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01.
arXiv (CS.LG) 2026-06-11

Integral Formulation of QENDy for Robust Nonlinear System Identification

arXiv:2606.11629v1 Announce Type: cross Abstract: This manuscript proposes an integral formulation of the newly defined quadratic embedding method for identifying nonlinear systems (QENDy). In the original algorithm, trajectory data points along with their time derivatives are used. Methods for calculating time derivatives make the algorithm sensitive to noise. Our integral formulation does not use the time derivatives. This results in a more robust method to learn the dynamics.

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

Low-Energy Reduced RISC-V Instruction Subset Processor for Tsetlin Machine Inference at the Edge

arXiv:2606.19964v1 Announce Type: new Abstract: Tsetlin Machine (TM) is a logic-based machine learning approach that relies on simple bitwise operations and finite-state automata, which makes it attractive for edge AI deployments. Recent work has focused on co-processor and accelerator designs based on Tsetlin Machines (TMs). Although these designs achieve high performance, they typically depend on tightly coupled interfaces, microcode-style programming, and external host processors, limiting flexibility and ease of programming. In this work, we present a domain-specific RISC-V microprocessor architecture and design flow tailored for TM inference. Leveraging the modular structure of RISC-V, we design a reduced instruction subset processor that retains programmability while targeting improved performance and lower energy consumption for TM workloads. Instruction profiling is employed to guide instruction reduction, followed by datapath and control path simplifications tailored to TM inference. Both the baseline RV32IM core and the proposed reduced core are evaluated across multiple datasets and compared with Binarized Neural Networks (BNNs), which serve as a hardware-efficient baseline due to their reliance on bitwise operations during inference. Results show that TM achieves comparable or higher accuracy (e.g., up to 88.18% on CIFAR-2 compared to 60.0% for BNN) while reducing execution time by up to 98% across multiple datasets. Furthermore, the proposed design achieves an average $29.7\times$ reduction in energy consumption, demonstrating its effectiveness for programmable and efficient edge AI systems.

03.
arXiv (CS.CV) 2026-06-11

Reason, Then Re-reason: Cross-view Revisiting Improves Spatial Reasoning

Spatial reasoning from egocentric videos is inherently challenging because the observable evidence is constrained by the camera trajectory. Existing methods rely on single-turn inference, forcing models to resolve geometric ambiguity through semantic priors rather than verifiable evidence. We argue that spatial reasoning should be revisitable: conclusions formed under limited evidence should remain open to revision when complementary viewpoints become available. Building on this insight, we propose Reason, then Re-reason (ReRe), a training-free, inference-time framework with two phases: in the Reason Phase, an MLLM forms a spatial hypothesis from the original video; in the Re-reason Phase, it verifies or revises the hypothesis by observing a synthesized novel-view video. To enable effective cross-view revisiting, we design a Geometry-to-Video pipeline that renders strategically complementary novel views from predicted 3D geometry. These views feature an elevated, oblique perspective with scene-spanning coverage, while preserving the MLLM's native video interface without architectural modifications. Extensive evaluations on VSI-Bench and STI-Bench demonstrate that ReRe substantially boosts open-source MLLMs to rival proprietary state-of-the-art performance. Project page: https://zhenjiemao.github.io/ReRe/

04.
arXiv (quant-ph) 2026-06-19

Majorana bound states in a hybrid Kitaev ladder with long-range pairing

arXiv:2606.19963v1 Announce Type: new Abstract: We investigate an inter-leg coupled hybrid Kitaev ladder composed of two parallel superconducting chains with distinct pairing interactions. The upper chain of the ladder hosts conventional $p$-wave pairing, while the lower chain exhibits long-range pairing that decays algebraically with distance. We demonstrate that the mutual influence of long-range pairing exponent, chemical potential, and inter-leg coupling strength gives rise to a rich topological phase diagram characterized by multiple Majorana zero modes and massive Dirac modes. In particular, we show that the inter-leg coupling renormalizes the effective energy scales, leading to a systematic shift of the topological phase boundaries and enabling controlled tuning of the Majorana modes. Furthermore, we identify a transition from a two Majorana zero mode phase to a phase encapsulating four Majorana zero modes, as the long-range pairing exponent is varied. This transition is accompanied by a crossover regime in which Majorana zero modes coexist with massive Dirac modes, reflecting hybridization between edge and bulk excitations. This ladder thus provides a minimal and attractive platform for realizing the impact of a long-range pairing on topological phases. Our results highlight the potential of long-range hybrid systems for engineering tunable topological states relevant for quantum information applications.

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

STAR-NT: Spatiotemporal Acceleration of Real-Time Neural Transparency Rendering

arXiv:2606.16747v1 Announce Type: cross Abstract: Neural order-independent transparency delivers high-quality rendering of overlapping transparent surfaces, but its geometry passes and network input generation remain costly, particularly on mobile and legacy hardware. We present a spatiotemporal acceleration framework that exploits spatial and temporal coherence to reduce this overhead while preserving visual quality. Spatially, we use adaptive quadtree-based screen-space subdivision to scale geometry pass resolution according to local color variance. Temporally, selected frames reuse the previous transparency result through depth-based reprojection instead of full rendering. Together, these optimizations reduce rendering cost and integrate efficiently into existing real-time rendering pipelines.

06.
arXiv (math.PR) 2026-06-15

Sectional Curvature for Kantorovich-Wasserstein and Hellinger-Kantorovich Geometries

arXiv:2606.14318v1 Announce Type: cross Abstract: We derive an explicit formula for the sectional curvature of the space ${\cal M}(M)$ of finite measures on a Riemannian manifold M. The space ${\cal M}(M)$ is equipped with the Hellinger-Kantorovich metric $HK$. Even in the case M=R^n, the curvature is comprised of two parts: the `lifted part' is negative, and the `twisted part' is positive. It will be analyzed in detail for the multidimensional torus. Our general approach to sectional curvature in geodesic spaces also leads to new insights into the curvature of the space $P_2(M)$ of probability measures on M equipped with the Kantorovich-Wasserstein metric $W_2$.

07.
arXiv (CS.LG) 2026-06-15

IntSeqBERT: Learning Arithmetic Structure in OEIS via Modulo-Spectrum Embeddings

arXiv:2603.05556v2 Announce Type: replace Abstract: Integer sequences in the OEIS span values from single-digit constants to astronomical factorials and exponentials, making prediction challenging for standard tokenised models that cannot handle out-of-vocabulary values or exploit periodic arithmetic structure. We present IntSeqBERT, a dual-stream Transformer encoder for masked integer-sequence modelling on OEIS. Each sequence element is encoded along two complementary axes: a continuous log-scale magnitude embedding and sin/cos modulo embeddings for 100 residues (moduli $2$–$101$), fused via FiLM. Three prediction heads (magnitude regression, sign classification, and modulo prediction for 100 moduli) are trained jointly on 274,705 OEIS sequences. At the Large scale (91.5M parameters), IntSeqBERT achieves 95.85% magnitude accuracy and 50.38% Mean Modulo Accuracy (MMA) on the test set, outperforming a standard tokenised Transformer baseline by $+8.9$ pt and $+4.5$ pt, respectively. An ablation removing the modulo stream confirms it accounts for $+15.2$ pt of the MMA gain and contributes an additional $+6.2$ pt to magnitude accuracy. A probabilistic Chinese Remainder Theorem (CRT)-based Solver converts the model's predictions into concrete integers, yielding a 7.4-fold improvement in next-term prediction over the tokenised-Transformer baseline (Top-1: 19.09% vs. 2.59%). Modulo spectrum analysis reveals a strong negative correlation between Normalised Information Gain (NIG) and Euler's totient ratio $\varphi(m)/m$ ($r = -0.851$, $p < 10^{-28}$), providing empirical evidence that composite moduli capture OEIS arithmetic structure more efficiently via CRT aggregation.

08.
arXiv (CS.LG) 2026-06-25

Estimating condition number with Graph Neural Networks

arXiv:2603.10277v3 Announce Type: replace Abstract: In this paper, we propose a fast method for estimating the condition number of sparse matrices using graph neural networks (GNNs). For efficient deployment of GNNs, we introduce a graph feature construction with $\mathrm{O}(\mathrm{nnz} + n)$ complexity, where $\mathrm{nnz}$ is the number of non-zero elements in the matrix and $n$ denotes the matrix dimension. We propose two schemes for estimating the matrix condition number using GNNs; One follows by decomposing the condition number and predicts the relatively more computationally intensive part $\|\mathbf{A}^{-1}\|$, without explicitly forming the inverse, while the other is to predict the whole condition number $\kappa$. Our approach can be extended to an arbitrary norm. Extensive experiments are conducted for the estimation of the 1-norm and 2-norm condition numbers, which show that our method achieves a significant speedup over the traditional numerical estimation methods. Our software for GNN condition number estimator is made publicly available at https://github.com/inEXASCALE/sparse-kappa.

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

NeuroClaw Technical Report

Agentic artificial intelligence systems promise to accelerate scientific workflows, but neuroimaging poses unique challenges: heterogeneous modalities (sMRI, fMRI, dMRI, EEG), long multi-stage pipelines, and persistent reproducibility risks. To address this gap, we present NeuroClaw, a domain-specialized multi-agent research assistant for executable and reproducible neuroimaging research. NeuroClaw operates directly on raw neuroimaging data across formats and modalities, grounding decisions in dataset semantics and BIDS metadata so users need not prepare curated inputs or bespoke model code. The platform combines harness engineering with end-to-end environment management, including pinned Python environments, Docker support, automated installers for common neuroimaging tools, and GPU configuration. In practice, this layer emphasizes checkpointing, post-execution verification, structured audit traces, and controlled runtime setup, making toolchains more transparent while improving reproducibility and auditability. A three-tier skill/agent hierarchy separates user-facing interaction, high-level orchestration, and low-level tool skills to decompose complex workflows into safe, reusable units. Alongside the NeuroClaw framework, we introduce NeuroBench, a system-level benchmark for executability, artifact validity, and reproducibility readiness. Across multiple multimodal LLMs, NeuroClaw-enabled runs yield consistent and substantial score improvements compared with direct agent invocation. Project homepage: https://cuhk-aim-group.github.io/NeuroClaw/index.html

10.
arXiv (quant-ph) 2026-06-17

Probes of chaos over the Clifford group and approach to Haar values

arXiv:2603.29695v3 Announce Type: replace Abstract: Chaotic behavior of quantum systems can be characterized by the adherence of the expectation values of given probes to moments of the Haar distribution. In this work, we analyze the behavior of several probes of chaos using a technique known as Isospectral Twirling [1]. This consists in fixing the spectrum of the Hamiltonian and picking its eigenvectors at random. Here, we study the transition from stabilizer bases to random bases according to the Haar measure by T-doped random quantum circuits. We then compute the average value of the probes over ensembles of random spectra from Random Matrix Theory, the Gaussian Diagonal Ensemble and the Gaussian Unitary Ensemble, associated with non-chaotic and chaotic behavior respectively. We also study the behavior of such probes over the Toric Code Hamiltonian.

11.
Nature (Science) 2026-06-23

Daily briefing: NASA to launch satellite-rescue mission

Authors:

The space agency will lift the orbit of a falling satellite by around 200 kilometres. Plus, Europe’s efforts to take on the US and China as a science superpower and the narcissism of bosses who want to nix remote working. The space agency will lift the orbit of a falling satellite by around 200 kilometres. Plus, Europe’s efforts to take on the US and China as a science superpower and the narcissism of bosses who want to nix remote working.

12.
medRxiv (Medicine) 2026-06-23

What Is the Optimal Timing and Frequency of Workload-Matched Postprandial Physical Activity Breaks? A Randomized Controlled Crossover Study of Cardiometabolic and Cognitive Responses During Sedentary Behavior

Purpose Postprandial sedentary behavior is associated with negative health effects and constitutes a large part of daily life in modern society. This study investigated how the timing of physical activity after eating influences glucose levels, cerebral and muscle oxygenation, cognitive performance, and well-being during subsequent sitting. Methods In a four-armed randomized crossover trial, healthy adults consumed four standardized meals separated by 48-hour washout periods. Each meal was followed by 2 hours of sitting combined, in random order, with one of four interventions: (1) sitting only, (2) 15 minutes of moderate intensity cycling immediately after eating, (3) 15 minutes of cycling 20 minutes after eating, or (4) three workload-matched five-minute cycling bouts during sitting. Interstitial glucose (continuous glucose monitoring), cerebral and muscle oxygenation (Functional near infrared spectroscopy), cognitive performance (Stroop test), heart rate, blood pressure, and subjective ratings were assessed every 30 minutes. Data were analyzed using repeated-measures ANOVA. Results Twenty participants (mean age 27.1{+/-}10.3 years, 12 females) completed the study. Cycling immediately after eating reduced mean glucose levels during postprandial sitting, while both 15-minute cycling bouts increased cerebral oxygenation. All active conditions enhanced muscle oxygenation. Heart rate and arousal increased with delayed cycling and active breaks. No effects were observed for blood pressure, cognitive performance, focus, or well-being. Conclusion A short bout of physical activity immediately after eating reduces postprandial hyperglycemia and improves brain oxygenation during sitting, whereas delayed activity and brief breaks increase physiological activation without cognitive or perceptual benefits.

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

Audio-visual Contrastive Alignment for Diffusion-based Visual-conditioned Speech Enhancement

arXiv:2606.23712v1 Announce Type: cross Abstract: Audio-visual speech enhancement (AVSE) exploits visual cues such as lip movements to recover speech in noisy environments. Recent work introduced diffusion-based unsupervised AVSE, where a speech diffusion model conditioned on visual features via cross-attention is trained and used as a data-driven prior for posterior sampling-based speech enhancement. Despite promising performance over its audio-only counterpart, the impact of explicitly enforcing cross-modal alignment in the fusion remains unclear. In this work, we propose to augment the diffusion training objective with a contrastive audio-visual loss to encourage stronger use of visual information while keeping the posterior sampling framework unchanged. Experiments across matched and mismatched test data show consistent improvements in interference suppression, signal reconstruction, and perceptual quality, with the largest gains at low SNRs. Code is available at https://github.com/ cexauce/AV-CA-DiffUSE

14.
medRxiv (Medicine) 2026-06-18

Evaluating Deep-Learning Based Quantification of Breast Arterial Calcification on Mammography for Cardiovascular Risk Assessment

Purpose: To develop and evaluate a deep learning model for automated quantification of breast arterial calcification (BAC) on screening mammography and to assess whether AI-derived BAC burden predicts major adverse cardiovascular events (MACE) in women. Methods: In this retrospective study, 202,006 women who underwent screening mammography without history of MACE were included. A BAC segmentation model was trained on an expert-annotated dataset using a multi-task U-Net with a ResNet-18 encoder to detect and segment BAC. BAC burden was quantified as area (mm{superscript 2}) from model-generated masks using DICOM pixel spacing and categorized by tertiles into low, intermediate, and high. The PREVENT score and incident MACE were identified from electronic health records. Cox proportional hazards models were developed to evaluate AI-derived BAC burden and PREVENT score alone, and combined models for 5 - and 10-year cardiovascular risk prediction. Results: Among 202,006 women (mean age 54.8{+/-}11.7 years), 23.1% had AI-detected BAC, and 7,701 (3.8%) developed incident MACE during a median follow - up of 7.5 years. On the geographically held-out test set, the BAC model achieved an AUROC of 0.97, Dice score of 0.6678, and Pearson correlation of 0.961 between AI-derived and manually annotated BAC burden. BAC burden increased with age and was higher among women who developed MACE. Five - year MACE incidence increased across BAC categories from 1.5% in women without BAC to 6.9% in those with high BAC burden. BAC burden alone showed modest prediction of MACE, with 5-year and 10-year AUROCs of 0.661 and 0.650, respectively, while PREVENT achieved AUROCs of 0.781 and 0.771. Adding BAC to PREVENT produced minimal improvement in discrimination. Conclusion: Deep learning-based BAC quantification from routine mammography is feasible, accurate, and associated with future cardiovascular risk. Although BAC added little to PREVENT for overall discrimination, it may serve as a scalable opportunistic imaging biomarker to identify women at elevated cardiovascular risk and support preventive care.

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

GEMSS: A Variational Bayesian Method for Discovering Multiple Sparse Solutions in Classification and Regression Problems

arXiv:2602.08913v2 Announce Type: replace Abstract: High-dimensional, underdetermined and highly correlated systems are common in data science practice, especially when analyzing physical measurements. In such settings, feature selection poses a fundamental challenge because multiple distinct sparse subsets may explain the response equally well. Their identification is crucial not only for predictive modeling but also for generating domain-specific insights into the underlying mechanisms. Yet, conventional methods typically isolate a single solution, obscuring the full spectrum of plausible explanations. This work introduces GEMSS (Gaussian Ensemble for Multiple Sparse Solutions), a variational algorithm designed to simultaneously discover multiple, diverse sparse feature combinations. The method employs a structured spike-and-slab prior for sparsity, a mixture of Gaussians to approximate the intractable multimodal posterior, and a Jaccard-based penalty to further control solution diversity. A single objective function is optimized via stochastic gradient descent. The method is tested on 128 comprehensive experiments by a novel benchmarking framework designed to generate artificial problems with multiple sparse solutions of equal predictive properties. This allows us to measure the retrieval of ground truth features rather than only evaluating predictive performance – characteristics more fitting to our practical needs. A comparative analysis shows that GEMSS consistently outperforms five prominent feature selection methods adapted through the ALFESE framework. Finally, we demonstrate practical usability through 3 challenging real-world datasets from metabolomics and physical chemistry: GEMSS successfully isolates multiple distinct yet quality solutions. GEMSS is available as a PyPI package 'gemss'. The corresponding repository github.com/kat-er-ina/gemss/ includes the full codebase and a free, no-code application GEMSS Explorer.

16.
arXiv (CS.LG) 2026-06-18

P$^2$CE: Model-Agnostic Plausible Pareto-Optimal Counterfactual Explanations

arXiv:2606.18418v1 Announce Type: new Abstract: The increasing use of machine learning algorithms in social applications has raised concerns about fairness and transparency, leading to the development of counterfactual explanations. These explanations supports individuals to understand and potentially alter unfavorable decisions in areas such as loan applications, job selections, and more, by providing actionable changes to input features that would lead to a desired outcome. Existing methods often struggle to balance feasibility, plausibility, and computational efficiency. To address this, we introduce P$^2$CE, an algorithm for generating plausible Pareto-optimal counterfactual explanations, offering users a diverse set of optimal trade-offs between different notions of feasibility. P$^2$CE employs an auxiliary isolation forest outlier detector to ensure that explanations are in accordance with the data distribution and leverages SHAP values to obtain optimal results with short computing times, regardless of the underlying model. Our algorithm was empirically evaluated on three datasets, demonstrating superior performance in terms of both solution quality and computational efficiency compared to related techniques.

17.
arXiv (math.PR) 2026-06-16

Uniform integrability of the distance to the nearest leaf in random trees

arXiv:2606.15339v1 Announce Type: new Abstract: We study the distance from the root to the nearest leaf, the analogous quantity for a uniformly chosen vertex, and its protection number, in size-conditioned simply generated trees. We prove a uniform exponential tail bound for each of these quantities, valid for arbitrary offspring distributions. As a consequence, these random variables are uniformly integrable of every order. This yields convergence of all moments to those of the corresponding local limit. The argument is probabilistic and unified across the three quantities.

18.
arXiv (CS.LG) 2026-06-25

Evidence for feature-specific error correction in LLMs

arXiv:2606.24964v1 Announce Type: new Abstract: Understanding the features of large language models (LLMs) is a central goal of interpretability. LLMs are commonly assumed to use superposition to represent more features than they have dimensions. They may not only represent features in superposition but also perform computation in superposition. Theory predicts that computing in superposition requires error correction that privileges feature directions over generic ones, but this prediction has not been tested empirically. We propose an empirical test of error correction in LLMs based on activation perturbations. Perturbing residual-stream activations, we find that they are robust to small perturbations–forming activation plateaus consistent with error correction–but less robust along candidate feature directions ("pure" directions, constructed from contrastive prompt pairs) than along mixtures of two such directions, indicating that the pure directions are privileged. We quantify this privilegedness by modeling the perturbation effect as a function of the $L^p$-norm of its decomposition into feature components. For $p=2$ the response is a quadratic form with at most as many nonzero eigenvalues as the residual-stream dimension, which cannot privilege the many feature directions superposition requires. $p>2$ lifts this constraint and is consistent with feature-specific error correction. We find $p>2$ for contrastive, MELBO, and SAE-decoder directions, and $p\approx2$ for random and PCA directions (controls). These results replicate across Gemma-2-9B, Qwen3-1.7B, Llama-3.1-8B, Mistral-7B-v0.3, Aya-Expanse-8B, and Yi-1.5-9B. We further validate our method on a toy model of error correction with known ground-truth features, recovering $p>2$ for true feature directions, degrading toward $2$ as we rotate away from them.

19.
arXiv (CS.CL) 2026-06-24

MorfFlex: Handling Rich Morphology

We present MorfFlex, a morphological dictionary architecture suitable for languages with extensive regularity in both inflection and derivation. As the primary example of MorfFlex in use we introduce MorfFlex CZ, a morphological dictionary of Czech. It is distributed as a simple, unstructured list of triplets, however, its manually maintained, unpublished source files and conversion scripts encode a sophisticated system of inflectional and derivational patterns. These patterns dramatically reduce the otherwise enormous size of the dictionary, which currently contains over 100 million wordforms and more than 1 million lemmas. The MorfFlex CZ dictionary serves as an essential resource for ensuring the consistency of manual morphological annotation in the Prague Dependency Treebanks and underpins state-of-the-art automatic tools such as MorphoDiTa. In this paper, we focus on: (i) presenting an effective method for managing the rich morphological system within the dictionary, and (ii) demonstrating the utility of such a language resource for maintaining annotation consistency in corpora and supporting the development of advanced NLP applications.

20.
arXiv (CS.CV) 2026-06-25

Heterogeneous and Adept Snapshot Distillation for 3D Semantic Segmentation

Multi-modal fusion and multi-model ensembling are prevalent in enhancing the performance of 3D semantic segmentation. Despite the impressive performance, these methods either rely on auxiliary input signals or suffer from costly computational expense. To efficaciously enhance the segmentation performance without introducing intolerable costs, we propose to transfer the rich knowledge from the multi-modal model (i.e., point clouds and images) and multiple model experts to the point-cloudbased network through knowledge distillation. Specifically, we present Information-oriented Heterogeneous Distillation (IHD) to help the uni-modal model absorb the complementary knowledge from the multi-modal teacher. We design the Information-Oriented Filtering (IOF) strategy to select informative images from the continuous image sequence for multi-modal fusion. This practice can boost the performance of the multi-modal teacher, thus benefiting the learning of the student. Besides, as opposed to vanilla model ensembling that requires the separate training of each expert, we propose Adept Snapshot Distillation (ASD). ASD treats the freely available model snapshots generated during the training phase as multiple experts, which significantly reduces the training cost for model ensembling. For each expert teacher, it only provides supervision to the student in the class where it is adept. The resulting Heterogeneous and Adept Snapshot Knowledge Distillation, dubbed HAS-KD, attains state-of-the-art results on ScanNetV2 and S3DIS datasets. HAS-KD can be seamlessly integrated into contemporary 3D segmentation algorithms and bring considerable gains without introducing extra inference burdens. The code will be made publicly available upon publication.

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

Continual Adaptation for Pacific Indigenous Speech Recognition

Speech foundation models struggle with low-resource Pacific Indigenous languages because of severe data scarcity. Furthermore, full fine-tuning risks catastrophic forgetting. To address this gap, we present an empirical study adapting models to real-world Pacific datasets. We investigate the impact of data volume, adaptation strategies, and representational drift on speech foundation models for various Pacific languages. Additionally, we analyze a continual learning framework for sequential language acquisition. Empirical results across three distinct Pacific Indigenous languages demonstrate that adapting to these linguistically distant languages induces severe internal representational drift. Consequently, these models face a strict plasticity and stability dilemma. While LoRA adapts well initially, it suffers from catastrophic forgetting during sequential learning. Ultimately, this study highlights the urgent need for robust adaptation strategies tailored to underrepresented languages.

22.
bioRxiv (Bioinfo) 2026-06-22

Drug-Prot: A query system for statistical inference of drug effects and interactions in dynamic proteomic networks

Understanding drug effects and drug-drug interactions is essential for developing combination therapies. We present Drug-Prot, a computational framework that leverages large-scale perturbation proteomics to quantify causal drug effects, drug-drug interactions, and dynamic protein relationships. Using data from 63 single drugs and 59 drug combinations applied to 18 breast cancer cell lines at 6, 24, and 48 hours, Drug-Prot estimates drug effects on protein expression and reconstructs directed temporal protein dependency networks. The publicly available software enables targeted analyses of user-defined protein sets, substantially reducing the multiple-testing burden. Through an interactive web application, users obtain corrected p-values for single-drug and combination effects, directed temporal dependency networks, and downloadable results without requiring access to the underlying proteomic dataset. As a use case, we apply invariance-regularized Random Forests to triple-negative breast cancer cell lines to identify proteins associated with drug response. Querying these proteins in Drug-Prot reveals drug-specific and interaction effects at the protein-network level, illustrating how the framework links candidate causal protein features to actionable drug combinations.

23.
arXiv (CS.AI) 2026-06-18

Fully Geometric Multi-Hop Reasoning on Knowledge Graphs with Transitive Relations

arXiv:2505.12369v2 Announce Type: replace Abstract: Multi-hop logical reasoning on knowledge graphs requires faithfully mapping the logical semantics to latent space. Current geometric embedding methods show to be useful on this task by mapping entities to geometric regions and logical operations to latent transformations. While a geometric embedding can provide a direct interpretability framework for query answering, current methods have only leveraged the geometric construction of entities, failing to map logical operations to pure geometric transformations and, instead, using neural components to learn these operations. On the other hand, purely neural-based methods outperform geometric methods, but they lack interpretability in the latent space. We introduce GeometrE, a geometric embedding method for multi-hop reasoning, that maps every logical operation to a purely geometric operation in the latent space. Additionally, we introduce a transitive loss function and show that, unlike existing methods, it can preserve the logical rule for all a,b,c: r(a,b) and r(b,c) -> r(a,c). Our experiments show that GeometrE outperforms current state-of-the-art geometric methods and remains competitive with existing neural-based methods on standard benchmark datasets.

24.
arXiv (quant-ph) 2026-06-12

Hamiltonian-Aware ADAPT Variational Quantum Eigensolver for Molecular Ground-State Simulation

arXiv:2606.13118v1 Announce Type: new Abstract: Designing compact ansätze in Variational Quantum Eigensolver (VQE) is crucial for solving energetic problems of practical molecules on near-term quantum devices. However, existing Adaptive Derivative-Assembled Pseudo-Trotter (ADAPT) ansätze face two challenges: improper operator selection and accumulation of degraded operators. In this paper, we propose the Hamiltonian-Aware (HA) ADAPT-VQE algorithm to address these issues. First, we establish a novel excitation operator selection criterion. It breaks the local constraint of existing criteria by incorporating Hamiltonian information, prioritizes physically meaningful excitation operators, and incurs no extra classical or quantum computational overhead. Furthermore, we develop a problem-adaptive method for discriminating and pruning redundant excitation operators stemming from improper selection and inevitable degradation. This method balances redundant operator pruning and convergence guarantee, and is applicable to ansätze with arbitrary scales. Systematic numerical experiments on typical strongly correlated molecular systems demonstrate that our HA-ADAPT-VQE avoids energy plateaus and outperforms baseline algorithms in terms of energy error, ansatz size, and measurement cost. This work offers an efficient, robust ansatz construction paradigm, facilitating the development and practical deployment of large-scale VQE in quantum chemistry.

25.
bioRxiv (Bioinfo) 2026-06-19

Perturbation Curve models continuous transcriptional response trajectories and improves prediction of genetic modulations

Single-cell CRISPR screens, Perturb-seq, have revolutionized functional genomics by revealing biological causality. However, although perturbation assignments are typically represented as discrete labels, the cell-level effective strength of perturbations is often continuous and diverse. Current analytical frameworks struggle to decouple the variability in perturbation strength from the diversity of downstream responses. Here, we present Perturbation Curve (PertCurve), a nonlinear, curve-based computational framework that models the trajectories of transcriptomic responses by explicitly incorporating diverse perturbation magnitudes and strengths. By ordering cells by perturbation strength, we demonstrate that PertCurve accurately recapitulates the response magnitudes and reveals the distinct modularity and asynchrony patterns of downstream gene behaviors. These patterns are categorized into archetypes, including proportional, sensitive, and threshold responses. By applying this framework across CRISPRi/a modalities, we identify universal response patterns in viral infection, apoptosis, and proliferation genes, and reveal previously overlooked context-specific regulatory features in cell differentiation. Finally, incorporating PertCurve into perturbation prediction models and evaluation metrics enhances predictive performance, delivering actionable insights for refining established models.