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01.
arXiv (CS.LG) 2026-06-15

On the Generalization Bounds of Symbolic Regression with Genetic Programming

arXiv:2604.17402v2 Announce Type: replace Abstract: Symbolic regression (SR) with genetic programming (GP) aims to discover interpretable mathematical expressions directly from data. Despite its strong empirical success, the theoretical understanding of why GP-based SR generalizes beyond the training data remains limited. In this work, we provide a learning-theoretic analysis of SR models represented as expression trees. We derive a generalization bound for GP-style SR under constraints on tree size, depth, and learnable constants. Our result decomposes the generalization gap into two interpretable components: a structure-selection term, reflecting the combinatorial complexity of choosing an expression-tree structure, and a constant-fitting term, capturing the complexity of optimizing numerical constants within a fixed structure. This decomposition provides a theoretical perspective on several widely used practices in GP, including parsimony pressure, depth limits, numerically stable operators, and interval arithmetic. In particular, our analysis shows how structural restrictions reduce hypothesis-class growth while stability mechanisms control the sensitivity of predictions to parameter perturbations. By linking these practical design choices to explicit complexity terms in the generalization bound, our work offers a principled explanation for commonly observed empirical behaviors in GP-based SR and contributes towards a more rigorous understanding of its generalization properties.

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

Optimal Deterministic Multicalibration and Omniprediction

arXiv:2606.20557v1 Announce Type: new Abstract: A model is multicalibrated on a collection of group weights $G$ if it is calibrated – i.e. unbiased even conditional on its prediction – not just overall, but also after reweighting contexts by each $g \in G$. It is a useful property for many downstream applications and is a basic desideratum of trustworthy machine learning. Before this work, all predictors known to attain the minimax-optimal $\widetilde O(\varepsilon^{-3})$ sample complexity rate for $\varepsilon$-multicalibration were randomized, while deterministic predictors were known only with substantially worse sample complexity. Whether randomization is necessary for optimal sample complexity in multicalibration was explicitly asked by [CLNR26] and implicitly in several prior works. We resolve this open problem by giving a minimax-optimal multicalibration algorithm that outputs a deterministic predictor. We then generalize the algorithm to produce optimal deterministic predictors that satisfy outcome indistinguishability (OI) with respect to finite or finitely covered collections of tests. As an application, this also gives deterministic omnipredictors and panpredictors with optimal sample complexity, resolving open problems posed by [OKK25] and [BHHLZ25].

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

EXPO-SQL: Execution-based Clause-level Policy Optimization for Text-to-SQL

Text-to-SQL enables users to query databases using natural language by generating executable SQL queries. Recent methods have increasingly adopted Large Language Models based reinforcement learning (RL) to leverage execution feedback for training. However, existing RL methods assign uniform query-level rewards to all clauses in a SQL query, treating correct and incorrect clauses equally. This coarse-grained reward design leads to insufficient learning signals for correct SQL generation. To address this issue, we propose EXPO-SQL (EXecution-based clause-level Policy Optimization for Text-to-SQL) which provides fine-grained supervision through clause-level rewards. To assign clause-level rewards, our method identifies erroneous clauses by analyzing execution results, including error messages and clause-wise incremental execution. Experiments on widely-used Text-to-SQL benchmarks demonstrate that EXPO-SQL significantly outperforms existing supervised fine-tuning, prompting, and RL-based methods through fine-grained clause-level learning. Our code is available at https://github. com/jhn25/EXPO-SQL.

04.
arXiv (CS.LG) 2026-06-11

Enhancing Spectral Embedding through Robust and Flexible Knowledge Transfer in Electronic Health Records

arXiv:2606.11570v1 Announce Type: cross Abstract: We propose a spectral-based, unsupervised representation learning framework to derive low-dimensional embeddings for clinical concepts and patients in rare disease cohorts from electronic health records, where data are high-dimensional but sample sizes are limited. To overcome this challenge, we incorporate a knowledge matrix extracted from a broader population that shares a partially overlapping subspace with the rare-disease cohort. Our method departs from existing approaches by relaxing restrictive one-to-one signal-alignment assumptions between the latent data matrix and knowledge matrix, allowing more flexible and realistic forms of structured sharing. We introduce a novel two-step spectral embedding procedure: first, we identify and remove irrelevant components from the knowledge matrix; then, we apply a projection-based method to separately recover shared and heterogeneous components. Simulations and an analysis of a real-world multiple sclerosis cohort show that the proposed method outperforms competing approaches, particularly in challenging scenarios where shared signals are weak and only partially aligned, as is common in rare-disease data.

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

StarOR: Synergizing Tree Search and Test-Time Reinforcement Learning for Optimization Modeling

arXiv:2606.15197v1 Announce Type: cross Abstract: Optimization modeling is inherently hierarchical, requiring a precise sequence of symbolic commitments. Traditional learning-based automated optimization modeling methods improve modeling policies through large-scale annotated or curated training data, but are costly to adapt to new problem distributions. Meanwhile, one-shot generation remains brittle in hierarchical modeling, where early symbolic errors can propagate into invalid formulations. Test-time scaling offers a promising alternative by enabling structural exploration with additional instance-level computation; however, existing search-based methods typically rely on a fixed policy, causing repeated rollouts to inherit similar modeling biases and providing limited credit assignment for intermediate decisions. To address these limitations, we propose StarOR, a synergistic search-and-adaptation framework that couples MCTS with Test-Time Reinforcement Learning for optimization modeling. StarOR decomposes the modeling process into four stages and updates a transient LoRA adapter via GRPO at each non-terminal node. By using MCTS-generated siblings as local comparison sets, StarOR transforms search-time exploration into instance-specific policy refinement. Moreover, an unsupervised multi-faceted reward system provides fine-grained feedback for intermediate formulation decisions without ground-truth labels. Experiments across five optimization benchmarks show that StarOR achieves state-of-the-art performance even with a 4B backbone, outperforming existing methods and the frontier LLMs.

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

IsabeLLM: Automated Theorem Proving Applied to Formally Verifying Consensus

arXiv:2606.18098v1 Announce Type: new Abstract: Advances in Artificial Intelligence (AI) have led AI for Theorem Proving to become a promising means of formally verifying computer systems. Whilst formal verification is traditionally reserved for safety-critical systems due to the required amount of expertise and effort, AI can help to automate a large amount of this workload and make it far more accessible. Blockchain-based systems are becoming increasingly popular and are frequently targeted by malicious actors, often resulting in huge financial losses, highlighting the need to better verify these systems and mitigate vulnerabilities. Arguably the most important component of these systems is the consensus protocol, which allows nodes to agree on decisions in a potentially adversarial environment. In this paper, we improve upon IsabeLLM, the automated theorem proving tool in Isabelle. Namely, we implement a Retrieval-Augmented Generation framework, Error tracing and counterexample generation for improved context supplied to the Large Language Model. Compatibility with the latest version of Isabelle and Sledgehammer is also implemented for improved efficiency. We compare the performance of the two versions of IsabeLLM in their ability to complete the verification of Bitcoin's Proof of Work consensus.

07.
arXiv (CS.CV) 2026-06-11

Atlas H&E-TME: Scalable AI-Based Tissue Profiling at Expert Pathologist-Level Accuracy

Hematoxylin and eosin (H&E) staining is the cornerstone of histopathology, yet scalable, quantitative analysis of H&E whole-slide images (WSIs) remains a central challenge in computational pathology. We present Atlas H&E-TME, an AI-based system built on the Atlas family of pathology foundation models that predicts tissue quality, tissue region, and cell type labels across multiple cancer types, yielding over 4,500 quantitative readouts per slide at cell-level resolution. A key challenge to validating such systems is overcoming morphological ambiguity inherent to H&E-only ground truth and the limited scalability of more informed references drawing on modalities such as immunohistochemistry (IHC). We address this with a dual validation framework combining biologically grounded depth with technical and morphological breadth. For depth, we propose an IHC-informed multi-pathologist consensus protocol that substantially improves inter-rater agreement over conventional H&E-only annotation. This yields a molecularly grounded reference against which we compare Atlas H&E-TME and pathologists working from H&E alone. For breadth, we benchmark Atlas H&E-TME on over 200,000 high-confidence H&E-only pathologist annotations across 1,500+ cases spanning eight cancer types and their most common metastatic sites, with subtypes covering >90% of clinical cases per cancer type, drawn from 25+ sources and 8+ scanner models. Benchmarked against the IHC-informed consensus, Atlas H&E-TME matches or exceeds pathologist H&E-only performance and generalizes consistently and robustly across this broad morphological and technical scope. In doing so, Atlas H&E-TME turns the H&E slide – the most ubiquitous data in pathology – into a scalable, quantitative window into the tumor and its microenvironment, laying a foundation for the next generation of tissue-based biomarkers in translational and clinical research.

08.
arXiv (CS.CL) 2026-06-11

3-Key-Input: Exploring the Theoretical Minimum Keys for Text Entry

Authors:

How far can we reduce the number of physical keys if we endow an ambiguous keyboard with modern language models? Fewer keys increase hardware design freedom in constrained settings such as assistive devices and mobile form factors. This paper systematically evaluates text entry systems using 2-5 physical keys combined with language-model-based disambiguation. On a 300-sentence English corpus (100 sentences each for Business / Conversational / Technical), we compare key counts (2-5), letter-to-key mappings (layout-based / frequency-based / intentionally worst-case), and decoders (Trie-only, GPT-2 beam search, GPT-4o selection). We find that 3 keys + GPT-4o achieves character error rate (CER) 9.46% and word error rate (WER) 12.20%, reducing CER by 59% relative to 2 keys (CER 23.3%). At 3 keys, the key-stream entropy is 1.54 bits/char; while increasing to 5 keys improves accuracy (CER 5.4%), the marginal gains diminish. Mapping choice has a small impact under standard designs ({\Delta}CER < 0.5 pp), and even an intentionally worst mapping degrades CER by only +0.5 pp, whereas Technical sentences yield roughly twice the error rate of Business. These results suggest that, in our evaluated offline setting under a strong LM prior, 3 keys are a practical minimum for general English.

09.
arXiv (CS.LG) 2026-06-18

Everywhere Valid Bounds on False Discovery Proportions in Conformal Inference

arXiv:2605.20726v2 Announce Type: replace-cross Abstract: Modern applications of conformal inference to multiple testing problems, such as outlier detection and candidate selection, often involve selecting test samples whose conformal p-values fall below a threshold. The quality of such methods is often measured by the false discovery proportion (FDP), defined as the fraction of incorrect selections. Existing approaches typically control the expected value of the FDP, using methods such as the Benjamini-Hochberg procedure. This approach fails to provide high-probability bounds on the realized false discovery proportion and invalidates statistical guarantees if the rejection threshold is selected after inspecting the data. This paper establishes finite-sample, distribution-free upper bounds on the FDP that hold simultaneously over all possible rejection thresholds, enabling arbitrary post hoc selection of the threshold. Simultaneous validity is achieved by constructing a high-probability envelope for the empirical distribution function of null conformal p-values by sampling from their joint distribution. Furthermore, our framework allows practitioners to modulate the envelope's shape, thereby producing tight bounds in rejection regions of primary interest. We use this flexible approach to derive simultaneous FDP upper bounds for both outlier detection and conformal selection. We demonstrate through synthetic and real-data experiments that the resulting bounds are both valid and substantially less conservative than those derived from existing approaches.

10.
arXiv (CS.CV) 2026-06-17

Training LLMs with Reinforcement Learning over Digital Twin Representations for Reasoning-Intensive Surgical VideoQA

Surgical video question answering requires multi-step reasoning across semantic, spatial, and temporal dimensions. Existing methods architecturally compress videos into discrete token representations and couple visual perception with reasoning. This approach fragments continuous spatial-temporal relationships and has been shown to restrict multi-step reasoning capabilities. We introduce a reinforcement learning (RL) framework that trains large language models (LLMs) to decouple perception from reasoning by operating over digital twin representations constructed from surgical foundation models. Additionally, we introduce hierarchical representations across frame, temporal window, and procedure levels with probabilistic uncertainty estimates. Finally, we propose a novel reward that combines format validation with accuracy assessment through clinical plausibility evaluation and uncertainty-aware calibration for training. To demonstrate the capabilities of this approach, we introduce REAL-Colon-Reason, a colonoscopic benchmark with 2000 question-answer pairs across three complexity levels. We achieve state-of-the-art performance on REAL-Colon-Reason and two existing surgical VideoQA benchmarks REAL-Colon-VQA and EndoVis18-VQA.

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

Robustness of Mixtures of Experts to Feature Noise

arXiv:2601.14792v2 Announce Type: replace Abstract: Despite their practical success, it remains unclear why Mixture of Experts (MoE) models can outperform dense networks beyond sheer parameter scaling. We study an iso-parameter regime where inputs exhibit latent modular structure but are corrupted by feature noise, a proxy for noisy internal activations. We show that sparse expert activation acts as a noise filter: compared to a dense estimator, MoEs achieve lower generalization error under feature noise, improved robustness to perturbations, and faster convergence speed. Empirical results on synthetic data and real-world language tasks corroborate the theoretical insights, demonstrating consistent robustness and efficiency gains from sparse modular computation.

12.
medRxiv (Medicine) 2026-06-11

PCRAgent: A Multi-Agent Framework for Transforming Noisy clinical conversations into Structured Pre-Consultation Medical Records and Reusable Clinical Data Resources

In primary care and outpatient settings, clinically important patient information is often embedded in fragmented, ambiguous, repetitive, and noisy communication between physicians and patients. This limits physicians ability to obtain a clear preconsultation overview of symptoms, history of present illness, and visit intent, while also preventing real world clinical dialogues from being reused in hospital information systems and medical artificial intelligence applications. To address this challenge, we developed PCRAgent, a centrally coordinated multi agent framework for preconsultation clinical information organization. Guided by physician inquiry logic, PCRAgent identifies, extracts, corrects, and standardizes patient-reported information from noisy consultations. Its coordinated modules including error detection, semantic editing, output control, contextual memory, and intent recognition enable robust parallel handling of spelling errors, repetitions, grammatical inconsistencies, medical ambiguities, and non-medical interference. A traceable edit list records intermediate corrections and context, allowing iterative refinement without redundant modifications. PCRAgent generates two complementary outputs. One is a PreConsultation Clinical Report for rapid physician review. The other is a Structured Clinical Conversation Dataset for hospital data construction and downstream AI applications. In evaluations using 220000 strongly perturbed consultations, PCRAgent maintained high robustness, achieving a clinical information accuracy of 4.99 out of 5 and key element completeness of 5 out of 5, outperforming GPT4o. Expert review of Chinese and English dialogues confirmed high clinical accuracy of 4.85 out of 5 and high safety of 4.79 out of 5. Multicenter validation in real-world outpatient workflows further demonstrated practical utility. These findings indicate that PCRAgent can efficiently transform noisy and unstructured consultations into physician ready reports and AI ready structured data, improving outpatient efficiency, reducing cognitive burden, ensuring information completeness, supporting precise decision-making, and enabling high-quality reuse of clinical data.

13.
arXiv (CS.AI) 2026-06-24

Transformation Behavior of Images in Latent Space

arXiv:2606.24430v1 Announce Type: cross Abstract: Training of neural networks for histopathology classification tasks typically relies on data encoding into latent space, which reduces complexity and improves performance. There are several encoder networks available, either pretrained on general image datasets such as ImageNET, or specifically on histopathological images. Training of encoder networks should be adapted to downstream tasks, allowing encoding of biologic/diagnostic content while rendering networks invariant to label-irrelevant transformations. This paper investigates the effect of classical image transformation on the latent space, using networks provided by Lunit Inc. and Bioptimus, both focusing on pathological images, and by Meta Research Team. We assess variance of embeddings resulting from standard data transformations by comparing original and transformed image embeddings and by contrasting them with random, unrelated embeddings, using image tiles from hematoxylin/eosin-stained sections available in a colorectal tissue dataset and the publicly accessible TCGA dataset. Our findings show that embeddings of original and transformed images are closer to each other than to random embeddings, indicating robustness to transformations. However, they are not fully invariant, revealing that the encoder networks do not completely neutralize transformation effects in latent space, explaining why transformation-mediated augmentation of datasets can improve performance. Significant differences were observed between general and histopathology-specific encoder networks.

14.
bioRxiv (Bioinfo) 2026-06-20

A network approach to DNA methylation clocks

Biological age predicts health and lifespan better than chronological age, but remains difficult to measure. One leading molecular proxy for biological age is DNA methylation, which underlies age predictors known as "clocks". These clocks use penalized linear regression to predict chronological age from methylation levels using selected cytosine–guanine pairs (CpGs) along DNA. Although they predict chronological age within a few years and track mortality risk, there are several issues. Different clocks share a vanishingly small number of CpG sites, many of which show weak associations with age. Also, the clocks often do not transfer across methylation array platforms. This paper takes a network approach to better understand these issues. By using 12 public datasets from human blood, we build a co-methylation network of the sites that show the strongest age correlation. After pruning weak links, we find that it has a small number of large modules of covarying CpGs surrounded by many small modules and singleton sites. These modules are biologically interpretable, as they are associated with CpG island contexts and enriched for distinct Gene Ontology functions. We also map five established clocks onto this network (Horvath, Hannum, AltumAge, Skin & Blood, and Han) and find that they select some CpGs from the same module. This suggests that they are more similar than they appear. The network structure also suggests new ways to build clocks. A simple clock that retains one CpG per module matches the performance of established clocks. A second one, built from module-level principal components, outperforms all five established clocks in three validation cohorts and is transferable across array platforms (Illumina Infinium Methylation 450K or EPIC arrays). Overall, the network perspective shifts attention from individual CpG sites to modules of covarying sites. This perspective helps explain why DNA methylation clocks perform so well despite their differences and provides a more systematic approach for developing the next generation of aging biomarkers.

15.
arXiv (CS.AI) 2026-06-18

LLM-Evolved Domain-Independent Heuristics for Symbolic AI Planning

arXiv:2605.29649v2 Announce Type: replace Abstract: Heuristic search is the dominant paradigm in symbolic AI planning, and the strongest heuristics are the result of decades of work by planning researchers. Recent work has shown that large language models (LLMs) can design heuristics for individual planning domains, but no LLM-generated heuristic has so far worked on arbitrary planning tasks. In this paper, we use evolutionary search to produce the first LLM-generated domain-independent heuristics that exceed the hand-engineered state of the art. We let an LLM mutate parent heuristics written in C++, store candidates in a MAP-Elites archive keyed on informedness and speed and calculate fitness scores by blending coverage with solving time. To place the evolved programs in context, we additionally benchmark a broad set of hand-engineered heuristics on their informedness-speed tradeoff, which to our knowledge has not been done before. On unseen testing domains, our best evolved heuristic solves more tasks than even the strongest baseline, with our full heuristic suite spanning the Pareto frontier of said tradeoff. We also find that seeding evolution from the trivial blind heuristic outperforms seeding from the strong FF heuristic, even when the resulting program is itself an FF variant, and that LLM reasoning effort affects how often candidates compile much more than the quality of those that do. Because the evolved programs are plain C++, they slot into existing planners as drop-in replacements and inherit the soundness and completeness guarantees of the underlying search.

16.
arXiv (CS.LG) 2026-06-17

On the Memorization Behavior of LLMs in Generative Recommendation: Observations, Implications, and Training Strategies

arXiv:2606.17276v1 Announce Type: cross Abstract: Generative recommendation (GR) has emerged as a promising direction for recommender systems. Recently, large language models (LLMs) have been increasingly adopted for GR, as their rich pretrained knowledge is expected to help them generalize beyond common user behavior patterns that traditional memorization-oriented baselines can capture. However, existing LLM-based GR works largely ignore LLMs' well-known tendency to memorize, which, if present in LLMs fine-tuned for GR, would restrict their utilization of pretrained knowledge. In this work, we investigate this concern by examining one-hop memorization, where a model recommends items that are direct successors of items in the training data. We show that LLMs do this more than non-LLM-based GR models-in fact, the vast majority of their gains over GR baselines are actually on users whose target items can be predicted through one-hop memorization. We intuit that improving performance on the remaining users requires LLMs to learn richer item-item relations beyond one-hop transitions. To achieve this, we propose IIRG, a novel training strategy that teaches LLMs to capture: (1) collaborative relations derived from item co-occurrences across multiple hops in user sequences, and (2) semantic relations among items with similar themes, both of which can serve as useful recommendation signals. We show that IIRG significantly improves over LLMs trained solely with standard next-item prediction, with especially large gains for users whose test items are not covered by train-time one-hop transitions.

17.
arXiv (CS.CL) 2026-06-24

ComputeFHE: A Privacy-Preserving General-Purpose Computation Library

Fully Homomorphic Encryption (FHE) enables computations to be performed directly on encrypted data while preserving data confidentiality. However, its practical applications remain limited by high computational costs and development complexity. This paper presents ComputeFHE, an open-source C++ library that facilitates the development of privacy-preserving applications based on the TFHE cryptosystem. The library provides encrypted integer and fixed-point data types together with arithmetic, logical, comparison, conditional, and oblivious array-access operations which allow developers to implement algorithms using a familiar imperative programming paradigm. ComputeFHE supports both conventional TFHE arithmetic based on standard two-input logic gates and an optimized Arithmetic Logic Unit (ALU) architecture utilizing FHE-friendly logic primitives. Experimental results demonstrate significant reductions in the number of required bootstrapping operations, achieving performance improvements of up to 3.9x for selected operations. In addition, the library includes a simulation mode that enables testing, debugging, and complexity analysis without performing actual cryptographic computations while providing circuit complexity and bootstrapping costs. Built on top of OpenFHE, ComputeFHE offers a practical and accessible framework for developing and evaluating privacy-preserving algorithms and applications.

18.
arXiv (CS.CV) 2026-06-18

Semantic Router: On the Feasibility of Hijacking MLLMs via a Single Adversarial Perturbation

Multimodal Large Language Models (MLLMs) are increasingly deployed in stateless systems, such as autonomous driving and robotics. This paper investigates a novel threat: Semantic-Aware Hijacking. We explore the feasibility of hijacking multiple stateless decisions simultaneously using a single universal perturbation. We introduce the Semantic-Aware Universal Perturbation (SAUP), which acts as a semantic router, "actively" perceiving input semantics and routing them to distinct, attacker-defined targets. To achieve this, we conduct theoretical and empirical analysis on the geometric properties in the latent space. Guided by these insights, we propose the Semantic-Oriented (SORT) optimization strategy and annotate a new dataset with fine-grained semantics to evaluate performance. Extensive experiments on three representative MLLMs demonstrate the fundamental feasibility of this attack, achieving a 66% attack success rate over five targets using a single frame against Qwen.

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

Explaining Attention with Program Synthesis

arXiv:2606.19317v1 Announce Type: cross Abstract: A longstanding goal of research on interpretable deep learning is to replace opaque neural computations with human-meaningful symbolic descriptions. In this paper, we propose an approach for approximating the behavior of components of deep networks with executable programs. We focus on attention heads in transformer language models. For a given head, we first compute its associated attention matrices on a collection of randomly selected training examples. Next, we prompt a pre-trained language model with a summary of these matrices, and instruct it to generate a set of Python programs that can reproduce the associated attention patterns given only text from the input sentence. Finally, we re-rank programs according to how well our final set of programs predict behavior on held-out inputs. We demonstrate that a set of fewer than 1,000 such generated programs can reproduce the attention patterns of heads in GPT-2, TinyLlama-1.1B, and Llama-3B, achieving an average Intersection-over-Union similarity above 75% on TinyStories. Moreover, the best-fit programs can replace neural attention heads without substantially affecting model behavior: replacing 25% of attention heads with programmatic surrogates across the three models incurs only a 16% average perplexity increase, while maintaining performance on a variety of downstream question answering benchmarks. This work contributes a scalable pipeline for reverse-engineering attention heads in transformer models using human-readable, executable code, advancing a path toward symbolic transparency in neural models.

20.
arXiv (quant-ph) 2026-06-25

Many-Body Second Order Green's Function Theory for Ab Initio Molecular Quantum Electrodynamics

arXiv:2606.26076v1 Announce Type: new Abstract: In this work, we develop two many-body quantum electrodynamic methods to calculate the ground-state energies of strongly coupled light-matter molecular systems. Specifically, we extend the second-order many-body Green's function theory (GF2) for electronic systems to incorporate electron-boson couplings. We employ two ansätze to treat the bosonic part of the system, namely the coherent-state (CS) and Lang-Firsov (LF) transformed vacuum state. These are combined with the GF2 method to construct two new approaches, which we refer to as CS-GF2 and LF-GF2. We benchmark CS- and LF-GF2 by studying various molecular systems inside an optical cavity. We investigate $\mathrm{H}_2$ and $\mathrm{LiH}$ potential energy surfaces, keto-eneol tautomerization energy barrier, van-der Waals interactions between two $\mathrm{H_2}$ molecules and the torsional potential energy surface of the ethylene molecule, $\mathrm{C_2H_4}$. Both methods provide highly accurate energies, with only modest additional improvement observed in LF-GF2.

21.
arXiv (CS.LG) 2026-06-16

Integrated Marketing Attribution: A Bayesian Framework for Privacy-Safe Granular Measurement Anchored in MMM

arXiv:2606.16878v1 Announce Type: new Abstract: Retail marketing measurement increasingly requires granular campaign-level insights without relying on user-level tracking. However, the two dominant approaches, Marketing Mix Modeling (MMM) and Multi-Touch Attribution (MTA), often produce fragmented insights. MMM is privacy-safe and robust for channel-level planning but is too coarse for campaign optimization, while MTA provides granular attribution but has become less reliable under increasing privacy restrictions. We propose Integrated Marketing Attribution (IMA), a unified framework that combines MMM with channel specific Bayesian attribution models to derive campaign-level effects from aggregated data. By leveraging MMM-informed priors, IMA delivers granular, privacy-safe attribution while preserving consistency with MMM.

22.
arXiv (CS.AI) 2026-06-25

OmegAMP: Targeted AMP Discovery via Biologically Informed Generation

arXiv:2504.17247v3 Announce Type: replace-cross Abstract: Deep learning-based antimicrobial peptide (AMP) discovery faces critical challenges such as limited controllability, lack of representations that efficiently model antimicrobial properties, and low experimental hit rates. To address these challenges, we introduce OmegAMP, a framework designed for reliable AMP generation with increased controllability. Its diffusion-based generative model leverages a novel conditioning mechanism to achieve fine-grained control over desired physicochemical properties and to direct generation towards specific activity profiles, including species-specific effectiveness. This is further enhanced by a biologically informed encoding space that significantly improves overall generative performance. Complementing these generative capabilities, OmegAMP leverages a novel synthetic data augmentation strategy to train classifiers for AMP filtering, drastically reducing false positive rates and thereby increasing the likelihood of experimental success. Our in silico experiments demonstrate that OmegAMP delivers state-of-the-art performance across key stages of the AMP discovery pipeline, enabling us to achieve an unprecedented success rate in wet lab experiments. We tested 25 candidate peptides, 24 of them (96%) demonstrated antimicrobial activity, proving effective even against multi-drug resistant strains. Our findings underscore OmegAMP's potential to significantly advance computational frameworks in the fight against antimicrobial resistance.

23.
arXiv (CS.AI) 2026-06-25

From Sounds to Scenes: A Benchmark for Evaluating Context-Aware Auditory Scene Understanding in Large Audio Language Models

arXiv:2606.25391v1 Announce Type: cross Abstract: Recent Large Audio Language Models (LALMs) have achieved remarkable progress in audio perceptual tasks across individual acoustic layers, including speech, sound, and music. However, existing benchmarks predominantly evaluate these layers in isolation, overlooking the complex contextual relationships that arise when multiple acoustic sources co-occur in real-world auditory scenes. Real-world auditory interpretation requires Context-Aware Auditory Scene Understanding (CASU): the ability to comprehend the holistic scene by integrating sound layers. To evaluate this capability, we introduce the CASU benchmark, which assesses whether Audio LLMs can interpret auditory scenes composed of speech, acoustic events (e.g., announcements), and background environments (e.g., traffic), and reason about the logical relationships between these layers. We propose a scalable pipeline for constructing time-accurate, semi-synthetic audio streams by composing real-world scene sounds with synthetic speech. Building on this data, we design four tasks that probe scene understanding: contextual question answering, entity extraction from the scene, speaker role inference, and counterfactual reasoning where scene is manipulated. Experiments across multiple LALMs demonstrate that effective auditory scene understanding requires integration over all auditory layers, rather than reliance on speech or sound alone, underscoring the necessity of CASU for advancing complex audio understanding in LALMs.

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

CountZES: Counting via Zero-Shot Exemplar Selection

Object counting in complex scenes is particularly challenging in the zero-shot (ZS) setting, where instances of unseen categories are counted using only a class name. Existing ZS counting methods that infer exemplars from text often rely on off-the-shelf open-vocabulary detectors (OVDs), which in dense scenes suffer from semantic noise, appearance variability, and multi-instance proposals. Alternatively, random image-patch sampling is employed, which fails to accurately delineate object instances. Since counting is sensitive to exemplar quality, such selection strategies often yield poorly representative exemplars, leading to inaccurate count estimation. To address these issues, we propose CountZES, an inference-only approach for object counting via ZS exemplar selection. CountZES discovers diverse exemplars through three synergistic stages: Detection-Anchored Exemplar (DAE), Density-Guided Exemplar (DGE), and Feature-Consensus Exemplar (FCE). DAE refines OVD detections to isolate precise single-instance exemplars. DGE introduces a density-driven, self-supervised paradigm to identify statistically consistent and semantically compact exemplars, while FCE reinforces visual coherence through feature-space clustering. Together, these stages yield a complementary exemplar set that balances textual grounding, count consistency, and feature representativeness. Experiments on diverse datasets demonstrate CountZES superior performance among ZOC methods while generalizing effectively across domains.

25.
arXiv (quant-ph) 2026-06-16

Watching a Superconducting Coplanar Waveguide Heat Up with a Single Color Center

arXiv:2606.15398v1 Announce Type: new Abstract: Single color centers in diamond offer a local probe of their cryogenic environment, providing a direct way to quantify heating in spin-control hardware. Here, we establish a single spectrally stable tin-vacancy (SnV) center as an on-chip thermometer for a diamond membrane and use it to characterize microwave- and radio-frequency-induced heating in a superconducting coplanar waveguide patterned on the same chip. We first calibrate the temperature dependence of the optical C-transition frequency and linewidth from $20\,\mathrm{K}$ down to the few-kelvin regime. At lower temperatures, where the optical response becomes weakly temperature dependent, we use the spin-lattice relaxation time $T_1$ as a complementary thermometer and tune its sensitivity with the transverse magnetic-field component. Applying this local thermometer to a niobium coplanar waveguide, we observe magnetic-field-dependent superconducting breakdown under GHz drive, accompanied by abrupt heating of the diamond. In contrast, at $20\,\mathrm{MHz}$ and $400\,\mathrm{mT}$, relevant for nuclear-spin control, we detect no measurable heating up to the breakdown threshold of $9.4\,\mathrm{dBm}$, corresponding to $B_\mathrm{ac}\sim1.2\,\mathrm{mT}$. These results define a safe operating window for superconducting microwave and RF control structures in diamond-based quantum nodes.