arXiv:2607.05825v1 Announce Type: new Abstract: Background. Retinopathy of prematurity (ROP) is a preventable cause of childhood blindness, with rising burden in low- and middle-income countries where ROP-trained ophthalmologists are scarce. Plus disease, marked by retinal vessel dilation and tortuosity, triggers treatment but is subjective and variable. Automated screening could extend specialist reach, but African evidence remains limited. Methods. We analysed 121 Kenyan preterm infants, covering 237 eyes and 1,635 fundus images graded as No Plus, Pre-Plus or Plus. Vessel annotations from two graders supported segmentation training. Eleven configurations were evaluated for eye-level Plus detection using patient-grouped nested cross-validation, including image classifiers, multiple-instance learning, multi-task segmentation-classification, and segment-then-classify pipelines. Results. Vessel segmentation was feasible, achieving pooled Dice 0.533, IoU 0.368, sensitivity 0.623 and specificity 0.979 on held-out images. RGB classifiers were highly sensitive but over-referred, while segmentation-coupled models were more specific. Combining approaches improved performance: an OR-based screen achieved the highest sensitivity, an AND-based confirmation achieved the highest specificity, and a probability ensemble gave the best balanced performance, with sensitivity 0.692, specificity 0.914 and balanced accuracy 0.803, outperforming the vision classifier alone. Conclusions. Classification and vessel segmentation are complementary for ROP Plus detection in Kenyan data. Classifiers support sensitive case-finding, while segmentation improves specificity and reduces over-referral. African ROP AI systems should use combined workflows and undergo prospective multi-site validation.
Science Journals
arXiv:2607.05831v1 Announce Type: new Abstract: This article presents an extension of the work performed by Liu, Baek and Susilo on withdrawable signatures to the Fiat-Shamir with aborts paradigm. We introduce an abstract construction, and provide security proofs for this proposal. As an instantiation, we provide a concrete withdrawable signature scheme based on a no-hint, full-t Dilithium-style Fiat-Shamir with aborts construction; adapting to production ML-DSA (with hints) introduces a small epsilon term.
arXiv:2606.18118v2 Announce Type: replace Abstract: The Chebfun software system is a Matlab extension essentially based on representations of (piece-wise) smooth one-variable functions by expansions in Chebyshev polynomials. One of Chebfun's attractive features is the ability to provide solutions to nonlinear boundary value problems (BVP) with accuracy close to the machine precision. This is done by the chebop class which provides automatic solutions by performing linearizations with a Newton method in function spaces of the nonlinear BVP, automatic differentiation, and using Fast Fourier Transform computations for the coefficients of the Chebyshev polynomials. A drawback of chebop automatic approach is the possible lack of convergence of the Newton method if the initial guess is not close enough to the exact solution. An explicit functional linearization done for each particular shape of the differential operator (i.e. without automatic differentiation) proves to be more robust than the chebop class and allows an enlargement of the range of convergence. Another alternative is the implicit L-scheme (quasi-Newton approach with derivatives replaced by suitable positive constants L), with a much simpler implementation and globally convergent. While chebop is the easiest way to solve the BVP, provided that it converges, the last two approaches largely overcome the convergence issues, yielding accurate solutions to a wide class of steady-state one-dimensional problems governed by Richards' equation. Chebfun2 and Chebfun3, which at the current stage cannot solve BVPs, provide efficient tools for accuracy and convergence assessments of the non-steady solutions in one or two spatial dimensions obtained by classical discretization schemes.
arXiv:2607.05132v2 Announce Type: replace Abstract: As large language models are deployed as autonomous agents that communicate intentions before acting, a critical safety question is whether agents that publicly commit to actions will honor those commitments. We place LLM agents in repeated $n$-player games with a three-stage protocol that separates private intent, public announcement, and final action, allowing us to identify whether each deviation from a stated announcement was already planned during private deliberation. Evaluating three frontier models across six games in homogeneous and heterogeneous groups over 10 rounds, we report two findings. First, when agents deviate from their announcements, the deviation is predominantly already stated in their private plan (exceeding 90% in the highest-deception conditions), yet this is not a fixed model property: the same model ranges from perfect honesty to near-total deviation across games. Second, different models interpret announcements incompatibly, some as binding commitments and others as cheap talk, producing payoff gaps that emerge in Round~0 and persist across all 10 rounds. Systems that combine models from different providers therefore cannot assume shared announcement semantics and require empirical testing of model interactions before deployment.
arXiv:2606.01256v2 Announce Type: replace-cross Abstract: This paper introduces a distribution-free framework for constructing post-detection confidence sets for changepoints after stopping a sequential change detection procedure. It is well known that conformal test martingales can be used to sequentially detect changes in distribution, but by themselves provide no inference for the time at which a proclaimed change occurred. Past work on post-detection inference requires pre- and post-change classes of distributions to be known, but this paper accomplishes localization of the changepoint without any distributional assumptions. We establish finite-sample coverage guarantees (conditional on correct detection). We provide non-asymptotic bounds on the conditional expected size of the confidence sets. Under suitable asymptotic regimes, we prove that the conditional expected size of the confidence set remains uniformly bounded and demonstrate strong empirical performance on simulated and real data. To the best of our knowledge, this is the first general distribution-free framework for sequential changepoint localization with valid post-detection coverage.
arXiv:2607.05789v1 Announce Type: new Abstract: In this work, 3D full-domain 3 nm gate-all-around field-effect transistor (GAA-FET) static random access memories (SRAMs) with various substrate isolation techniques are simulated using Technology Computer-Aided Design (TCAD). In addition to the traditional bottom dielectric isolation (BDI), which isolates the source/drain (S/D) from the substrate (dubbed SDBDI), and the punch-through stopper (PTS), a novel channel-BDI (C-BDI) is proposed, allowing S/D-to-substrate connection. The self-heating effect and radiation hardness due to various isolation techniques are studied. It is found that, firstly, the increase in self-heating due to BDI is negligible. Secondly, in the novel CBDI, even without PTS, the increase in leakage current IOFF is minimal. Thirdly, for SD-BDI with underlap (to minimize stress relaxation), while IOFF increases, the static noise margin (SNM) remains unchanged and robust against single-event upset (SEU) even if the underlap is as much as 20 nm. Finally, all structures are immune to the alpha-particle SEU, and BDI enhances the radiation hardness substantially. Moreover, radiation hardness is insensitive to BDI thickness.
arXiv:2607.05794v1 Announce Type: new Abstract: Long-term user memory is essential for personalized conversational agents, yet many memory systems still expose memory through passive retrieval interfaces, making the model a consumer of pre-selected evidence. We introduce NapMem, a framework for learning to use long-term user memory as a structured action space rather than passively retrieved context. NapMem organizes user history into a linked multi-granularity memory pyramid, where raw conversations, typed memory records, topic tracks, and user profiles are connected through provenance relations, and exposes these levels through memory tools. The agent is trained to select memory according to the query and intermediate evidence, allowing it to inspect different memory granularities before answering. Experiments on PersonaMem-v2, LongMemEval, and LoCoMo show that a NapMem agent trained with memory-tool reinforcement learning is competitive across diverse memory-intensive tasks, while evaluations on non-memory tasks suggest that the learned policy largely preserves general reasoning and tool-use abilities. Additional analyses examine storage, inference cost, tool-use behavior, and ablations over navigation, memory granularity, and RL training. Our results suggest that long-term user memory benefits from coupling structured storage with a learned policy for using memory at the appropriate granularity.
arXiv:2607.06254v1 Announce Type: new Abstract: Deepfake image detection is currently served by three fundamentally different paradigms: commercial APIs, zero-shot vision-language models (LLMs), and open-source detectors. Despite their widespread use, these paradigms are rarely evaluated under a common protocol, making direct comparison difficult. We introduce VendorBench-100, a cross-paradigm benchmark that evaluates 36 representative models using a single adversarial 100-image corpus, a unified output schema, and a common evaluation framework. To ensure reliable assessment under the corpus's intentional class imbalance, models are ranked primarily by the Matthews correlation coefficient (MCC), with ROC-AUC reported as a threshold-independent measure of ranking ability. Rather than maximizing dataset size, VendorBench-100 emphasizes challenging real-world scenarios through a curated taxonomy of eight edge-case families, including face swaps, text-to-video stills, AI photo edits, avatar compositing, opaque-provenance images, and compressed research frames. Our evaluation shows that commercial APIs achieve the strongest median performance, followed by vision LLMs and open-source detectors. However, individual open-source models remain competitive with the best vision LLMs. More importantly, we identify a consistent divergence between ranking ability (ROC-AUC) and operating-point quality (MCC), demonstrating that strong score discrimination does not necessarily produce reliable default-threshold decisions. This metric disagreement, rather than any single leaderboard ranking, is the central finding of the benchmark. We release the complete evaluation framework and benchmark results to support reproducible future research. The source code and data are available at: https://github.com/sharayu-20/vendorbench-100
arXiv:2607.05674v1 Announce Type: new Abstract: How predictable users perceive an interactive system to be shapes how they interpret, trust, and rely on it, yet HCI lacks both a precise conceptualization and a validated instrument for this perception. We address this gap by introducing perceived system predictability (PSP) as a user-centered construct grounded in uncertainty theory, distinguishing epistemic, aleatory, and effective predictability. We contribute (i) a theoretical framework that situates PSP relative to adjacent constructs such as trust and understanding, (ii) a 6-item PSP scale, derived from a 60-item pool through expert review and cognitive interviews, and validated in a shape-classifier study ($N=200$) that supports both a unidimensional and a three-factor hierarchical structure, and (iii) a sentiment-classifier study ($N=200$) that varies explanations and stochasticity, and relates PSP to the correctness of users' predictions of system behavior, trust, subjective information processing awareness, and need for cognition. We find that PSP and prediction correctness capture distinct aspects of users' mental models and that both can diverge: PSP itself predicts correctness, explanations shift PSP but not correctness, and increased stochasticity degrades correctness without lowering PSP. PSP thus goes beyond existing objective and subjective measures and offers a principled foundation for designing transparent and trustworthy interactive systems.
arXiv:2607.05871v1 Announce Type: new Abstract: Debugging exercises are often assessed from final code and test outcomes, yet these artifacts hide how students reproduced failures, formed hypotheses, inspected evidence, edited code, and verified fixes. We present DebugTracker, a Visual Studio Code extension that records lightweight debugging-process evidence for classroom tasks. DebugTracker separates uncoached Evaluation Mode traces from coached Training Mode traces, stores append-only JSONL events, and exports timeline and Markdown reports for human review. The prototype records test commands, editor and debugger metadata, student checkpoints, source snapshots, optional image evidence, human labels, and optional AI-assisted practice feedback. DebugTracker is largely language-agnostic: it captures process evidence through standard VS Code mechanisms rather than language-specific tooling, although debugger evidence depends on the relevant VS Code language extension. We validate the prototype with debugging tasks in Python, TypeScript, and Java, 16 automated checks, and an 11-case manual trial matrix spanning packaged VSIX installation and three operating systems.
arXiv:2607.05727v1 Announce Type: new Abstract: Pre-trained Vision-Language Models (VLMs) like CLIP have proven highly effective as foundation models for various downstream applications. However, prompt learning in VLMs encounters a performance-generalization dilemma: while prompts can be tuned to achieve high accuracy on seen distributions, this tuning process often undermines their generalizability to unseen data. The limited set of learnable prompts, which contextualize and condition the input to steer it toward the task within the pretrained VLM, tends to overfit the training data, leading to a trade-off between task-specific performance and preserving generalization. To address this dilemma, we introduce SAMPLe (Sharpness-Aware Minimization Prompt Learning), a plug-in sharpness-aware optimizer that enhances prompt generalizability by accounting for loss landscape sharpness. Unlike conventional methods, SAMPLe balances exploration and exploitation by satisfying objective function constraints at each step, dynamically adapting to the current optimization state based on the local curvature and gradient properties. This approach reduces overfitting on seen distributions and improves adaptability to unseen data, preserving the generalization potential of pre-trained VLM models. We integrate SAMPLe into multiple prompt learning frameworks, including CoOp, CoCoOp, MaPLe, TCP, and Co-Prompt, demonstrating its effectiveness across diverse methods. Experiments show that SAMPLe elevates prompt learning frameworks and consistently outperforms existing optimizers across diverse settings, establishing itself as a robust, model-agnostic solution for prompt learning.
arXiv:2607.05743v1 Announce Type: new Abstract: AI coding agents now read repositories, call tools, and execute shell commands with limited human oversight, and a fast-growing body of work studies whether the execution layer around them is actually safe. That literature is scattered. Papers on sandbox isolation, capability and access control, policy enforcement, time-of-check-to-time-of-use (TOCTOU) races, Model Context Protocol (MCP) threats, identity delegation, execution provenance, network egress control, and static analysis of agent-generated code are published independently and rarely cite one another. We systematize 39 papers published between 2023 and 2026 into 17 categories, each verified directly against its source. The same verification protocol also confirms four disclosed, patched CVEs directly affecting production agent harnesses. Reading across categories surfaces five cross-cutting gaps that no single paper addresses. (1) Isolation architectures and capability models are almost never evaluated against one another on a shared benchmark. (2) Policy-enforcement studies report failure rates from 69% to 98% of real denylists, yet no isolation paper re-evaluates its own defense under that adversarial setting. (3) TOCTOU and MCP threats are analyzed as separate literatures despite both being instances of the same state-validation problem. (4) Every enforcement mechanism assumes an honest policy author, leaving policy-authoring error itself unaddressed. (5) Benign but out-of-scope agent actions occurring at rates up to 17.1% under realistic prompting are addressed by no access-control or capability paper in the corpus. Existing broader surveys of agentic AI security discuss sandboxing only as one item among many defenses, leaving execution security without a dedicated systematization. This paper is written to fill that gap. We conclude with a research agenda directed at the five gaps.
arXiv:2607.05808v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly integrated into computing education, yet nearly all prior research has focused on text-based interactions. As voice-enabled interfaces become more capable and more common, there is growing interest in understanding how voice input might shape students' use of LLM-powered tools. In this exploratory study, we investigated how introductory programming students interact with Prompt Problems, which are programming tasks that require crafting natural-language prompts to generate correct code. Students (N = 919) solved a series of Prompt Problems with the freedom to select or switch between text and voice input modalities. We collected their prompt submissions as well as post-activity survey responses, then analysed differences in prompt accuracy, persistence, and perspectives by modality. For two of the three problems, we found that students who typed their prompts using text were more likely to have those prompts succeed on the first attempt than students who submitted unedited voice prompts. There was no difference in success rate if students edited their transcribed voice prompts before submission. Across the problems, we found evidence that students who tried voice prompting varied in their usage of modality - perhaps indicating a complementary, or non-preferential approach. However, most students only tried and reported preferring text. Our qualitative analysis revealed how students' perceived the roles of voice and text input in shaping their problem-solving process, as well as the reported drawbacks and advantages of each modality. We discuss implications for future multimodal tools and instructional design in computing education.
arXiv:2607.05842v1 Announce Type: new Abstract: Large language model (LLM)-assisted software security operates at a difficult boundary: the vulnerability-analysis terminology needed for legitimate code review, triage, and repair can closely resemble terminology associated with misuse. Existing safety and cybersecurity evaluations are difficult to interpret in this setting because they often compare unrelated model families, thereby conflating safety behavior with differences in architecture, scale, training data, and deployment. To isolate this factor, we study safety state: whether refusal behavior remains intact (Aligned) or has been refusal-ablated (Abliterated) within same-lineage models. We ask how this safety state affects defensive utility across software-security workflows. We compare aligned instruction-tuned models with publicly released refusal-ablated descendants from two model families, Gemma and Qwen. We evaluate Aligned and Abliterated states on vulnerability detection, CWE attribution, vulnerable-line localization, root-cause localization, and executable patch validation. We further treat prompt wording as a controlled framing dimension: prompts begin with neutral code-review language, add authorization context, and vary the density of cybersecurity terminology. In a Gemma-based Java/Vul4J repair-validation study, Abliterated achieves higher early-stage validation rates, with 67.8%, 65.0%, and 32.8% of patches judged usable, successfully applied, and successfully compiled, respectively, compared with 29.9%, 24.9%, and 9.0% for Aligned. In the Qwen pair, Abliterated improves localization performance, increasing line-level F1 from 2.08% to 3.91% and Top-1 accuracy from 4.10% to 6.95%. These findings suggest that evaluations of LLM-based security assistants should jointly measure whether models respond, whether their usable responses are correct, and whether their outputs remain actionable across the engineering workflow.
arXiv:2607.05844v1 Announce Type: new Abstract: Agent systems accumulate conflicting observations across branches, retries, and replicas, yet many practical memory layers still collapse disagreement behind overwrite rules that are difficult to inspect or correct. We present StateFuse, a conflict-aware replicated memory contract built on standard OpSet/CRDT merge. StateFuse does not introduce a new join algebra; it defines an agent-facing semantics layer with immutable history, explicit conflict objects, exact and semantic correction handles (claim_id / claim_ref), deterministic predicate contracts, and projection-time resolution that cannot rewrite replicated state. We evaluate StateFuse against flat multi-value, raw-log, provenance-style, and collapsed baselines under matched resolver and verification policies. On a 282-question official conflict-bearing MemoryAgentBench slice, the compared methods tie on answer accuracy, but conflict-preserving surfaces keep contradictions visible while collapsed surfaces do not. In a controlled agent loop with uniform verification, preserving ambiguity enables safer abstention and correction than early collapse. A correction-handle ablation further shows that semantic handles matter when exact prior identifiers are unavailable. The resulting claim is narrow: StateFuse is best supported as a safer public memory contract for contradiction surfacing, abstention, and auditable correction, not as a universal accuracy gain.
arXiv:2607.03197v2 Announce Type: replace Abstract: Research Knowledge Graphs (RKGs) enable the structured representation of scientific knowledge, but their weakly enforced schemas make them prone to inconsistencies, particularly in how predicates are defined and used. Duplicate predicates, i.e., distinct identifiers expressing the same or highly similar relationships, introduce semantic redundancy, hinder reuse, and reduce RKG quality. While prior work has addressed duplicate detection for downstream tasks such as query answering or schema alignment, predicate redundancy as a data quality challenge, remains underexplored, particularly in terms of resolution, prevention, and semi-automated curator support. In this paper, we propose a framework for managing duplicate predicates in RKGs that covers detection, resolution, and prevention. The framework combines automated similarity-based methods with human validation and is designed for integration into the lifecycle of evolving, crowdsourced RKGs. We implement the framework in the context of the Open Research Knowledge Graph (ORKG) by extending its existing curation dashboard SciKGDash with embedding-based clustering, interactive inspection, and resolution actions such as merging and deleting. We evaluate the framework on the ORKG, where clustering reveals that up to 30% of predicates are potentially redundant. The analysis also shows recurring modeling patterns that lead to predicate redundancy, user-induced duplication, inconsistent identifier usage, and a lack of standardization in predicate naming and usage. Our findings demonstrate that duplicate predicates arise from user behavior and interface design. Addressing this, requires combining automated methods with human-centered curation and preventive mechanisms. This work positions predicate redundancy as a central data quality challenge and provides a foundation for more systematic and proactive RKG curation.
arXiv:2607.02714v2 Announce Type: replace Abstract: There is no doubt that safety alignment is an essential step in LLM training. However, conceptually it does not distinguish between various domains and the level of potential harm of a query, which creates significant complications in the fields like cyber security, where a model should not be constrained by its safety circuits to accomplish the goals of legitimate, authorized operations. In this work, we share our findings from a large scale abliteration experiment on 24 open-source LLMs and show that domain-specific abliteration is achievable with standard methodology on the example of a 1T-parameter Kimi K2. Building on recent work showing that refusal in LLMs occupies a multi-dimensional subspace within layers, we find that it is also distributed widely across layers, especially in trillion-parameter MoE architectures, and so we aim to capture the part of it that represents harmful concepts in the cybersecurity domain exclusively. We also investigate the correlation between models' features and the effect of domain-specific abliteration, identifying that the type of safety training and architecture are the most reliable predictors. Finally, we classify the models into 3 abliteration susceptibility tiers and put forward a set of conjectures as to why a particular effect from this intervention might be observed in a given model.
arXiv:2607.03692v2 Announce Type: replace Abstract: Spectral methods are widely used to construct representations from the geometry of data, but they often rely on a fixed kernel, graph Laplacian, or manually selected feature scaling. We propose Physics-Informed Eigenfunction Features with Learnable Scaling (PIEFS), a supervised neural representation-learning framework with a spectral inductive bias, based on a modified Dirichlet energy. In PIEFS, scalar coordinate maps are trained under empirical Gram orthogonality, a supervised linear readout, and a Dirichlet penalty in which the input gradient is transformed by a learnable metric $A(x)=\Lambda(x)U(x)$. The diagonal factor $\Lambda(x)$ controls anisotropic scaling, while the orthogonal factor $U(x)$ is parameterized by a structured product of Givens rotations. This construction yields task-adaptive Dirichlet-regularized coordinates rather than eigenfunctions of a fixed supervision-independent operator. Experiments on synthetic, tabular, and image-based benchmarks study the effect of identity, diagonal, and rotation-scaling metrics, and compare the resulting coordinates with classical baselines and NeuralEF. The results support PIEFS as a compact supervised spectral representation method and identify optimization stability, validation on explicit operator eigenproblems, and richer metric parameterizations as the main directions for future work.
arXiv:2607.04311v2 Announce Type: replace Abstract: Subject-driven and multi-element video generation are central to controllable video synthesis, but existing methods still struggle to preserve identity consistency and model complex relationships among multiple subjects. In this paper, we propose Aura, a unified framework for high-fidelity and identity-consistent video generation. To better capture scene dynamics and subject interactions, we introduce AI director-level captions that provide dense and structured descriptions of video content. We further leverage a vision-language model (VLM) with learnable queries to extract multimodal semantic features from textual and visual references, covering both global semantics and fine-grained visual cues. To bridge the representational gap between the VLM and the Diffusion Transformer (DiT), we design a two-stage alignment strategy that progressively maps VLM features into the DiT feature space. For visual conditioning, we adopt token concatenation to inject reference information directly into the generation process. To distinguish heterogeneous subject types and reduce common copy-paste artifacts, we develop a subject-aware RoPE-Shift mechanism. To further differentiate reference images of different categories, we introduce subject-aware learnable tokens. In addition, we introduce Memory Tokens to balance the training signal across examples with different numbers of reference subjects. During inference, Progressive-APG (Adaptive Prompt Guidance) further alleviates oversaturation and improves semantic alignment with user prompts. Finally, we build a high-quality video-subject image dataset through a dedicated data construction pipeline. Extensive experiments show that our method achieves state-of-the-art performance on both single-subject generation and more challenging multi-element scenarios.
arXiv:2607.04415v2 Announce Type: replace Abstract: Graph-based approximate nearest neighbor search (ANNS) is increasingly used in vector databases and retrieval-augmented generation services, but large vector indexes often exceed the memory capacity of a single GPU server. NVMe over Fabrics (NVMe-oF) provides an attractive storage-disaggregation substrate, yet existing remote storage paths are still largely CPU-centered: the CPU forms I/O requests, drives transport progress, and determines when GPU computation can resume. This organization is poorly matched to graph ANNS, where the next data access is discovered inside GPU graph traversal. This paper presents GORIO, a system study that extends GPU-centered local I/O to remote storage and specializes the resulting substrate for graph ANNS over NVMe-oF. GORIO keeps query evolution, page-miss generation, pending-query state, and resume decisions on the GPU, while the CPU acts only as an NVMe-oF transport and completion proxy. The design has two layers: a GPU-direct remote I/O path that turns local page-cache misses into split-phase remote operations, and ANNS-specific scheduling mechanisms that overlap graph traversal with remote page service. On a SIFT1M DiskANN-style graph workload over an RDMA NVMe-oF path, GORIO is 1.31X faster than the state-of-the-art remote-I/O reference path and 4.89X faster than the direct remote page-cache path. These results demonstrate a concrete GPU-centered remote I/O substrate for graph ANNS.
arXiv:2606.25309v2 Announce Type: replace-cross Abstract: We prove a residual-work compatibility theory for positive-cone viscoelastic Reynolds states. In Oldroyd--B, the entropy cancellation eliminates incompressible transport and upper-convected stretching against polymeric stress work. After quotienting pressure tensors and spatial means, positive pressure-free residual work can be paid only by the conformation residual through the entropy-dual lever (G=I-A^{-1}). This yields the closed residual-work cone (P+(\alpha/2)\int_{\mathbb T^d}G:S,dx\le 0), exact windowed tests, and the least-cost Hilbert-space repair; constrained closures pay through the projected lever. Strong residual-data limits preserve this cone, while weak--weak limits require the product-defect measure carried by (G:S). The augmented topology is sharp, as shown by localized residual packets. For FENE-P, the lever (G_b(C)=((b-d)/(b-\operatorname{tr}C))I-C^{-1}) makes the finite-extensibility boundary a genuine residual-work boundary.
arXiv:2607.04633v2 Announce Type: replace Abstract: The rational design of ionic electrolytes for lithium-ion batteries (LIBs) is severely constrained by the vast solvent-salt combinatorial space and low efficiency of empirical trial-and-error. While molecular dynamics (MD) bridges microscopic solvation structures and macroscopic physicochemical properties, classical force fields often lack sufficient accuracy for multicomponent systems. To address these challenges, we develop an automated differentiable OPLS-AA force field parameterization workflow tailored for general ionic electrolytes. It employs topology-guided atom typification to reduce parameter redundancy and optimizes Lennard-Jones parameters via the DMFF framework, with experimental density as the fitting target and ionic conductivity as an independent validation metric. Rigorous convergence tests yield a standardized simulation protocol with $\sim$100,000-atom systems and 35-40 ns NVT runs to ensure reliable transport property quantification. High-throughput MD simulations of over 10,000 formulations spanning 67 solvents and 15 lithium salts are conducted on the Tianqiong platform, generating a comprehensive dataset covering five core properties: density, dielectric constant, viscosity, diffusion coefficient, and ionic conductivity. t-SNE visualization reveals partial clustering of distinct salt chemistries, continuous property gradients with concentration and temperature, and internal physical self-consistency, with solvent composition identified as another key performance regulator. Together, the accurate transferable force field and large-scale dataset provide a solid foundation for data-driven rational design of ionic electrolytes.
arXiv:2406.19594v3 Announce Type: replace-cross Abstract: Optimizing the interfaces in perovskite solar cells (PSCs) is essential for enhancing their performance, improving their stability, and making them commercially viable for large-scale deployment in solar energy harvesting applications. Point defects, like vacancies, have a dual role, as they can inherently provide a proper doping, but they can also reduce the collected current by trap-assisted recombination. Moreover, they can play an active role in ion migration and degradation. Using ab initio density functional theory (DFT) calculations we investigate the changes in the band alignment induced by interfacial vacancy defects in a TiO$_2$/MAPI/Cu$_2$O based PSC. Depending on the type of the vacancy (Ti, Cu, O, Pb, I) in the oxide and perovskite materials, additional doping is superimposed on the already existing background. Their effect on the performance of the PSCs becomes visible, as shown by SCAPS simulations. The most significant impact is observed for $p$ type doping of TiO$_2$ and $n$ type doping of Cu$_2$O, while the effective doping of the perovskite layer affects one of the two interfaces. We discuss these results based on modifications of the band structure near the active interfaces and provide further insights concerning the optimization of electron and hole collection.
arXiv:2412.10860v2 Announce Type: replace-cross Abstract: Quantum Support Vector Machine is a kernel-based approach to classification problems. We study the applicability of quantum kernels to financial data, specifically our self-curated Dhaka Stock Exchange (DSEx) Broad Index dataset. To the best of our knowledge, this is the first systematic study of quantum kernels applied to this dataset. Working within the empirical quantum advantage (EQA) framework of Krunic et al., we benchmark several quantum kernels against a classical RBF-kernel SVM baseline, propose the best-performing kernel for this dataset, and relate the observations to the Phase Space Terrain Ruggedness Index metric. We estimate the resources needed to carry out these investigations on a larger scale for future practitioners.
arXiv:2605.14492v3 Announce Type: replace-cross Abstract: This study provides an analytical foundation for adversarial synchronization control in Kuramoto oscillator networks, where small gradient-based perturbations applied repeatedly to oscillator phases can dramatically enhance or suppress collective synchronization. Using the Ott--Antonsen reduction, we derive an exact closed-form expression for the effect of a single adversarial perturbation (kick) on the order parameter. A key finding is that each kick produces a finite, coupling-independent increment in the order parameter even when synchronization is arbitrarily weak, which combined with slow relaxation near the critical coupling and mean-field feedback explains the disproportionate amplification previously observed in numerical simulations. Fixed-point analysis further reveals a fundamental asymmetry between enhancement and suppression, with the latter governed by noise-induced escape in finite systems. Extending the framework to networks via the annealed network approximation, we show that the theory captures the synchronization behavior of representative model networks and identify a decoupling between kick sensitivity and mean-field dominance in scale-free networks. These results offer a tractable theoretical basis for understanding and designing kick-based synchronization control in oscillator networks.