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01.
arXiv (CS.LG) 2026-06-17

Regularized Machine Learning for System Identification of Ship Free-Running Manoeuvres from CFD-Based Synthetic Data: A Comparative Study

arXiv:2606.17121v1 Announce Type: cross Abstract: This study investigates supervised machine learning techniques for identifying ship hydrodynamic coefficients from CFD-generated data from free-running simulations. Specifically, ordinary least squares and regularized regression methods are applied to Abkowitz-type manoeuvring models. Training and validation datasets are derived from URANS simulations of zig-zag and turning circle manoeuvres, which are validated against experimental benchmark data. The analysis evaluates the effects of coefficient set size, minimum training length required for predictive model training, and manoeuvre combinations on model performance. Results demonstrate the suitability of large-angle zig-zag manoeuvres for hydrodynamic system identification, provided that multicollinearity is addressed through appropriate coefficient selection, regression models, or input data variability. Larger coefficient sets offer greater model flexibility for variable conditions but are more prone to multicollinearity. Regularized regression techniques effectively mitigate multicollinearity and notably enhance prediction accuracy, as does incorporating more diverse manoeuvring data. Among tested models, Ridge regression provided the best compromise between computational efficiency and prediction accuracy.

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

A Critical Look at Targeted Instruction Selection: Disentangling What Matters (and What Doesn't)

arXiv:2602.14696v2 Announce Type: replace Abstract: Instruction fine-tuning of large language models (LLMs) often involves selecting a subset of instruction training data from a large candidate pool, using a small query set from the target task. Despite growing interest, the literature on targeted instruction selection remains fragmented and opaque: methods vary widely in selection budgets, often omit zero-shot baselines, and frequently entangle the contributions of key components. As a result, practitioners lack actionable guidance on selecting instructions for their target tasks. In this work, we aim to bring clarity to this landscape by disentangling and systematically analyzing the two core ingredients: data representation and selection algorithms. Our framework enables controlled comparisons across models, tasks, and budgets. We find that only gradient-based data representations choose subsets whose similarity to the query consistently predicts performance across datasets, models, and candidate pools. While no single method dominates, gradient-based representations paired with greedy round-robin selection often perform best on average at low budgets, but these gains diminish at larger budgets. Finally, we unify several existing selection algorithms as forms of approximate distance minimization between the selected subset and the query set, and support this view with new generalization bounds. More broadly, our findings provide critical insights and a foundation for more principled data selection in LLM fine-tuning. The code is available at https://github.com/dcml-lab/targeted-instruction-selection.

03.
arXiv (math.PR) 2026-06-18

Evolution of Conditional Entropy for Diffusion Dynamics on Graphs

arXiv:2510.19441v2 Announce Type: replace-cross Abstract: The modeling of diffusion processes on graphs is the basis for many network science and machine learning approaches. Entropic measures of network-based diffusion have recently been employed to investigate the reversibility of these processes and the diversity of the modeled systems. While results about their steady state are well-known, very few exact results about their finite-time evolution exist. Here, we introduce the conditional entropy of heat diffusion in graphs, and outline a mathematical framework that contextualizes diffusion and conditional entropy within the theories of continuous-time Markov chains and information theory. In particular, we highlight that this entropic measure satisfies an information-theoretical version of the second law of thermodynamics, thereby providing a parallelism between diffusion dynamics on networks and their physical counterparts. Furthermore, we obtain explicit results for its evolution on complete, path, and circulant graphs, as well as a mean-field approximation for Erdös-Rényi graphs. We also obtain asymptotic results for general networks and provide bounds for the evolution of conditional entropy. Finally, we experimentally demonstrate several properties of conditional entropy for diffusion over random graphs, such as the Watts-Strogatz model.

04.
arXiv (CS.AI) 2026-06-15

Shift-Invariant Attribute Scoring for Kolmogorov-Arnold Networks via Shapley Value

arXiv:2510.01663v2 Announce Type: replace-cross Abstract: For many real-world applications, understanding feature-outcome relationships is as crucial as achieving high predictive accuracy. While traditional neural networks excel at prediction, their black-box nature obscures underlying functional relationships. Kolmogorov–Arnold Networks (KANs) address this by employing learnable spline-based activation functions on edges, enabling recovery of symbolic representations while maintaining competitive performance. However, KAN's architecture presents unique challenges for network pruning. Conventional magnitude-based methods become unreliable due to sensitivity to input coordinate shifts. We propose ShapKAN, a pruning framework using Shapley value attribution to assess node importance in a shift-invariant manner. Unlike magnitude-based approaches, ShapKAN quantifies each node's actual contribution, ensuring consistent importance rankings regardless of input parameterization. Extensive experiments on synthetic and real-world datasets demonstrate that ShapKAN preserves true node importance while enabling effective network compression. Our approach improves KAN's interpretability advantages, facilitating deployment in resource-constrained environments.

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

Counterexample Guided Learning in the Large using Reasoning Agents

arXiv:2606.11521v1 Announce Type: new Abstract: LLMs and LLM agents should improve when given feedback, but identifying when they are able to do so is difficult: feedback is heterogeneous, domain-specific, and difficult to control. We approach this challenge by asking LLMs to perform regular-expression induction, a classical symbolic learning problem where precise mechanisms for feedback exist in the form of counterexamples. In counterexample-guided learning, a learner (LLM) proposes candidate regular expressions from positive/negative-labeled strings, and the teacher (verifier) returns counterexamples showcasing the difference between the candidate and target languages. We identify novel counterexample-guided refinement strategies that enable effective regex learning, such as regularization and symbolic counterexample clusters. We also explore agentic strategies such as reflection and repair loops. Empirically, we find that verifier feedback substantially improves sample efficiency on challenging regex-induction tasks, reducing the number of labeled examples required and enabling learning of complex target expressions where standard prompting fails. For example, on the hardest task groups, our counterexample-guided framework improves success from 3.2% to 38.1% and from 38.9% to 74.1% on two different regex domains. These results suggest that LLMs can benefit from rich feedback beyond treating it as additional data, opening the door for robust verifier-guided methods for LLM-based program synthesis and formal reasoning.

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

PolyFlow: Safe and Efficient Polytope-Constrained Flow Matching with Constraint Embedding and Projection-free Update

arXiv:2606.13400v1 Announce Type: cross Abstract: While flow-based generative models have demonstrated strong performance across a wide range of domains, deploying them in safety-critical physical systems remains challenging due to strict constraint requirements. Existing approaches typically enforce safety through post-hoc corrections, which incur substantial computational overhead and may distort the learned distribution. We propose PolyFlow, a polytope-constrained flow matching framework that embeds constraints directly into the model and flow dynamics. PolyFlow introduces a discrete-time flow formulation and a projection-free architecture, which eliminate the discretization error and guarantee strict satisfaction of arbitrary polyhedral constraints, without the need for expensive iterative solvers. Experimental results show that PolyFlow achieves zero constraint violation while maintaining high distributional fidelity across a range of planning and control tasks. Compared to state-of-the-art constrained generation baselines, PolyFlow significantly reduces inference latency and demonstrates a favorable trade-off between safety, efficiency, and generative quality. Code is available on https://github.com/MJianM/PolyFlow.

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

QCI Connect: A Modular Full-Stack Quantum Computing Platform

arXiv:2606.14456v1 Announce Type: new Abstract: In a world of various competing quantum computing architectures, hardware-agnostic, full-stack platforms are necessary to bring the full power of quantum computing hardware to domain experts via the cloud. QCI Connect and its Software Development Kit provide a reference architecture for a full-stack platform with a modular design and open-source interface definitions, built to facilitate a community-driven application ecosystem. Here, we present its overall design and features, central interfaces, and lessons learned, both for users of the platform and as a reference guide for future developments.

08.
arXiv (math.PR) 2026-06-16

A small noise approximation for Muller's Ratchet

arXiv:2606.15842v1 Announce Type: new Abstract: We consider an infinite system of SDEs with Fleming-Viot noise indexed by $k=0,1,2,\dots$, whose parameters $\alpha,\lambda$, and $\nu$ are the (deleterious) selection coefficient, the (uni-directional) mutation rate, and a quantity which determines the size of the system's fluctuations. The SDE's unique weak solution $X(t) = (X_k(t))_{k=0,1,2,...}$ models what is known in population genetics as Muller's ratchet. Here, $X_k(t)$ stands for the frequency of individuals carrying $k$ deleterious mutations. Since the mutation process is uni-directional, $t\mapsto \inf\{k: X_k(t)> 0\}$ is non-decreasing for almost every path of $X$, and we refer to an increase as a click of Muller's ratchet. A long standing question concerns the clicking rate of Muller's ratchet. Using Duhamel's principle for semigroups, we give a partial answer by approximating $E(\sum_{k=1}^\infty kX_k(t) )$ and $E\big(X_0(t)\big)$ up to $O(1/\nu^2)$ for fixed $\alpha$, $\lambda$ and $t>0$. Our results suggest that $\psi:=\nu \alpha e^{-\lambda/\alpha}$ is a crucial quantity also when the mutation/selection ratio $\theta = \lambda/\alpha$ is moderately large: for large $\nu \alpha$, clicking of the ratchet on the time scale $\frac 1\alpha \log \theta$ becomes rare as soon as $\psi$ becomes large.

09.
arXiv (CS.CV) 2026-06-15

Optimizing Rank for High-Fidelity Implicit Neural Representations

Implicit Neural Representations (INRs) based on vanilla Multi-Layer Perceptrons (MLPs) are widely believed to be incapable of representing high-frequency content. This has directed research efforts towards architectural interventions, such as coordinate embeddings or specialized activation functions, to represent high-frequency signals. In this paper, we challenge the notion that the low-frequency bias of vanilla MLPs is an intrinsic, architectural limitation to learn high-frequency content, but instead a symptom of stable rank degradation during training. We empirically demonstrate that regulating the network's rank during training substantially improves the fidelity of the learned signal, rendering even simple MLP architectures expressive. Extensive experiments show that using optimizers like Muon, with high-rank, near-orthogonal updates, consistently enhances INR architectures even beyond simple ReLU MLPs. These substantial improvements hold across a diverse range of domains, including natural and medical images and novel view synthesis, with up to +9 dB PSNR over the same architecture. Code is available at (https://rank-inrs.github.io).

10.
arXiv (CS.CL) 2026-06-16

SimSiam Naming Game: A Unified Approach for Emergent Communication and Representation Learning

Emergent Communication (EmCom) investigates how agents develop symbolic communication through interaction without predefined language. Recent frameworks, such as the Metropolis–Hastings Naming Game (MHNG), formulate EmCom as the learning of shared external representations negotiated through interaction under joint attention, without explicit success or reward feedback. However, MHNG relies on sampling-based updates that suffer from high rejection rates in high-dimensional perceptual spaces, making the learning process sample-inefficient for complex visual datasets. In this work, we propose the SimSiam Naming Game (SSNG), a feedback-free EmCom framework that replaces sampling-based updates with a symmetric, self-supervised representation alignment objective between autonomous agents. Building on a variational inference–based probabilistic interpretation of self-supervised learning, SSNG formulates symbol emergence as an alignment process between agents' latent representations mediated by message exchange. To enable end-to-end gradient-based optimization, discrete symbolic messages are learned via a Gumbel–Softmax relaxation, preserving the discrete nature of communication while maintaining differentiability. Experiments on CIFAR-10 and ImageNet-100 show that the emergent messages learned by SSNG achieve substantially higher linear-probe classification accuracy than those produced by referential games, reconstruction games, and MHNG. These results indicate that self-supervised representation alignment provides an effective mechanism for feedback-free EmCom in multi-agent systems.

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

VOID: Defeating Unauthorized Mimicry in Latent Diffusion Models

While Latent Diffusion Models (LDMs) have revolutionized visual synthesis, they are increasingly exploited for unauthorized mimicry of individuals. Existing defenses inject deceptive perturbations to steer the generated images toward irrelevant targets. However, this approach hinges on an ungrounded assumption: subtle perturbations can maintain their deceptive efficacy throughout an LDM's extensive generation process. In reality, the model's innate restoration mechanism will remove such perturbations and cause individual identities to re-emerge in the images generated. We propose VOID, a defense framework that overcomes this conundrum by manipulating an LDM's intrinsic stochasticity. VOID perturbs the diffusion pipeline in two novel ways: 1) amplifying the latent encoding errors to shatter an image's semantic structure, and 2) counteracting the target guidance signals to suppress the model's restoration capabilities. This results in a semantic corruption that thwarts any unauthorized mimicry. Notably, the security gain does not come at the price of visual utility, as VOID simultaneously manages to confine perturbations to human-imperceptible regions of protected images. Our comprehensive evaluation of 24 state-of-the-art defenses against 10 mimicry attacks on 5 datasets demonstrates VOID's unprecedented protection power: it increases the average Frechet Inception Distance (FID) from 113 to 365, a 223% improvement over the strongest defense to date.

12.
arXiv (CS.LG) 2026-06-15

Beyond a Single Explanation of the Adam–SGD Gap

arXiv:2606.14259v1 Announce Type: new Abstract: Prior work has identified several factors that can contribute to the performance gap between Adam and SGD, spanning data aspects, architecture design, and optimization properties. Yet these explanations are often studied in isolation, leaving their relative importance unclear. In this work, we revisit these hypotheses through a controlled empirical study across vision, language, genomics, and graph tasks, spanning modern and classical architectures, and carefully designed training setups. Our results suggest that no single factor consistently explains the Adam–SGD gap. For instance, the Adam advantage can (1) persist under a uniform vocabulary distribution yet nearly disappear under a heavy-tailed one; (2) reverse in favor of SGD in softmax-attention models; and (3) become larger under soft architectural modifications, e.g., when ReLU is replaced by a GeLU nonlinearity. This suggests that the gap arises from nontrivial data and architecture interactions, rather than from a single common factor. Yet, we observe a pattern across our settings: a crossover batch size at which the relative advantage shifts from SGD to Adam as the batch size scales. These empirical results are captured by our theoretical gap model, which predicts this batch-size-dependent crossover. Our perspective helps reconcile several existing hypotheses while offering practical insights across domains.

13.
medRxiv (Medicine) 2026-06-18

Urinary Creatine Riboside Complements PSA to Improve Disease Detection in the Diagnostic Gray Zone of Prostate Cancer

Circulating prostate-specific antigen (PSA) discriminates poorly in the diagnostic gray zone (3.0-9.99 ng/mL), where ~75% of biopsies yield no clinically significant prostate cancer (PCa). We evaluated whether urinary creatine riboside (CR), a tumor-derived metabolite excreted through the prostatic urethra, complements PSA for gray-zone detection and independently predicts prostate-cancer-specific mortality (PCSM). In the NCI-Maryland PCa Case-Control Study (951 cases, 962 controls; 47.6% African American men; median follow-up 11.5 years), urinary CR was quantified by UPLC-MS/MS. Within the PSA gray zone (n = 668), urinary CR was complementary to PSA, with markedly higher single-marker discrimination than PSA (AUC 0.93, 95% CI 0.88-0.98 vs 0.77, 0.66-0.89) and additive when combined ({Delta}AUC +0.17, p < 0.001; 91.4% sensitivity at 80% specificity). After adjustment for 11 clinical and sociodemographic covariates, urinary CR independently predicted PCSM complementary to PSA (Fine-Gray SHR 1.72, 1.35-2.19 for CR; 1.35, 1.08-1.68 for PSA; Harrell's C 0.85 for CR + PSA vs 0.77 for PSA alone), with strongest signal in African American men (SHR 2.43, 1.57-3.75 for CR). We conclude that urinary CR is a candidate non-invasive biomarker complementary to PSA - improving gray-zone triage and predicting PCSM; prospective validation in biopsy-referred cohorts is warranted.

14.
arXiv (CS.CL) 2026-06-11

Benchmarking Large Language Models for Safety Data Extraction

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

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

When to Write and When to Suppress: Route-Specialized Dual Adapters for Memory-Assisted Knowledge Editing

Authors:

arXiv:2606.14668v1 Announce Type: new Abstract: Knowledge editing systems must update selected facts while preserving nearby but irrelevant behavior. This paper studies this problem in a memory-assisted setting where an edit memory is retrieved at inference time and a parameter-efficient adapter corrects the model's object preference. We argue that the central design question is not only how to write an edit, but also when to suppress it. We introduce \method{}, a route-specialized dual-adapter editor. A relevance router first decides whether a prompt should receive an edit memory. Routed prompts use an edit adapter trained to prefer the new object over the original object; unrouted non-direct prompts use a separate locality adapter trained to preserve or restore the original-object preference. We evaluate \method{} on three 1,000-case protocols, \cf{}, \zsre{}, and \mquake{}, under the same memory protocol and two 7B/8B base models. On Llama-3.1-8B-Instruct, \method{} obtains the best overall probability-preference accuracy on all three benchmarks: 0.8180 on \cf{}, 0.8946 on \zsre{}, and 0.9922 on \mquake{}. The same trend holds on Qwen3-8B. Router ablations show that the relevant memory boundary differs across datasets: a lexical neural router is safest on \cf{}, while BGE embedding routing is better on \zsre{} and \mquake{}. Component and module ablations show that the gain mainly comes from separating edit injection from off-route suppression rather than from simply increasing LoRA capacity.

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

Can LLM Coding Agents Reason About Time Series?

Large language models (LLMs) are increasingly being used for automated decision-making systems in finance, healthcare, or environmental monitoring. Time series data are ubiquitous in these fields, yet hard to process automatically. Can time series be analyzed by LLM agents? We examine three approaches: providing the agent with raw numerical data, using the LLM as a coding agent, or a combination of both. In the coding agent setup, the model iteratively queries the data using Python code. Using two time series understanding benchmarks, we show that agents with code access can outperform models processing raw data by up to 10%. However, even the best performing agent still answers about 22-34% of the questions incorrectly. To get insights into models' strategies and reasoning gaps, we analyze the model outputs with a strong LLM judge. Our analysis reveals that coding agents can select appropriate statistical tests, but often miss important nuances. Meanwhile, models with access to raw data can reach the right conclusions using back-of-the-envelope calculations.

17.
arXiv (math.PR) 2026-06-11

Sure-almost-sure and Sure-limit-sure Window Mean Payoff in Markov Decision Processes

arXiv:2605.12191v2 Announce Type: replace-cross Abstract: Given rationals $\alpha$ and $\beta$, the sure-almost-sure problem for a threshold Boolean objective $\varphi$ in a Markov decision process (MDP) asks if one can simultaneously ensure that all outcomes of the MDP have $\varphi$-value at least $\alpha$ (i.e. sure $\alpha$ satisfaction) and with probability $1$ the outcome has $\varphi$-value at least $\beta$ (i.e. almost-sure $\beta$ satisfaction). The sure-limit-sure problem asks if for all $\varepsilon > 0$ one can simultaneously ensure that all outcomes have $\varphi$-value at least $\alpha$ and with probability at least $1 - \varepsilon$ the outcome has $\varphi$-value at least $\beta$. Moreover, if simultaneous satisfaction of objectives is possible, then one would also like to construct a strategy (for sure-almost-sure) or a family of strategies (for sure-limit-sure) that achieves this. In this paper, we solve the sure-almost-sure and sure-limit-sure problems for window mean-payoff objectives. The window mean-payoff objective strengthens the standard mean-payoff objective by requiring that eventually, from every point in the infinite run, the average payoff becomes greater than a given threshold within a finite window length. We study two variants of window mean payoff: in the fixed variant, the window length $\ell$ is given, while in the bounded variant, the length is not given but is required to be bounded throughout the run. We show that the sure-almost-sure problem and the sure-limit-sure problem are both in P for the fixed variant (if $\ell$ is given in unary) and are both in NP $\cap$ coNP for the bounded variant, matching the computational complexity of sure satisfaction and almost-sure satisfaction when considered separately for these objectives. We also give bounds for the memory requirement of winning strategies for all considered problems.

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

Decoupling Search from Reasoning: A Vendor-Agnostic Grounding Architecture for LLM Agents

Production LLM agents increasingly depend on real-time search, yet native search grounding bundles retrieval policy, provider choice, evidence injection, cost, latency, and generation behavior behind a single model-provider boundary. This coupling makes grounding hard to inspect, tune, reuse, or port, and can trigger Search-Induced Verbosity that breaks strict output contracts. We present Decoupled Search Grounding (DSG), a vendor-agnostic boundary that moves grounding outside the reasoning model through an MCP-compatible gateway, exposing provider routing, source-aware context rendering, configured fallback, retrieval-depth control, and exact plus semantic caching as first-class controls. Across five frontier models on SimpleQA, FreshQA, and HotpotQA, native search leads on recency-sensitive FreshQA, but DSG exposes a stronger frontier when control matters: on SimpleQA it nearly matches native accuracy (86.1% vs. 87.7%) at 91% lower search cost, preserves concise answer contracts, and reaches a 99.4% warm-cache hit rate with 68% lower latency. Deployed as a shared production grounding layer for large-scale agentic workloads with interchangeable models, DSG matches or slightly exceeds native-search accuracy on an e-commerce query-understanding (QIU) workload while cutting search cost by over 98%. Real-time grounding is best treated as an optimizable interface boundary, not a fixed model feature.

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

QC-GAN: A Parameter-Efficient Quaternion Conformer GAN for High-Fidelity Speech Enhancement

arXiv:2606.18611v1 Announce Type: cross Abstract: We propose a parameter-efficient speech enhancement framework, Quaternion Conformer GAN (QC-GAN), which combines a Quaternion Conformer generator with MetricGAN-based training. The Hamilton product encodes the magnitude and phase via structured weight sharing, reducing the number of layer parameters while preserving their interdependencies. A metric-learning discriminator was employed to maximize perceptual quality by optimizing the approximate perceptual evaluation scores. On the VoiceBank+DEMAND dataset, QC-GAN achieved a Perceptual Evaluation of Speech Quality (PESQ) score of 3.48 with only 0.89M parameters, delivering a performance comparable to state-of-the-art models at less than half their size. A 35K-parameter variant achieved a PESQ score of 3.23, surpassing conventional methods with significantly fewer parameters. Evaluation on the DNS-Challenge 3 dataset further confirmed generalization to real-world conditions.

20.
arXiv (CS.LG) 2026-06-18

N(CO)$^2$: Neural Combinatorial Optimization with Chance Constraints to Solve Stochastic Orienteering

arXiv:2606.18514v1 Announce Type: cross Abstract: Neural combinatorial optimization (NCO) offers a promising alternative to traditional heuristic-based methods for solving complex graph optimization problems by proposing to learn heuristics through data. This class of problems frequently arises in automation, as it can be used to model a variety of applications. While NCO has been extensively studied for deterministic combinatorial optimization problems, there are only a few works that aim to solve stochastic combinatorial optimization problems. In this work, we present N(CO)$^2$: Neural Combinatorial Optimization with Chance cOnstraints to solve the Stochastic Orienteering Problem (SOP) without the use of hand-crafted heuristics. By integrating a reinforcement learning (RL) framework, the model optimizes path selection under uncertainty, effectively balancing exploration and exploitation. Empirical results demonstrate that our method generalizes well across diverse SOP instances, achieving competitive performance compared to the state-of-the-art mixed-integer linear program (MILP) for the task. The proposed approach reduces human effort in heuristic design while enabling adaptive and efficient decision-making in uncertain environments.

21.
bioRxiv (Bioinfo) 2026-06-19

Sanjeevani: A manually curated anti-cancerous phytochemical database integrated with downstream analysis tools.

Background: Cancer continues to pose a massive global health burden. While plant-derived phytochemicals offer promising therapeutic leads, existing natural product databases often lack cancer specificity, dataset downloadability, and integrated screening tools. Methods: We developed Sanjeevani, an integrative web platform cataloguing 4,823 curated anticancer phytochemicals. Using a balanced dataset of 9,646 molecules, we trained Support Vector Machine (SVM), Random Forest, and K-Nearest Neighbours classifiers using a hybrid feature representation of RDKit descriptors and 2048-bit ECFP4 fingerprints. The platform also integrates AutoDock Vina for web-based molecular docking for binding affinity, poses prediction and ADMET-AI for pharmacokinetics estimation. Results: The SVM model demonstrated the strongest predictive capability, achieving a top test accuracy of 0.966 and a ROC-AUC of 0.992. Benchmarking across five docking tools confirmed that AutoDock Vina successfully balanced computational automation with literature-consistent binding affinity replication. The final architecture provides rapid interactive 2D/3D visualizations integrated with downstream analysis tools. Conclusion: Sanjeevani provides an open-access, one-stop pipeline that bridges the gap between raw natural product data and actionable computational screening, accelerating natural product-based oncology drug discovery.

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

FENCE: A Financial and Multimodal Jailbreak Detection Dataset

Jailbreaking poses a significant risk to the deployment of Large Language Models (LLMs) and Vision Language Models (VLMs). VLMs are particularly vulnerable because they process both text and images, creating broader attack surfaces. However, available resources for jailbreak detection are scarce, particularly in finance. To address this gap, we present FENCE, a bilingual (Korean-English) multimodal dataset for training and evaluating jailbreak detectors in financial applications. FENCE emphasizes domain realism through finance-relevant queries paired with image-grounded threats. Experiments with commercial and open-source VLMs reveal consistent vulnerabilities, with GPT-4o showing measurable attack success rates and open-source models displaying greater exposure. A baseline detector trained on FENCE achieves 99 percent in-distribution accuracy and maintains strong performance on external benchmarks, underscoring the dataset's robustness for training reliable detection models. FENCE provides a focused resource for advancing multimodal jailbreak detection in finance and for supporting safer, more reliable AI systems in sensitive domains. Warning: This paper includes example data that may be offensive.

24.
arXiv (CS.LG) 2026-06-12

Auditing Discriminatory Patterns in Mortgage Lending Through Association Rules and Fair Binning

arXiv:2606.12435v1 Announce Type: cross Abstract: Mortgage lending in the United States exhibits persistent racial and gender disparities. We investigate whether standard data preprocessing steps, specifically attribute binning, amplify these disparities in downstream pattern mining. Using 103,481 cleaned mortgage applications from the HMDA 2023 dataset (Chicago metropolitan area), we build a three-stage pipeline: (1) a PySpark data cleaning and binning pipeline that implements both standard equal-frequency binning and the epsilon-biased fair binning algorithm from Asudeh et al. [1], (2) FP-Growth association rule mining that compares denial patterns under both binning regimes, and (3) K-Means clustering with a per-cluster disparate impact audit. Our standard binning shows 9.63% racial bias in income discretization, consistent with the 8-10% reported in prior work. Fair binning with seven race groups is infeasible at epsilon=0.03 and only succeeds at epsilon=0.08 with a Price of Fairness of 29.4%. FP-Growth reveals that high debt-to-income ratio is the dominant denial predictor (67.2% confidence, 2.81 lift), while racial bias does not appear as explicit high-support rules. However, K-Means clustering followed by a disparate impact audit flags 10 out of 45 cluster-group pairs, showing that Black applicants face significantly higher denial rates than White applicants even among financially similar groups.

25.
arXiv (CS.LG) 2026-06-15

EM-NeSy: Expectation Maximization for Neurosymbolic Learning

arXiv:2606.14463v1 Announce Type: new Abstract: Neurosymbolic (NeSy) models integrate neural networks and symbolic reasoning for robust and interpretable AI. State-of-the-art NeSy models require that the symbolic component is expressed in a differentiable way, often complicating the use of approximate inference. We propose EM-NeSy which casts probabilistic NeSy learning as an instance of the Expectation-Maximization (EM) algorithm. In the expectation step, we compute the posterior over the neurally predicted symbols conditioned on the label via probabilistic inference. In the maximization step, we update the neural parameters based on this posterior using gradient descent only through the neural component. This formulation unlocks the full potential of the EM algorithm for NeSy learning. It allows NeSy to extend naturally to approximate reasoning without any additional modifications or differentiability requirements of the symbolic component. Furthermore, it recovers the standard end-to-end gradient-based NeSy setting under exact inference. Our experimental results demonstrate the scalability and computational efficiency of EM-NeSy.