Academic Intelligence · Curated Daily

Explore the Frontier of Global Academia

AcademicHub aggregates real-time literature from top journals and preprint platforms. Build your personal research radar and let large language models compile cross-disciplinary analysis briefings automatically.

01.
arXiv (CS.CV) 2026-06-19

GenTrack2: An Improved Hybrid Approach for Multi-Object Tracking

This paper proposes a visual multi-object tracking method that jointly employs stochastic and deterministic mechanisms to ensure identifier consistency for unknown and time-varying target numbers under nonlinear dynamics. A stochastic particle filter addresses nonlinear dynamics and non-Gaussian noise, with support from particle swarm optimization (PSO) to guide particles toward state distribution modes and mitigate divergence through proposed fitness measures incorporating motion consistency, appearance similarity, and social-interaction cues with neighboring targets. Deterministic association further enforces identifier consistency via a proposed cost matrix incorporating spatial consistency between particles and current detections, detection confidences, and track penalties. Subsequently, a novel scheme is proposed for the smooth updating of target states while preserving their identities, particularly for weak tracks during interactions with other targets and prolonged occlusions. Moreover, velocity regression over past states provides trend-seed velocities, enhancing particle sampling and state updates. The proposed tracker is designed to operate flexibly for both pre-recorded videos and camera live streams, where future frames are unavailable. Experimental results confirm superior performance compared to state-of-the-art trackers. The source-code reference implementations of both the proposed method and compared-trackers are provided on GitHub: https://github.com/SDU-VelKoTek/GenTrack2

02.
arXiv (CS.CL) 2026-06-16

StagePilot: Stage-Level Planning for Long-Horizon Dialogue Simulation in Cybergrooming

Cybergrooming is an evolving threat to youth, requiring proactive educational interventions. We address this by modeling dialogue progression as a structured planning problem over stage-wise interactions. We propose StagePilot, a dialogue framework that separates stage-level planning from response generation, in which the model selects the next stage under constrained transitions and generates responses conditioned on it, enabling coherent and realistic progression. Reinforcement learning is used to learn stage-level policies from offline data, optimizing for both emotional alignment and goal-consistent progression. Our empirical experiments show that StagePilot generates more structured, coherent dialogue trajectories and reduces conversational stagnation compared to baselines; notably, the IQL+AWAC variant reaches the final stage more often while maintaining over 70% positive or neutral responses, yielding a 43% relative improvement.

03.
arXiv (quant-ph) 2026-06-16

Degeneracy Cannot Violate the Quantum Hamming Bound

arXiv:2606.15558v1 Announce Type: new Abstract: The quantum Hamming bound is the standard finite-length sphere-packing bound for exact correction of arbitrary qubit errors. Whether degeneracy can evade this bound has remained unresolved in full generality for nearly three decades: distinct correctable errors may act identically on the code space, so the usual disjoint-sphere argument breaks down. We prove that every exact binary quantum subspace code with $K>1$ obeys the bound, without assuming either nondegeneracy or additivity. Our proof turns the Li–Xing linear-programming polynomial into an exact intersection count for quaternary Hamming balls. Monotonicity in block length and in ball-center separation then reduces the problem to a local node–edge charging inequality at the shortest admissible length. Thus degeneracy can merge correctable error sectors, but cannot enlarge the finite-length binary Hamming bound.

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

Dimension-Free Convergence of Discrete Diffusion Models: Adjoint Equations Induce the Right Space

arXiv:2605.17232v2 Announce Type: replace Abstract: Discrete diffusion has become a leading framework for generative modeling in various applications including language, vision, and biology. Existing convergence theory, however, exhibits fundamental limitations. KL-based analyses diverge under singular priors such as the masked distribution, while bounds in total variation (TV) depend on the state space size $S$ and become vacuous for modern language tasks, where vocabularies contain hundreds of thousands of tokens. We develop a unified adjoint-equation-based framework that establishes dimension-free convergence guarantees in any integral probability metric (IPM). To the best of our knowledge, our bounds are the first to be entirely free of $S$ and applicable to both masked and uniform priors. Importantly, our theory relies only on a single standard rate-matrix regularity assumption and applies to general priors. Five novel techniques drive our improvements: working in the space of observables via adjoint equations rather than directly with probability measures, a regularity analysis that yields bounds on any IPM, a coupling argument that removes $S$-dependence under uniform transitions, and score-marginal cancellation and exit-routing techniques that remove $S$-dependence under masked transitions. Our framework thus sharply departs from prior analyses and avoids the shortcomings of pathspace-KL and existing TV-based approaches. Beyond convergence bounds, our framework provides a versatile toolkit for further theoretical study of discrete diffusion models, including principled choices of loss functions and dimension-free step complexity.

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

How Seemingly Inconsequential Design Choices Dictate Performance of LLMs in Pathology

General-purpose large language models (LLMs) are routinely used as baselines when evaluating specialized pathology models on whole-slide images (WSIs). Because WSIs exceed contemporary model context limits, LLM baselines routinely use small, high-magnification patches processed independently via majority voting, without systematic evaluation of seemingly inconsequential design choices such as patch size, patch count, and magnification. Generalist LLMs have consistently underperformed specialized systems, reinforcing the perception that domain-specific training or architectural adaptation is necessary for pathology tasks involving WSIs. Here, we conduct a systematic factorial analysis of four input design factors: inference mode, patch size, magnification, and patch count. We demonstrate that prior studies have overstated the gap between specialized models and general-purpose LLMs by choosing non-optimized input configurations. On the MultiPathQA benchmark, switching to a single balanced configuration (large patches at lower magnification, processed jointly) raises GPT-5 from 15.1% to 39.5% on cancer-type classification (TCGA) and from 38.1% to 62.9% on organ classification (GTEx). Per-task optimization yields further gains up to 43.9% (TCGA) and 71.6% (GTEx). The same configuration generalizes to two other models and to a fully held-out CPTAC cohort, where it improves Gemini 3 Flash by 23.4 percentage points without any task-specific tuning.

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

Efficient Stochastic Optimisation via Sequential Monte Carlo

arXiv:2601.22003v2 Announce Type: replace-cross Abstract: The problem of optimising functions with intractable gradients frequently arises in machine learning and statistics, ranging from maximum marginal likelihood estimation procedures to fine-tuning of generative models. Stochastic approximation methods for this class of problems typically require inner sampling loops to obtain (biased) stochastic gradient estimates, which rapidly becomes computationally expensive. In this work, we develop sequential Monte Carlo (SMC) samplers for optimisation of functions with intractable gradients. Our approach replaces expensive inner sampling methods with efficient SMC approximations, which can result in significant computational gains. We establish convergence results for the basic recursions defined by our methodology which SMC samplers approximate. We demonstrate the effectiveness of our approach on the reward-tuning of energy-based models within various settings.

07.
arXiv (quant-ph) 2026-06-15

All about quantum error correction: distillation, mitigation, self-correction and beyond

Authors:

arXiv:2606.14034v1 Announce Type: new Abstract: In this work, it is shown that many quantum error-manipulating techniques, such as distillation, error mitigation, and dynamical decoupling, are special cases of the most general framework for quantum error correction. This unifying perspective is achieved by extending quantum error correction to include state-adaptive and channel-adaptive settings, as well as multi-stage coding scenarios. Based on this insight, a model of self-correcting quantum memory is also proposed. This work clarifies the relationship among these techniques and illustrates, through explicit constructions, how the unified perspective can guide the design of reliable quantum information systems.

08.
arXiv (quant-ph) 2026-06-11

Measurement-Free Toric-Code Memory in Array Globally Controlled Rydberg Array

arXiv:2606.12030v1 Announce Type: new Abstract: The central prerequisite of any fault-tolerant quantum architecture is a quantum memory: a block of encoded physical qubits whose logical state is actively preserved against noise across many rounds of error correction. In neutral-atom Rydberg arrays, realizing such a memory is obstructed not by the entangling gates themselves, which are already fast and high-fidelity, but by the auxiliary operations that a conventional error-correction cycle requires: mid-circuit fluorescence measurement, inter-zone atom transport, and locally focused single-qubit addressing. Each of these introduces latency, atom loss, or optical crosstalk that exceeds the cost of the underlying gates by orders of magnitude. These costs accumulate cycle after cycle, progressively degrading the very logical information the code is meant to protect. Here we propose a protocol that stabilizes a toric-code quantum memory without moving, measuring or local addressing atoms. The key is to use a three-species Rydberg atom array for the complete stabilizer cycle, including syndrome extraction, coherent correction, and ancilla reset, under global, species-selective laser pulses. Numerical simulation of a $4 \times 4$ rotated toric code shows a longer qubit lifetime when the physical error rate is below a pseudo-threshold $p^\star \approx 0.034$. The scheme offers a concrete, hardware-efficient route to topological quantum memory in neutral-atom platforms.

09.
arXiv (CS.CV) 2026-06-17

Response-Aware Multimodal Learning for Post-Treatment Visual Acuity Forecasting

Long-term visual acuity (VA) forecasting after anti-VEGF therapy is important for counseling and follow-up planning in diabetic macular edema (DME), yet remains challenging when only early post-treatment findings are available. While prior OCT-based methods mainly focus on short-term response or single-endpoint prediction, multi-horizon VA forecasting from early longitudinal data remains insufficiently under-explored. In this study, we assembled a real-world cohort of 188 anti-VEGF–treated DME patients with paired baseline and month-1 OCT scans, along with tabular OCT-derived biomarkers and non-imaging clinical variables. Using only these early data, we formulate a multi-horizon VA forecasting problem aimed at predicting visual outcomes at 3, 6, 12, 18, and 24 months, reflecting clinically meaningful follow-up intervals. We propose ReVA, a response-aware multimodal framework that combines baseline and month-1 OCT features with tabular variables to capture disease status and early treatment response. ReVA integrates spatial OCT attention, dependency-aware tabular encoding, and cross-modal fusion to predict patient-specific long-term VA trajectories. The proposed framework achieves MAE=0.1246, RMSE=0.1621, and R^2=0.6064 for 24-month VA prediction, with consistent performance across all forecast horizons. Our findings show that incorporating early treatment-response signals enables clinically meaningful long-term visual acuity forecasting, supporting data-driven decision support for routine anti-VEGF management. Code and pretrained models will be released on https://github.com/nguyenpbui/ReVA.

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

On Pitfalls of $RemOve-And-Retrain$: Data Processing Inequality Perspective

The RemOve-And-Retrain (ROAR) benchmark is widely used to evaluate feature attribution methods, yet its validity remains underexplored from an information-theoretic perspective. We show that model- and data-agnostic post-processing of attribution maps (transformations that, by the data processing inequality, cannot add information about the decision function) can often improve ROAR scores. This means that an improved ROAR ranking is not, by itself, evidence that an attribution map carries more information about the model. We trace this failure mode to a bias toward spatially blurry masks. Experiments on CIFAR-10, SVHN, and CUB-200 show a consistent association between blurriness and ROAR performance, a pattern that also appears in the ROAD variant. We provide guidelines for more cautious removal-based benchmarking, with implications for validating mechanistic understanding of neural network internals.

11.
arXiv (CS.AI) 2026-06-16

From Detection to Recovery: Operational Analysis on LLM Pre-training with 504 GPUs

arXiv:2605.09370v5 Announce Type: replace-cross Abstract: Large-scale AI training is fundamentally a distributed systems problem, where hardware failures are routine operating conditions rather than rare exceptions, yet public operational evidence from production training clusters remains limited. This report presents an empirical analysis of a 63-node NVIDIA B200 production cluster (504 GPUs), using 55 days of Prometheus time-series data and 73 days of operational logs covering 224 multi-node training sessions. The environment is cross-organizational: five parties (SKT, Upstage, Lablup, NVIDIA Korea, VAST Data) share a unified monitoring pipeline. This enabled joint diagnosis of a 60-node-scale storage I/O bottleneck absent in 2-4-node tests, a production-scale phenomenon no single team could isolate alone. We perform three quantitative analyses yielding four findings. First, over 751 Prometheus metrics and 10 XID-identified GPU failures, no single metric is consistently dominant across failure types, motivating multi-signal detection. Second, 523 checkpoint events trace the save/load path from GPU VRAM to the NFS server: restart loading reaches 21.5% of maximum read bandwidth (700 GB/s) and save bursts 16.0% of maximum write bandwidth (250 GB/s), with NFS/RPC queueing and transport-layer backlog rising together. Third, across 224 sessions over 73 days, node exclusions concentrate so the top 3 of 63 nodes account for over 50%. Fourth, auto-retry chain analysis shows a 33.3% success rate over 12 chains (73 attempts), 2.7x the 12.5% manual rate, with a median retry interval of 11 minutes (IQR 10-11). All analyses are grounded in production infrastructure providing session-level workload management, GPU-centric scheduling, and unified observability.

12.
arXiv (quant-ph) 2026-06-16

Bright Emission from Dark Sources in Hyperbolic Media

arXiv:2606.16071v1 Announce Type: cross Abstract: Hyperbolic media enable ultra-strong light-matter interactions through their extreme field localization and small mode volumes, but low-loss realizations are fundamentally limited to the mid-infrared, owing to the long lifetimes of optical phonons in high-quality crystals. Here we show that bright emitters operating at visible or near-infrared frequencies can be used to generate radiation in this regime by inducing mid-infrared population dynamics, thereby creating a source in the hyperbolic frequency band without a corresponding dipole transition. We demonstrate that even a source with vanishing dipole and higher multipole moments - strictly non-radiating in any isotropic medium - becomes radiatively active in a hyperbolic environment. This enables visible and near-infrared control of light-matter interactions in polaritonic hyperbolic materials, establishing a new low-loss solid-state quantum optics platform.

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

Are you speaking my languages? On spoken language adherence in multimodal LLMs

While Large Language Model (LLM) based Automatic Speech Recognition (ASR) enables seamless multilingual use, models often misidentify the output language, compromising transcription fidelity and downstream application quality. To preserve flexibility and code-switching capabilities, we propose a soft prompting approach that hints at potential spoken languages without strictly constraining the output. We formally define this challenge as a lack of language adherence, introduce a novel metric to quantify violations, and evaluate three mitigation strategies: (1) zero-shot prompting for robust guidance under uncertainty, (2) supervised fine-tuning (SFT) to improve prompt adherence, and (3) Chain-of-Thought (CoT) reasoning to enforce adherence during decoding. We present a comparative analysis of these methods across multiple languages, evaluating effectiveness in reducing the language violation while maintaining overall ASR performance. Finally, we discuss trade-offs to guide strategy selection under various compute constraints.

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

High-efficiency telecom conversion of heralded atomic biphoton wavepackets

arXiv:2603.09824v2 Announce Type: replace Abstract: We demonstrate high-efficiency telecom frequency conversion of heralded atomic biphoton wavepackets using a diamond-type atomic ensemble. By placing a 2.5 MHz heralded-photon spectrum within the high-efficiency region of the converter response, we achieve a conversion efficiency of 79.4(2.6)% while maintaining strong time-resolved correlations and well-defined temporal wavepackets. For a broader 17.4 MHz input bandwidth, the conversion efficiency is reduced to about 55%, whereas the temporal waveform remains largely preserved. This behavior reflects the nearly flat central response of the converter, which mainly causes spectral-edge loss rather than temporal-mode distortion. These results identify spectral matching as an effective route to efficient and low-distortion telecom conversion of narrowband quantum light from atomic systems.

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

Select to Think: Unlocking SLM Potential with Local Sufficiency

Small language models (SLMs) offer efficient deployment, yet they often lag behind their larger counterparts (LLMs) in reasoning. Existing remedies either invoke an LLM at points of reasoning divergence, incurring substantial latency and cost, or rely on standard distillation, which is limited by the SLM's capacity to accurately mimic the LLM's complex generative distribution. We address this dilemma by identifying local sufficiency: at divergence points, the LLM's preferred token often resides within the SLM's top-K next-token predictions, even when failing to emerge as the SLM top-1 choice. We therefore propose Select to Think (S2T), which reframes the LLM's role from open-ended generation to selection among the SLM's proposals, simplifying the supervision signal to discrete candidate rankings. Leveraging this, we introduce S2T-Local, which distills the selection logic into the SLM, empowering it to perform autonomous re-ranking without inference-time LLM dependency. Empirically, a 1.5B SLM's top-8 candidates contain the 32B LLM's choice with a 95% hit rate, and S2T-Local improves the 1.5B SLM's Math Avg. over greedy decoding by 24.1% relative gain, matching the efficacy of 8-path self-consistency with single-trajectory efficiency.

17.
medRxiv (Medicine) 2026-06-15

Evaluation of AI-Generated Synthetic Data for Clinical Research in Secondary Cardiovascular Prevention among Dyslipidemia Patients

Background: Access to high-quality clinical data is essential for advancing medical research and developing effective medical statistical and Artificial Intelligence models. However, privacy regulations and logistical barriers often hinder timely access to real-world data. Synthetic data offer a promising solution, preserving the statistical characteristics of original datasets while protecting patient privacy. Objectives: This study investigates the use of synthetic data for secondary cardiovascular prevention in patients with dyslipidemia, using two real-world datasets from Centro Cardiologico Monzino. Methods: Given the high dimensionality and limited sample size of the datasets, we employed a custom generative framework based on Large Language Models (LLMs). Pre-trained LLMs were fine-tuned on original clinical records to synthesize tabular data replicating source-data distributions. Fine-tuning was performed within the Centro Cardiologico Monzino's secure infrastructure to ensure data sovereignty. We evaluate clinical utility and privacy using fidelity and privacy metrics, identifying the optimal generative model and benchmarking against traditional anonymization methods. Results: Synthetic data achieved a superior trade-off than classically anonymized datasets. Real and synthetic datasets showed strong agreement, with significant distributional differences limited to few variables. Models trained on synthetic data replicated key associations from the original dataset, including therapy modification and creatine phosphokinase as predictors of SAMS, and pharmacological intensity as the main driver of LDL-C reduction. Conclusions: Results support the feasibility of using synthetic data as a proxy for real-world datasets in exploratory analyses and model development. Despite slight attenuation of some effect sizes, preserved clinical relationships reinforce the validity of synthetic data in medical research.

18.
arXiv (quant-ph) 2026-06-11

Super-Link Fragility in Asymmetric W-Class States under Quantum Noise

arXiv:2606.12307v1 Announce Type: new Abstract: The asymmetric three-qubit W-class state $|\overline{W_3^L}\rangle$ defines an isosceles entanglement-network geometry, (a) two vertex-base (VB) links form stronger bipartite connections, (b) while the base-base (BB) link is weaker. This suggests that concentrating entanglement into a super-link may be advantageous for quantum-network tasks. Here, we show that this intuition is incomplete. We analytically compare the bipartite concurrence dynamics of the symmetric |W> state and the asymmetric $|\overline{W_3^L}\rangle$ state, which differ both in entanglement-network geometry and excitation sector under standard noise models. In the absence of noise, the concurrence hierarchy is C_{VB} > C_W > C_{BB}$. Under phase damping, this hierarchy is preserved for all noise strengths and no entanglement sudden death occurs. Under amplitude damping, however, the hierarchy is reordered. The symmetric |W> state becomes the most robust, while the base-base concurrence of $|\overline{W_3^L}\rangle$ vanishes at the finite threshold of parameter $\gamma$. We term this reordering as the Super-Link Fragility Effect. The same structural asymmetry that produces a stronger vertex-base link also makes it more vulnerable to energy dissipation when coupled with multi-excitation amplitudes. Under depolarization, the asymmetry advantage is erased, with $C_W$ and $C_{VB}$ sharing the same sudden-death threshold for some value of the parameter p, while $C_{BB}$ disappears earlier at some other value of the parameter p. The generalized amplitude damping channel continuously connects the damping-dominated regime to the pure-excitation limit, where the initial hierarchy is restored. These results show that entanglement robustness in $W$-class resources is controlled not by initial concurrence alone, but by the joint structure of entanglement-network geometry, excitation sector, and noise symmetry.

19.
arXiv (CS.CL) 2026-06-11

Automated Scoring of Arabic Text Using Large Language Models: A Literature Review

In modern educational systems, Automatic Text Scoring (ATS) plays a central role by enabling scalable and consistent evaluation of learner responses without human intervention. Recently, the increased accessibility of LLMs and Arabic-specific datasets has sparked renewed interest in this area. In this work, we investigate LLM-Based approaches for the automated evaluation of Arabic texts, focusing on both short answer grading (ASAG) and essay scoring (AES). We further introduce a structured taxonomy comprising five dimensions: application domain, feedback generation capability, LLM architecture deployed, alignment with competency referential frameworks, and prompt engineering strategy. By applying this taxonomy, we conduct a comparative analysis of existing studies, examining their methodological approaches, datasets, evaluation metrics, and reported performance. The findings highlight the need for sustained and pedagogically grounded research efforts in Arabic ATS, given its significance for improving educational quality across Arabic-speaking communities.

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

Auditing Reward Hackability in Code RL Training Environments

arXiv:2606.16062v1 Announce Type: new Abstract: We measure the rate at which code RL environments accept incorrect solutions as correct. On a 49-task sample of SWE-bench Verified, 28.5% of tasks have test suites weak enough that a Docker-verified incorrect patch passes them. On 20 R2E-Gym tasks across 6 repositories, the same pipeline at single-shot exploit generation yields 25.0%. A random-effects meta-analysis over 134 frontier model submissions to SWE-bench Verified finds, within the same human-rated difficulty stratum, model Pass@1 is +14.14 percentage points higher on flagged-hackable tasks than on robust ones (95% CI [+11.80, +16.48]; one-sided p < 10^-6; I^2 = 0%; 123 of 134 models positive). We then describe a procedure for hardening the broken tasks. An inline LLM judge with a Docker gold-sanity gate runs each generated test against the gold solution before the judge is consulted. On the 11 broken tasks in the audit, the gate flags 65 of 105 decisive LLM-generated tests as failing on the gold patch itself, a 61.9% per-augmentation defect rate the LLM judge alone misses. With diversity-biased retry, the loop converges 9 of 11 tasks to a gated upgrade.

21.
arXiv (CS.AI) 2026-06-18

RippleBench: Capturing Ripple Effects Using Existing Knowledge Repositories

arXiv:2512.04144v2 Announce Type: replace Abstract: Targeted interventions on language models, such as unlearning or model editing, aim to modify specific information, but their effects often propagate to related, unintended areas (e.g., removing virology content may degrade performance on allergies); these side-effects are commonly referred to as the ripple effect. We introduce RippleBench-Maker, an automatic pipeline that retrieves semantic neighbors of any source concept from a knowledge repository and generates multiple-choice questions at varying semantic distances. We instantiate this framework using WikiRAG, an open-source RAG system over English Wikipedia, to construct RippleBench-WMDP-Bio (584 seed topics, 352,961 questions), and evaluate eight unlearning methods on Llama3-8B-Instruct. All eight exhibit accuracy drops that are largest near the unlearned target and decay with semantic distance, each with a distinct propagation profile. We replicate these findings across Mistral-7B, Zephyr-7B, and Yi-34B; cross-model delta curves are nearly identical, suggesting ripple effects are a property of the unlearning method rather than the base model. We validate all major pipeline stages using a four-experiment Mechanical Turk study (5,200+ responses, 61 workers). We release all code, data, and infrastructure.

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

Reasoning Models Know What's Important, and Encode It in Their Activations

Language models often solve complex tasks by generating long reasoning chains, consisting of many steps with varying importance. While some steps are crucial for generating the final answer, others are removable. Determining which steps matter most, and why, remains an open question central to understanding how models process reasoning. We investigate if this question is best approached through model internals or through tokens of the reasoning chain itself. We find that model activations contain more information than tokens for identifying important reasoning steps. Crucially, by training probes on model activations to predict importance, we show that models encode an internal representation of step importance, even prior to the generation of subsequent steps. The internal representations of importance in different models yield high agreement on which steps are important. The representation is distributed across layers, and does not correlate with surface-level features, such as a step's relative position or its length. Our findings suggest that analyzing activations can reveal aspects of reasoning that surface-level approaches fundamentally miss, indicating that reasoning analyses should look into model internals.

23.
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)

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

Measurement noise limits the advantage of nonlinear models over linear models in biomedical prediction

arXiv:2606.18420v1 Announce Type: new Abstract: On biomedical tabular data, flexible models such as deep networks, gradient-boosted trees, and kernel methods are repeatedly matched or beaten by linear and logistic regression given the same features. The usual reaction is to treat this as a model-side shortfall, to be fixed with more data, a better architecture, or tuning, on the assumption that the nonlinear structure is there and the model has failed to capture it. We argue that these fixes cannot help when the binding limit is the measurement rather than the model, as it frequently is in biomedicine. Additive noise blurs the population-optimal predictor, and because blurring removes a function's fine, rapidly varying detail before its broad shape, it erases nonlinear structure faster than linear structure. A degree-$k$ interaction is attenuated by the $k$-th power of feature reliability, while the linear part is attenuated only once. At the reliabilities typical of biomedical measurement, the nonlinear advantage can vanish even when the underlying biology is strongly nonlinear, and what the noise removes cannot be recovered by a larger cohort or a more flexible model, only by better measurement. The nonlinearity is hidden, not absent, and a tie between linear and flexible models is not by itself a verdict on the biology. These pieces are classical, drawn from measurement-error statistics, psychometrics, and Gaussian analysis, and we assemble them into an exact excess-risk identity. Measurement reliability is one of three conditions, alongside sample size and feature representation, that must align for a flexible model to help, and together they leave only a narrow window that most biomedical tasks fall outside. Across 140 UK Biobank tasks, the gap between flexible and linear models, where it exists, carries the predicted noise signature, and the three conditions can be separated by intervention but not by a benchmark alone.

25.
arXiv (CS.AI) 2026-06-17

Surrogate Assisted Pedestrian Protection Design via a Foundation Model Orchestrated Workflow

arXiv:2606.17577v1 Announce Type: new Abstract: AI-driven engineering workflows face particular challenges in crash safety design: unlike aerodynamics, crash events involve highly nonlinear contact dynamics, material nonlinearity, and discrete state transitions that are difficult to capture with data-driven surrogate models. To the best of our knowledge, we present the first foundation model–orchestrated workflow for crash safety design that enables surrogate-assisted exploration for pedestrian protection, reducing evaluation time from hours per CAE simulation to seconds. The workflow integrates four components: (1) a surrogate trained on CAE crash simulations to predict pedestrian leg injury metrics from design parameters, achieving an average $R^2=0.87$ and providing distribution-free conformal prediction intervals; (2) multiobjective evolutionary search (NSGA-II) to discover diverse feasible parameter sets under user-specified constraints; (3) a morphing-based geometry generator that maps parameters to topology-preserving 3D shapes; and (4) a natural-language interface in which an LLM orchestrates the workflow and a vision–language model supports semantic comparison of generated designs. In an automotive front-bumper case study, the workflow produces 35 distinct safety-compliant alternatives from a single exploration, a process that would require weeks with conventional CAE iteration. These results suggest that foundation models can serve as integration layers between ML surrogates and physics-based simulation, helping bring AI capabilities to safety-critical engineering domains.