - based on transport measurements - toward obtaining Majorana modes in the structure. The model is trained in an unsupervised manner on synthetic data in the form of conductance maps, using a physics-informed loss that incorporates key properties of Majorana zero modes. We show that, with appropriate training, a deep vision-transformer network can efficiently memorize relation between Hamiltonian parameters and structures on conductance maps and use it to propose parameters update for a quantum dot chain that drive the system toward topological phase. Starting from a broad range of initial detunings in parameter space, a single update step is sufficient to generate nontrivial zero modes. Moreover, by enabling an iterative tuning procedure - where the system acquires updated conductance maps at each step - we demonstrate that the method can address a much larger region of the parameter space.

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

Comprehensive pKa Data Augmentation from Limited Real Data through an Engineered Models-Quantum Framework

arXiv:2606.17077v1 Announce Type: cross Abstract: Proton dissociation constants (pKa) are critical for functional molecule discovery and molecular modeling. Building on iBonD, the largest experimental pKa database established, we and other researchers have developed several methods including machine-learning-based empirical prediction and high-accuracy energy calculations. Despite this foundation, the rapid augmentation of high-quality pKa data remains fundamentally constrained. As part of this work, we performed large-scale regression-based pKa prediction on unlabeled molecular datasets using a collection of extensively optimized machine-learning models. The results indicate that, since the feature distributions of unlabeled molecular datasets, the pKa data distribution approximates normality, with extreme scarcity of tail-region samples. Although such augmentation is highly valuable for improving overall data availability and predictive modeling, it remains insufficient for efficiently discovering molecules with broad-spectrum pKa properties. To address this, we explore the targeted generation of molecules with sparse pKa properties from the vast chemical space. Given that traditional continuous latent space VAE-RNN methods for molecular generation suffer from insufficient stability and fail to demonstrate clear advantages in complementing sparse data, we design and implement a quantum-assisted sparse-pKa molecular generation. Feasibility is validated on a simulated quantum annealer, and superior extreme-value sampling is further achieved on physical coherent Ising machines (CIMs). (to be continued)

23.
arXiv (CS.LG) 2026-06-19

Evaluating Universal Machine Learning Force Fields Against Experimental Measurements

arXiv:2508.05762v2 Announce Type: replace-cross Abstract: Universal machine learning force fields (UMLFFs) promise to revolutionize materials science by enabling rapid atomistic simulations across the periodic table. However, their evaluation has been limited to computational benchmarks that may not reflect real-world performance. We introduce UniFFBench, a comprehensive evaluation framework featuring the MinX dataset – a diverse collection of 1,500+ mineral systems spanning 85 elements, extreme thermodynamic conditions (0–5000 K, 0–1000 GPa), and structural complexity, including partial occupancy and disorder. This diversity, combined with experimental reference values for validation, enables assessment of UMLFF generalization across chemical space and conditions substantially beyond typical training scenarios. Our systematic evaluation of six state-of-the-art UMLFFs reveals a substantial ``reality gap'': models achieving impressive performance on computational benchmarks often fail when confronted with experimental complexity. Even the best-performing models exhibit higher density prediction error than the threshold required for practical applications. We observe disconnects between simulation stability and mechanical property accuracy, with prediction errors correlating with training data representation rather than the modeling method.

24.
arXiv (quant-ph) 2026-06-12

Quantum metrology via partial quantum error correction

arXiv:2605.08341v2 Announce Type: replace Abstract: We introduce a method for error-corrected quantum metrology where only partial quantum error correction (QEC) is needed to suppress local noise and maintain the probe states' super-standard-quantum-limit (super-SQL) sensing performance. This stands in contrast to the existing QEC-assisted sensing schemes in Phys. Rev. Lett. 112, 080801 (2014) and Phys. Rev. Lett. 112, 150802 (2014), where a probe state is encoded into the logical subspace of a quantum code and error correction involves measurements on all checks of the code. Here, we encode the probe states into superpositions of energetically different states of the underlying quantum code. For our probe states, error correction using a subset of checks is enough to suppress noise both before and after phase imprinting. We analyze the tradeoff in noise suppression. For noise parallel to our phase imprinter of weight $l$, we achieve a suppression of $p^\delta$ where $p$ is the noise strength and $\delta = \lfloor (l+1)/2 \rfloor$. We propose an adaptive imprinter weight increasing strategy to maintain super-SQL performance as we scale up the system. In all our examples, checks and phase imprinters are chosen to be local operators avoiding non-local connectivity.

25.
arXiv (CS.CL) 2026-06-11

Soft-Prompt Tuning for Fair and Efficient LLM Benchmark Evaluation

Benchmark scores often misrepresent a large language model's (LLM's) knowledge, because they rely, e.g., on the model's ability to follow specific formatting requirements. This especially penalizes base models that may know the correct answers but lack the ability – typically introduced in post-training – to structure them as instructed. To overcome this, we propose soft-prompt tuning, an efficient, fair, and architecture-agnostic model evaluation. By optimizing only 10 soft-prompt vectors (roughly 0.0006% parameters for a 7B model) over a short tuning period, we adapt models to specific benchmark formats, closing gaps in format-following and ensuring that underlying knowledge is accurately reflected in benchmark scores. This allows one to fairly compare different base models – trained with various pre-training recipes – on benchmarks without the need for full post-training. We evaluated soft-prompt tuning across 7 models and 7 datasets. The results show that (a) soft-prompt tuning saturates format-following within 80 steps (~640 samples) making it highly efficient, (b) soft-prompt tuning significantly outperforms zero- and few-shot prompting, surfacing base model knowledge that standard prompting misses, that (c) even post-trained models can benefit from soft-prompts to maximize format compliance, and that (d) soft-prompted base model performance predicts post-trained model rankings more reliably than zero- and few-shot baselines, offering a low-cost proxy for downstream model quality. Our contributions include (1) metrics which disentangle format-following and knowledge accuracy, (2) a fairer benchmarking protocol of LLM knowledge, and (3) a cost- and memory-effective recipe to identify optimal pre-training strategies early in LLM development.