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02.
bioRxiv (Bioinfo) 2026-06-11

Machine Learning-Guided Discovery of Bacterial-Selective Membrane-Active Compounds Reveals Mechanistic Bias in Antibiotic Training Datasets

The rise of antibiotic resistance necessitates the discovery of antibacterial compounds with novel mechanisms of action (MoAs). Recent machine learning approaches have shown promise in antibacterial compound discovery, but often identify derivatives of known antibiotic classes rather than mechanistically novel compounds. Previous approaches applied Tanimoto similarity filters at the end of screening pipelines, but this method has substantial drawbacks: Tanimoto similarity can be misleading in chemical space, and post-hoc filtering does not influence what activity models learn to prioritize. Here, we present a machine learning pipeline that addresses chemical novelty upfront by employing an XGBoost-based MoA classifier to explicitly prioritize compounds predicted to have mechanisms distinct from known antibiotic classes, combined with graph neural networks for antibacterial activity and toxicity prediction. Applied to the Zinc20 database, our approach successfully identified non-toxic antibacterial compounds structurally distinct from known antibiotics. Notably, the majority of these hits exhibited membrane-targeting activity with selectivity for bacterial cells over mammalian cells, suggesting potential for next-generation membrane-active antibiotics. However, we did not identify compounds with novel protein targets. Systematic analysis revealed that this limitation stems from mechanistic bias in training data rather than model architecture. Specifically, our activity model learned to preferentially score compounds similar to specific groups in the training data, thus overrepresenting certain MoA classes including membrane-active compounds. Even substantial model architecture and training data enhancements did not overcome this constraint. Our findings demonstrate that the primary bottleneck for discovering mechanistically novel antibiotics is the scarcity of diverse, mechanistically-annotated training data. This work provides both a methodological framework for mechanism-aware screening and critical insights into data requirements for genuinely novel antibiotic discovery.

03.
arXiv (CS.LG) 2026-06-17

Fast Nonparametric Conditional Independence Testing via Two-Stage Regression

arXiv:2606.18011v1 Announce Type: cross Abstract: Constraint-based causal discovery relies on repeated conditional independence tests, but fast nonparametric tests often sacrifice calibration, especially when variables depend on the conditioning set through nonlinear relationships. We introduce BLITZ (Broad-to-Local Independence Testing via residualiZation), a nonparametric conditional independence test designed to run well under a second while maintaining the accuracy needed for the thousands of queries performed by constraint-based causal discovery algorithms. BLITZ first removes broad smooth dependence on the conditioning set using low-order polynomial regression, then applies a small nonlinear feature map and residualizes those features with shallow tree regressions. The resulting statistic tests residual cross-covariance, with a moment-matched chi-square approximation to the null distribution. We show theoretically that the two-stage design reduces the effective complexity faced by the tree residualizers, allowing shallow trees to control residual conditional-mean bias while avoiding excessive overfitting. In simulations, BLITZ provides better null calibration than fast kernel, random-feature, and regression-based competitors while remaining among the fastest methods tested. In causal discovery experiments on synthetic graphs and flow-cytometry data, BLITZ yields more reliable endpoint orientations among retained adjacencies and competitive structural recovery. These results suggest that broad-to-local residualization is a practical route to calibrated, scalable nonparametric conditional independence testing for causal discovery.

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

Building Social World Models with Large Language Models

Understanding and predicting how social beliefs evolve in response to events – from policy changes to scientific breakthroughs – remains a fundamental challenge in social science. Given LLMs' commonsense knowledge and social intelligence, we ask: Can LLMs model the dynamics of social beliefs following social events? In this work, we introduce the concept of the Social World Model (SWM), a general framework designed to capture how social beliefs evolve in response to major events. SWM learns state-transition functions for social beliefs by mining temporal patterns in social data and optimizing the evidence lower bound, without the need for explicit human annotations linking events to belief shifts, or for expensive census data. To evaluate SWM, we introduce a benchmark, SWM-bench, derived from real-world prediction markets, specifically Kalshi and Polymarket. SWM-bench includes over 12k data points for social belief prediction tasks spanning diverse domains such as politics, finance, and cryptocurrency. Our experimental results show that SWM significantly outperforms time-series foundation models, achieving state-of-the-art results on Kalshi data and demonstrating competitive performance on Polymarket data, while offering interpretable insights into the underlying mechanisms of social belief dynamics.

05.
arXiv (CS.AI) 2026-06-17

Adaptive Domain Models: Bayesian Evolution, Warm Rotation, and Principled Training for Geometric and Neuromorphic AI

arXiv:2603.18104v5 Announce Type: replace Abstract: Prevailing AI training assumes reverse-mode automatic differentiation over IEEE-754 arithmetic. The memory overhead of training relative to inference, optimizer complexity, and structural degradation of geometric properties through training are consequences of this arithmetic substrate. This paper develops an alternative training architecture grounded in three prior results: the Dimensional Type System and Deterministic Memory Management framework (Haynes 2026), which establishes stack-eligible gradient allocation and exact quire accumulation as design-time verifiable properties; the Program Hypergraph (Haynes 2026), which establishes grade preservation through geometric algebra computations as a type-level invariant; and the b-posit bounded-regime design (Jonnalagadda et al. 2025), which makes posit arithmetic tractable across hardware targets conventionally considered inference-only. Their composition enables depth-independent training memory bounded to approximately twice the inference footprint, grade-preserving weight updates, and exact gradient accumulation, applicable uniformly to loss-function-optimized and spike-timing-dependent neuromorphic models. We introduce *Bayesian distillation*, a mechanism by which the latent prior structure of a general-purpose model is extracted through the ADM training regime, resolving the data-scarcity bootstrapping problem for domain-specific training. For deployment, we introduce *warm rotation*, an operational pattern in which an updated model transitions into an active inference pathway without service interruption, with correctness formalized through PHG certificates and signed version records. The result is a class of domain-specific AI systems that are smaller and more precise than general-purpose models, continuously adaptive, verifiably correct with respect to the physical structure of their domains, and initializable from existing models.

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

Adaptive Inference-Time Scaling via Early-Step Latent Verification for Image Editing

Instruction-based image editing has made notable progress with recent advances in generative models. However, the quality of the edited result is still influenced by the randomly sampled initial noise, particularly in complex editing scenarios. An unsuitable initial noise may lead to unsatisfactory editing results. Recent inference-time scaling methods address this issue by sampling multiple initial noises and selecting better candidates. Nevertheless, most of them follow a decode-then-verify scheme which introduces an efficiency-accuracy trade-off. When decoding is performed after limited inference steps, the decoded images often remain too noisy for reliable assessment, whereas sufficiently denoised images require much higher computational cost. To address this issue, we propose VeriLatent, a plug-and-play adaptive inference-time scaling framework with early-step latent verification for image editing. Specifically, we propose a novel verifier that scores each initial noise through a latent-space editing activation map at an early stage. It identifies promising candidates by assessing whether they can induce an effective edit in the correct region. This enables efficient early pruning without decoding latents into images. Building on this, we further develop an adaptive search strategy for inference-time scaling. It allocates inference budgets according to editing difficulty, thereby reducing the number of function evaluations (NFE). Extensive experiments on multiple benchmarks and different base models demonstrate that VeriLatent consistently improves both editing performance and inference-time scaling efficiency.

07.
arXiv (quant-ph) 2026-06-19

General circuit mapping algorithm for neutral atom quantum computers

arXiv:2606.20503v1 Announce Type: new Abstract: Neutral atom quantum computers (NAQC) are emerging as a promising, scalable quantum computing platform because of their long qubit coherence, flexible qubit arrangement, and multiqubit gate capabilities. However, circuit execution often requires physically moving qubits, making compilation a critical optimization challenge. We propose a circuit independent mathematical framework built on graph-theoretic combinatorial optimization that determines the minimal number of required qubit transfers. This model captures spatial constraints specific to NAQC platforms with zone-limited gate operations and multi-qubit gates. From this framework, we encode the qubit mapping problem as a nonlinear integer program and solve it using a genetic algorithm, enabling trade-offs between minimizing the total traveled distance and the number of parallel transfer operations. Compared to the state-of-the-art scalable compiler for zoned architectures, our approach consistently finds fewer transfers. Depending on the optimization focus, our method produces shorter traveled distances or fewer parallel transfer operations. This work provides both theoretical guaranties and a practical tool for efficient, architecture-aware quantum circuit compilation. As a result, practitioners can generate hardware-aware mappings that reduce movement-induced errors and better exploit atom transfer parallelism, directly improving execution efficiency on NAQC devices.

08.
arXiv (math.PR) 2026-06-11

On the spatio-temporal increments of nonlinear parabolic SPDEs and the open KPZ equation

arXiv:2508.05032v3 Announce Type: replace Abstract: We study spatio-temporal increments of the solutions to nonlinear parabolic SPDEs on a bounded interval with Dirichlet, Neumann, or Robin boundary conditions. We identify the exact local and uniform spatio-temporal moduli of continuity for the sample functions of the solutions. These moduli of continuity results imply the existence of random points in space-time at which spatio-temporal oscillations are exceptionally large. We also establish small-ball probability estimates and Chung-type laws of the iterated logarithm for spatio-temporal increments. Our method yields extension of some of these results to the open KPZ equation on the unit interval with inhomogeneous Neumann boundary conditions. Our key ingredients include new strong local non-determinism results for linear stochastic heat equation under various types of boundary conditions, and detailed estimates for the errors in linearization of spatio-temporal increments of the solution to the nonlinear equation.

09.
arXiv (quant-ph) 2026-06-19

Effective discrete-modulated continuous variable QKD under general attacks

arXiv:2606.20346v1 Announce Type: new Abstract: Continuous variable quantum key distribution via discrete modulations ensures information-theoretic security using standard telecom technologies, providing affordable and scalable quantum communications with simplified classical postprocessing. However, existing security proofs against general attacks often rely on restrictive assumptions, such as a bounded dimension for coherent states, or require impractically large block sizes. In this work, we develop a finite-size security analysis that removes these limitations while incorporating realistic experimental features. Our approach combines the dimension reduction technique, a security proof based on the marginal-constrained entropy accumulation, and a trusted detector model accounting for the receiver imperfections. We report positive key rates in the finite-size regime for relevant block sizes of the order of $10^8$. These results contribute to narrowing the gap between theoretical security proofs and practical implementations of discrete-modulated continuous variable quantum key distribution protocols.

10.
arXiv (CS.CL) 2026-06-19

LedgerAgent: Structured State for Policy-Adherent Tool-Calling Agents

Policy-adherent tool-calling agents in customer-service domains must maintain task states across turns while calling tools and obeying domain policies. Task states consist of relevant facts, identifiers, constraints, and conditions observed through user interaction and tool calls. In standard agents, task states are not represented separately. Observations, tool returns, and policy instructions are placed in the prompt, leaving agents to reconstruct the relevant states from the prompt each time they decide what to do next. This design makes state management implicit, creating two common failure modes. An agent may retrieve the right facts but later ground its decision in stale, missing, or incorrect information; and a syntactically valid tool call may still violate a domain policy that depends on the current task state. We introduce \textsc{LedgerAgent}, an inference-time method for tool-calling agents that maintains observed task states in a separate ledger and renders the states into the prompt. The ledger is also used to check state-dependent policy constraints before environment-changing tool calls are executed, blocking policy violations. Across four customer-service domains and a mixed panel of open- and closed-weight models, \textsc{LedgerAgent} improves average pass\textasciicircum{}k over a standard prompt-based tool-calling approach, with the largest gains under stricter multi-trial consistency metrics.

11.
bioRxiv (Bioinfo) 2026-06-12

Evaluating cell type annotations in single-cell omics in the absence of ground truth

Accurate cell type annotation is essential for single-cell transcriptomics, directly shaping downstream analyses and biological interpretations. Yet, objective evaluation of annotation quality remains a major challenge. Here, we argue that a cell type or cell state label has practical utility only if it captures a molecular pattern that is reproducible across biological replicates. Based on this principle, we introduce inter-sample consistency (ISC), a quantitative framework to assess annotation quality in single-cell RNA-seq datasets. Unlike existing cluster validation approaches, ISC distinguishes annotations that generalize across samples and individuals from those driven by technical or unwanted variation, thereby providing principled criteria for annotation quality and transferability. When applied to published single-cell atlases, ISC reveals widespread reproducibility gaps and provides actionable guidance for repairing inconsistent annotations. Notably, ISC enables benchmarking of automated cell type annotation tools even when ground-truth labels are unavailable, providing interpretable metrics to guide their development and evaluation. Implemented as the scTypeEval Bioconductor package, this framework offers a broadly applicable resource for evaluating and improving cell type annotations in single-cell RNA-seq experiments.

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

RIDGECUT: Learning Graph Partitioning with Rings and Wedges

arXiv:2505.13986v4 Announce Type: replace-cross Abstract: Reinforcement learning (RL) has shown promise for combinatorial optimization problems on graphs by learning heuristics that generalize across instances. However, effectively incorporating domain knowledge into RL frameworks for graph partitioning remains challenging, as existing approaches typically rely on unconstrained node-level actions that lead to large action spaces and inefficient exploration. In this paper, we propose RidgeCut, an RL framework that constrains the action space to enforce structure-aware partitioning in the Normalized Cut problem. Using transportation networks as a motivating example, we introduce a novel concept that leverages domain knowledge about urban road topology – where natural partitions often take the form of concentric rings and radial wedges. By transforming the graph into linear or circular representations, our method enables the use of transformer-based policies and efficient learning via Proximal Policy Optimization. The resulting partitions from RidgeCut are not only aligned with expected spatial layouts but also achieve lower normalized cuts compared to existing methods. Experimental results on synthetic and real-world traffic graphs demonstrate that RidgeCut consistently outperforms existing methods while exhibiting strong inductive generalization across graph sizes. Although motivated by road networks, RidgeCut provides a general mechanism for embedding structural priors into RL frameworks for graph partitioning.

13.
arXiv (CS.LG) 2026-06-15

Stability of a Generalized Debiased Lasso with Applications to Resampling-Based Variable Selection

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arXiv:2405.03063v3 Announce Type: replace-cross Abstract: We propose a generalized debiased Lasso estimator based on a stability principle. When a single column of the design matrix is perturbed, the estimator admits a simple update formula that can be computed from the original solution. Under sub-Gaussian designs with well-conditioned covariance, this approximation is asymptotically accurate for all but a vanishing fraction of coordinates in the proportional growth regime. The proof relies on concentration and anti-concentration arguments to control error terms and sign changes. In contrast, establishing comparable distributional limits (e.g., Gaussianity) under similar assumptions remains open. As an application, we show that the approximation significantly reduces the computational cost of resampling-based variable selection procedures, including the conditional randomization test and a local knockoff filter.

14.
arXiv (CS.CV) 2026-06-19

iSAGE: A Human-in-the-Loop Framework for Remote Sensing Semantic Segmentation via Sparse Point Supervision

Semantic segmentation in remote sensing requires costly pixel-level annotations, and nearly every problem demands a new dataset since models rarely transfer across sensors, platforms, or geographies. Existing human-in-the-loop frameworks expand sparse clicks into dense supervision via auxiliary machinery (pseudo-labels, propagation, CRFs, foundation-model prompts, auxiliary heads), all operating on the model's predictive distribution. A confidently wrong pixel is indistinguishable from a confidently correct one in that distribution by construction, so no rule reading it can separate the two; the distinguishing signal is external to the model. This paper hypothesizes that expert clicks targeting confident model errors, not arbitrary pixels, suffice to match dense supervision, with no expansion machinery. iSAGE (Iterative Sparse Annotation Guided by Expert) realizes this hypothesis on an integrated open-source platform, where an error-weighted loss amplifies the gradient at each click and the annotation record itself is the dataset, extensible, correctable, and auditable. Experiments use a minimum-effort regime: at most one labeled pixel per class per frame. On BsB Aerial, iSAGE recovers 97.2% of dense supervision (74.79% mIoU on 0.040% of pixels) with contrasting class dynamics: amorphous classes (permeable areas) saturate from the seed, while small classes (cars) require late-iteration effort. On ISPRS Vaihingen (external benchmark), iSAGE reaches 76.78% mIoU with 0.011% of pixels, matching the dense baseline (76.65%) and exceeding all published methods. Under the same pipeline, four output-reading mechanisms (oracle entropy across budgets 1–100x, pseudo-labels across thresholds 0.90–0.99, CRF-based propagation, uniform random) plateau 7.4 to 14.5 pp below iSAGE. Across 31 surveyed methods, iSAGE is the only iterative human-in-the-loop framework operating without auxiliary machinery.

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

Robustness Verification of Recurrent Neural Networks with Abstraction Refinement

arXiv:2606.12490v1 Announce Type: new Abstract: Certified local robustness verification for recurrent neural networks (RNNs) is challenging because approximation errors introduced by nonlinear relaxations can propagate through recurrent connections and accumulate over time. As a result, scalable linear bound propagation methods often become overly conservative and fail to certify inputs that are in fact robust, especially when many pre-activation intervals cross zero. We propose an abstraction-refinement framework for RNN verification that partitions such intervals to remove the dominant relaxation error: on each refined branch, ReLU becomes exact, and smooth activations such as tanh and sigmoid admit substantially tighter linear envelopes. To control the combinatorial cost of splitting in long sequences, we introduce a SHAP-guided timestep selection strategy that ranks hidden states by their contribution to the verification objective and refines only the most critical timesteps in temporal order. Experiments on CIFAR10 and MNIST stroke benchmarks demonstrate consistent improvements in verification success and robustness-margin tightness over abstraction-only baselines, while exposing clear runtime trade-offs between ReLU and tanh models.

16.
arXiv (CS.LG) 2026-06-15

Identifiable Markov Switching Models with Instantaneous Effects and Exponential Families

arXiv:2606.02231v2 Announce Type: replace-cross Abstract: Temporal systems often exhibit non-stationary behaviour, such as seasonal climate variation or glucose fluctuations in patients with type-1 diabetes. One way to model non-stationarity is through discrete latent regimes, i.e., stationary segments of time. Such systems induce a Markov Switching Model (MSM), a class of Hidden Markov Models with autoregressive dependencies among latent regimes and observed variables. Identifying latent regimes is challenging in the presence of frequent regime switches and nonlinear and non-Gaussian dynamics, particularly when there are instantaneous effects between the variables, e.g., due to slow rates of measurements. In this work, we establish the identifiability of both latent regimes and regime-dependent causal structures under temporal regime dependencies, nonlinear lagged and instantaneous effects, and independent noise from the exponential family. Our identifiability theory subsumes non-temporal mixtures of causal models. Furthermore, we introduce FlowMSM, a regime detection framework that can be paired with any stationary causal discovery method to recover regime-dependent causal structures. Experiments on synthetic benchmarks and a financial economics dataset demonstrate the effectiveness of our approach to detect latent regimes and discover causal structures from non-stationary time series.

17.
arXiv (CS.AI) 2026-06-18

Quality Perceptions and Intended Engagement in Response to AI-Generated and AI-Assisted News

arXiv:2409.03500v4 Announce Type: replace-cross Abstract: The increasing use of artificial intelligence (AI) in news production raises important questions about how audiences perceive and respond to AI-generated journalism. This preregistered survey experiment (N = 599, German-speaking Switzerland) examines (i) perceptions of article quality (measured as credibility, readability, and expertise) across news excerpts that were human-written, AI-assisted, or fully AI-generated, and (ii) self-reported intentions to engage following disclosure of AI involvement. Participants rated two short news excerpts before learning how they had been produced. Articles across all conditions were evaluated similarly in perceived quality. After disclosure, participants in the AI-assisted and AI-generated conditions reported a higher willingness to continue reading their assigned articles compared to the control group, but future willingness to read AI-generated news did not differ across conditions. Overall, the findings suggest that readers assess AI-generated and human-written news comparably in quality, while disclosure of AI use can momentarily increase curiosity or interest without yet changing longer-term reading intentions.

18.
arXiv (quant-ph) 2026-06-16

Quantum simulation of the Liouville equation in classical mechanics with discontinuous potential via Schrödingerization

arXiv:2606.15066v1 Announce Type: new Abstract: We develop quantum simulation algorithms for the Liouville equation of classical mechanics with discontinuous potential. Such discontinuities represent potential barriers at which classical particles undergo energy preserving transmission or reflection, and the resulting interface conditions must be incorporated into the numerical flux. We combine Hamiltonian-preserving schemes by Jin and Wen in Commun. Math. Sci. 3(3), 285-315 (2005) with the Schrödingerization method, which embeds the resulting nonunitary semi-discrete dynamics into a unitary Schrödinger type system in one additional auxiliary variable [arXiv:2212.14703, arXiv:2212.13969]. For one-, two-, and $n$-dimensional problems with grid aligned interfaces, we construct sparse matrix representations of the transmission and reflection fluxes using step and hat functions, derive the corresponding Hamiltonians of the Schrödingerized systems, and analyze their sparse-access query complexity. In the sparse-access oracle model, the resulting algorithms have a polynomial dependence on the inverse accuracy and avoid the exponential dependence on the phase-space dimension suffered by classical grid based Hamiltonian-preserving schemes, up to the cost of implementing the oracles and the postselection overhead. We also describe the postselected recovery of the physical solution state and the quantum readout of macroscopic observables such as density and averaged velocity through overlap estimation. Numerical experiments based on classical simulation of the Schrödingerized dynamics validate the proposed formulation and illustrate the correct transmission/reflection behavior at potential barriers.

19.
arXiv (quant-ph) 2026-06-11

Implementing Hamiltonian Renormalization Group Flow on Quantum Computers with VAPOR

arXiv:2606.11306v1 Announce Type: cross Abstract: While Hamiltonian Lattice Gauge Theory is gaining traction, today's limited numerical capacity leaves simulations affected by discretization errors. This motivates the implementation of renormalization group (RG) techniques to find discretization-error-free operators. To this end, we introduce VAPOR, a variational quantum algorithm that decomposes operators into Pauli strings, identifies RG flow orbits, and determines fixed points of a naively discretized operator. We illustrate this using a toy model of a kinematic operator in a symmetry-restricted SU(2) Yang-Mills theory.

20.
arXiv (CS.LG) 2026-06-12

Accelerating Speculative Diffusions via Block Verification

arXiv:2606.13426v1 Announce Type: new Abstract: Speculative decoding speeds up LLM inference by using a draft model to generate tokens, with an acceptance-rejection scheme that ensures that the output matches the target distribution. Adapting this to continuous diffusions is difficult because speculative sampling requires drawing from a residual distribution. While straightforward in discrete spaces, efficiently sampling this residual in continuous space is non-trivial. Consequently, existing diffusion adaptations either use computationally inefficient sampling techniques or rely on an alternative scheme. In this work, we introduce a novel scheme that efficiently implements the original speculative sampling mechanism for diffusion models. Our approach offers a critical advantage over current methods: it enables us to adapt block verification from LLMs to diffusions – which provably improves the acceptance rate of drafts. Furthermore, we formalize and analyze the Free Drafter, a heuristic self-speculative drafter for diffusions that requires no training. By enabling block verification, our Free Drafter yields up to a 6.3% speedup over existing speculative methods with no additional training and negligible overhead beyond the existing parallel verification pass.

21.
arXiv (CS.LG) 2026-06-17

Dropout Neural Network Training Viewed from a Percolation Perspective

arXiv:2512.13853v2 Announce Type: replace Abstract: In this work, we investigate the existence and effect of percolation in training deep Neural Networks (NNs) with dropout. Dropout methods are regularisation techniques for training NNs, first introduced by G. Hinton et al. (2012). These methods temporarily remove connections in the NN, randomly at each stage of training, and update the remaining subnetwork with Stochastic Gradient Descent (SGD). The process of removing connections from a network at random is similar to percolation, a paradigm model of statistical physics. If dropout were to remove enough connections such that there is no path between the input and output of the NN, then the NN could not make predictions informed by the data. We study new percolation models that mimic dropout in NNs and characterise the relationship between network topology and this path problem. The theory shows the existence of a percolative effect in dropout. We also show that this percolative effect can cause a breakdown when training NNs without biases with dropout; and we argue heuristically that this breakdown extends to NNs with biases.

22.
arXiv (CS.AI) 2026-06-11

A Physics-Inspired Optimizer: Velocity Regularized Adam

arXiv:2505.13196v3 Announce Type: replace-cross Abstract: We introduce Velocity-Regularized Adam (VRAdam), a physics-inspired optimizer for training deep neural networks that draws on ideas from quartic terms for kinetic energy with its stabilizing effects on various system dynamics. Previous algorithms, including the ubiquitous Adam, operate at the so-called adaptive edge of stability regime during training, leading to rapid oscillations and slowed convergence of loss. However, VRAdam adds a higher order penalty on the learning rate based on the velocity such that the algorithm automatically slows down whenever weight updates become large. In practice, we observe that the effective dynamic learning rate shrinks in high-velocity regimes, and damping oscillations. By combining this velocity-based regularizer for global damping with per-parameter scaling of Adam, we create a powerful hybrid optimizer. For this optimizer, we provide rigorous theoretical analysis of operation at the edge of stability from a physical and control perspective for the momentum. Furthermore, we derive convergence bounds with the rate $\mathcal{O}(\ln(N)/\sqrt{N})$ for a stochastic non convex objective under mild assumptions. We demonstrate that VRAdam exceeds the performance against standard optimizers including AdamW. We benchmark various tasks such as image classification, language modeling, and generative modeling using diverse architectures and training methodologies including Convolutional Neural Networks (CNNs), Transformers, and GFlowNets.

23.
arXiv (CS.AI) 2026-06-15

Korzhinskii-Net: Physics-Informed Neural Network for Sub-Surface Mineral Prospectivity Modelling

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arXiv:2606.13695v1 Announce Type: cross Abstract: Mineral prospectivity modelling (MPM) underpins exploration economics, yet most operational pipelines reduce to data-driven classifiers trained on shallow surface proxies. Such models are blind to the subsurface physics that actually localises ore: heat advection, fluid flow, and lithology-dependent precipitation. We present Korzhinskii-Net, a 2-D radial physics-informed neural network (PINN) that couples Darcy flow, advective-diffusive heat transport, and a softplus-saturated reaction rate into a single differentiable forward model, weakly supervised by surface and remote-sensing proxies. The network is named after Dmitri S. Korzhinskii (1899-1985), whose theory of infiltration metasomatism provides the physical scaffold. We evaluate Korzhinskii-Net on five ore provinces spanning four commodity classes – Norilsk (Ni-Cu-PGE), Pechenga (Ni-Cu sulphide), Udokan (sandstone-hosted Cu), Sukhoi Log (orogenic Au), and Mirny (kimberlitic diamond) – under a fair, leakage-controlled 5-fold cross-validation protocol with hard ring-shaped negatives. Korzhinskii-Net attains a mean PR-AUC of 0.885 versus 0.281 for the strongest classical baseline (gradient boosting), and a mean fractional rank of 0.019 versus 0.413. The improvement is consistent across all five provinces and four commodity systems, suggesting that physics-informed differentiable simulators, even when constrained only by global open-data proxies, can recover localisation patterns that pure feature-based learners systematically miss. We release the full pipeline and evaluation harness as open source.

24.
arXiv (CS.AI) 2026-06-16

From Overload to Convergence: Supporting Multi-Issue Human-AI Negotiation with Bayesian Visualization

arXiv:2603.22766v2 Announce Type: replace-cross Abstract: As AI systems increasingly mediate negotiations, understanding how the number of negotiated issues impacts human performance is crucial for maintaining human agency. We designed a human-AI negotiation case study in a realistic property rental scenario, varying the number of negotiated issues; empirical findings show that without support, performance stays stable up to three issues but declines as additional issues increase cognitive load. To address this, we introduce a novel uncertainty-based visualization driven by Bayesian estimation of agreement probability. It shows how the space of mutually acceptable agreements narrows as negotiation progresses, helping users identify promising options. In a within-subjects experiment (N=32), it improved human outcomes and efficiency, preserved human control, and avoided redistributing value. Our findings surface practical limits on the complexity people can manage in human-AI negotiation, advance theory on human performance in complex negotiations, and offer validated design guidance for interactive systems.

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

System Report for CCL25-Eval Task 5: New Dataset and LoRA-Fine-Tuned Qwen2.5

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Recently, large language models (LLMs) have achieved promising progress in the fields of classical Chinese translation and the generation of classical poetry. However, domain-specific research on precise translation and affective-semantic understanding of classical poetry remains limited. The main challenge is that most studies treat the poetic appreciation task as a general-domain problem, neglecting the distinctive features of poetic appreciation, while high-quality and domain-specific datasets are extremely limited. To address this limitation, we decompose the task into three subtasks: term interpretation, semantic interpretation, and emotional inference. Based on multiple open-source datasets, we perform data cleansing and alignment to construct the Classical Chinese Poetry Instruction Pair Dataset (CCPoetry-49K), which comprises 49,404 high-quality instruction-response pairs explicitly optimized for this domain. We then propose a domain-specialized LLM, called PoetryQwen, by applying Low-Rank Adaptation (LoRA) to fine-tune the Qwen2.5-14B model. Experimental results on the CCL25-Eval Task 5 benchmark demonstrate that PoetryQwen achieves a score of 0.757, representing a 9.7% improvement over the Qwen2.5-14B-Instruct baseline (0.690). These findings clearly indicate that PoetryQwen significantly enhances performance in precise translation and emotional understanding of classical poetry. We present new dataset and methodological considerations intended to support the domain-specific optimization of LLMs.