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01.
arXiv (quant-ph) 2026-06-16

Neural network inverse design of nanophotonic scintillators

arXiv:2606.16309v1 Announce Type: cross Abstract: Scintillators are materials converting high-energy radiation into optical light, essential in a range of technologies such as medical imaging systems and security scanners. Scintillator development and optimization have remained limited by the complexity of their underlying physics, involving stochastic cascades of electron-electron, electron-phonon, and electron-photon interactions. Such processes are typically modeled by non-differentiable Monte Carlo simulations, limiting the applicability of machine learning for scintillator development. Here we present a physics-informed neural network that learns the scintillation cascade process from the incident high-energy particle to photon emission, substantially accelerating scintillator design and optimization. Combining this neural network with photonic simulations enables end-to-end differentiable optimization of the scintillator geometry. This allows us to optimize for arbitrary figures of merit, such as specific target emission patterns.. We demonstrate the concept and characterize it relative to previous approaches by inverse design of nanophotonic scintillators for X-ray imaging.

02.
arXiv (CS.CL) 2026-06-11

Redesign Mixture-of-Experts Routers with Manifold Power Iteration

Router is the cornerstone component to the Mixture-of-Experts models. Serving as expert proxies, the rows of the router matrix compute their similarity to the MoE inputs to determine which subset of experts is activated. Ideally, each router row is designed to encode the expert matrix into this representative vector, such that its dot-product with token can better reflect token-expert affinity. However, there exists no design principles to enforce this condensation. In this paper, we propose to align each router row with the principal singular direction of the associated expert, as this direction provides the most expressive mathematical description of a matrix. Based on this principle, we propose a router redesign with Manifold Power Iteration (MPI). Specifically, it introduces a "Power-then-Retract" paradigm, where a power iteration step is performed on the router weights, followed by a retraction to impose a norm constraint to ensure both efficiency and stability. Theoretically, we show that MPI drives router rows to converge toward the principal singular directions of associated experts. Empirically, we pretrain MoE model across scales from 1B to 11B parameters to confirm that this alignment facilitates more effective MoE models.

03.
arXiv (quant-ph) 2026-06-11

Unifying Quantum Smoothing Theories with Extended Retrodiction

arXiv:2510.08447v2 Announce Type: replace Abstract: Estimating the state of an open quantum system monitored over time requires incorporating information from past measurements (filtering) and, for improved accuracy, also from future measurements (smoothing). While classical smoothing is well understood within a Bayesian framework, its quantum generalization has been challenging, leading to distinct and seemingly incompatible approaches. In this work, we demonstrate that quantum state smoothing hinges on a uniquely quantum feature: the fundamental dependence of retrodiction on prior correlations. We introduce auxiliary systems into the prior belief to capture correlations formed during preparation and evolution and develop a comprehensive framework for quantum state smoothing based on extended Bayesian retrodiction. This framework identifies all previous approaches as different choices of the extended prior, and naturally extends it to other choices that have not been considered before. We also give an information-theoretic characterization of the choices of prior, in terms of the average entropy of the smoothed states. Our results establish quantum state smoothing as a fundamentally retrodictive process just like classical smoothing, with proper quantum features clearly identified.

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

DecompSR: A dataset for decomposed analyses of compositional multihop spatial reasoning

arXiv:2511.02627v3 Announce Type: replace Abstract: We introduce DecompSR, decomposed spatial reasoning, a large benchmark dataset (over 5m datapoints) and generation framework designed to analyse compositional spatial reasoning ability. The generation of DecompSR allows users to independently vary several aspects of compositionality, namely: productivity (reasoning depth), substitutivity (entity and linguistic variability), overgeneralisation (input order, distractors) and systematicity (novel linguistic elements). DecompSR is built procedurally in a manner which makes it is correct by construction, which is independently verified using a symbolic solver to guarantee the correctness of the dataset. DecompSR is comprehensively benchmarked across a host of Large Language Models (LLMs) where we show that LLMs struggle with productive and systematic generalisation in spatial reasoning tasks whereas they are more robust to linguistic variation. DecompSR provides a provably correct and rigorous benchmarking dataset with a novel ability to independently vary the degrees of several key aspects of compositionality, allowing for robust and fine-grained probing of the compositional reasoning abilities of LLMs.

05.
arXiv (CS.LG) 2026-06-19

Semantic-Anchored Evidential Fusion for Domain-Robust Whole-Slide Survival Analysis

arXiv:2606.19966v1 Announce Type: cross Abstract: Whole-slide images (WSIs) are widely used for computational cancer prognosis. However, most existing methods primarily focus on in-domain performance and fail to generalize across clinical centers. This limitation stems from their reliance on pixel-derived representations that are highly susceptible to domain-specific artifacts caused by staining protocols and scanner hardware. We hypothesize that high-level pathology semantics, such as tumor grade and micro-environmental architecture, provide a domain-invariant semantic representation that mirrors the robust diagnostic logic of human pathologists. Therefore, we propose a Semantic-Anchored Evidential Fusion Survival (SAEFS) framework, where SAEFS derives semantic anchors from WSIs via Visual Question Answering (VQA), employs a dual-stream WSI evidence extraction architecture, uses Dirichlet-based Subjective Logic to model uncertainty, and fuses semantic and visual evidence through a cautious conjunction rule to avoid overconfident fusion from correlated sources. Trained exclusively on one source domain and evaluated zero-shot across four unseen domains, SAEFS consistently outperforms state-of-the-art models both in prediction accuracy and reliability, improving the average C-index by 10.2%. Quantitative analyses further show that VQA-derived semantic features exhibit significantly lower cross-center divergence than pixel-derived features, highlighting their robustness for cross-center clinical applications.

06.
arXiv (math.PR) 2026-06-25

The relationship between the transition functions of the labeled and unlabeled versions of the infinitely-many-neutral-alleles diffusion model

作者:

arXiv:2606.06739v2 Announce Type: replace Abstract: The transition function of the unlabeled infinitely-many-neutral-alleles diffusion model, as expressed by Zhou (2015), is derived from the transition function of the labeled infinitely-many-neutral-alleles diffusion model, slightly simplifying the derivation by Feng (2010).

07.
arXiv (CS.CV) 2026-06-24

Face versus Body Tracking for Human-Robot Interaction: An Egocentric Dataset

Meaningful human-robot interaction (HRI) requires a robot to continuously assess user engagement through persistent user tracking. However, state-of-the-art Multi-Object Tracking models are heavily optimized for surveillance or autonomous driving. A social robot faces distinct egocentric challenges, such as humans moving in unpredictable nonlinear patterns, obstructing each other, or leaving and reentering the scene. These dynamics trigger frequent identity switches (IDSW), causing the robot to lose its footing mid-conversation. To address this, we introduce a focused, custom-annotated egocentric dataset collected via the Furhat robot. We present a systematic evaluation isolating detection errors from tracking logic, comparing face versus body tracking, and assessing the impact of extended memory and appearance re-identification (ReID). Results indicate that increasing temporal memory mitigates prolonged occlusions but fails on complex dynamic events. Integrating ReID resolves complex switches but exhibits opposing effects: it substantially improves body tracking stability, yet causes facial IDSW to spike due to profile angle sensitivity. Ultimately, our optimized pipeline reduces IDSW by 49% compared to a standard tracking-by-detection baseline, effectively mitigating interaction breakdowns. As standard benchmarks lack dense, close-quarter occlusions, this work highlights the critical need for natively captured social dynamics to truly validate HRI perception models.

08.
arXiv (CS.LG) 2026-06-17

A Bayesian Boolean Matrix Factorization with Application to Copy Number Analysis in Cancer

arXiv:2606.17491v1 Announce Type: cross Abstract: Binary data factorization is common, but real-valued methods ignore discreteness and yield hard-to-interpret factors. Boolean Matrix Factorization (BooMF) instead decomposes a binary matrix into two lower-rank binary matrices via logical AND and OR, expressing the data as a Boolean disjunction of interpretable patterns. In cancer genomics, BooMF can reveal coordinated feature changes that may drive tumor evolution, unlike rotational or additive decompositions. Most existing BooMF methods are heuristic, greedy, sensitive to initialization, prone to local optima, and do not support principled model selection or uncertainty quantification. We introduce Bayesian Boolean Matrix Factorization (BBMF), a fully conjugate generative model with sparsity-inducing priors. It enforces Boolean constraints, yields interpretable latent factors with coherent uncertainty quantification, and admits Gibbs sampling with closed-form full conditionals. Because cancer evolution often involves widespread, near-simultaneous chromosome-number changes (e.g., whole-genome duplication followed by instability and selection), Boolean factorizations capture these patterns more naturally than additive models. Applied to arm-level copy-number alteration data in multiple myeloma, where entries indicate presence/absence of chromosomal-arm amplifications, BBMF finds a small set of interpretable bicliques linking patient subsets to recurrently co-altered chromosomal arms, providing a compact, biologically meaningful summary of tumor heterogeneity and demonstrating BBMF's utility for uncovering discrete latent structure in complex binary data.

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

Continual Self-Improvement with Lightweight Experiential Latent Memories

arXiv:2606.17803v1 Announce Type: new Abstract: Large language models achieve strong reasoning performance by scaling inference-time compute, yet remain fundamentally stateless, discarding the rich, self-produced reasoning traces generated during this process. We investigate whether models can instead learn online from this experience, converting transient computation (reasoning traces) into persistent reusable knowledge, and without external supervision or access to future data. We show that In-Context Learning (ICL) over raw reasoning traces fails to generalize, reflecting a fundamental limitation of token-level reuse: individual traces lack the abstraction needed for transfer, even after refinement (e.g. self-reflection). In contrast, drawing inspiration from recent works on unsupervised reinforcement learning, we find that lightweight per-instance training with self-generated test-time signals (majority voting) as rewards yields substantial gains, often surpassing full-dataset offline training, motivating a shift from raw traces to learned latent representations. Building on this insight, we propose an online method that distills inference-time compute spent on encountered problems into compact modular latent memories capturing the underlying reasoning structure. These memories are stored and retrieved for future inputs, enabling continual improvement while avoiding catastrophic forgetting through modular design. Importantly, our method is highly efficient, parametrized as extremely lightweight soft prompt memories (~0.001% of model parameters) and trained with only a few gradient steps, yet achieving performance competitive with full parametric updates and offline training. Across challenging mathematical reasoning benchmarks, our approach significantly outperforms zero-shot and raw data ICL baselines, while transferring effectively across datasets.

10.
arXiv (math.PR) 2026-06-17

Time-dependent averages of a critical long-range stochastic heat equation

arXiv:2411.09058v2 Announce Type: replace Abstract: We study the time-dependent spatial averages of a critical stochastic partial differential equation, namely the stochastic heat equation in dimension $d\geq 3$ with noise white in time and colored in space with covariance kernel $\|\cdot\|^{-2}$. The solution to this SPDE is a singular measure and was constructed by Mueller and Tribe in [MT04]. We show that the time-dependent spatial averages of this SPDE over a ball of radius $R$ at time $t$ have different limits under different space-time scales. In particular, when $t\ll R^2$, the central limit theorem holds; when $t=R^2$, the spatial average is a non-Gaussian random variable; when $t\gg R^2$, the spatial average becomes extinct.

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

ROSA-RL: Uncertainty-Aware Roundabout Optimized Speed Advisory with Reinforcement Learning

arXiv:2606.16558v1 Announce Type: new Abstract: Roundabouts challenge automated driving in mixed traffic, as heterogeneous and non-deterministic human behavior, unknown driving intentions, and high interaction complexity create uncertainty about whether the conflict zone will be blocked or available at the moment of entry. We present ROSA-RL – uncertainty-aware Roundabout Optimized Speed Advisory with Reinforcement Learning. It enables safe and efficient roundabout entry for automated and human-driven vehicles in mixed traffic through probabilistic conflict forecasting. A Transformer-based model predicts conflict zone occupancy over a five-second horizon, capturing multi-agent interactions to anticipate upcoming conflicts and available gaps. The prediction outputs encode uncertainty in future motion and intent, and augment the state of a classical RL framework, enabling uncertainty-aware speed coordination. Evaluated in simulations grounded in real-world data, ROSA-RL can effectively handle uncertainty and outperform a comparable model-based baseline, closing the gap to an ideal setting assuming fully known occupancy while improving traffic efficiency and safety. The source code of this work is available under: github.com/urbanAIthi/ROSA-RL.

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

PhoneHarness: Harnessing Phone-Use Agents through Mixed GUI, CLI, and Tool Actions

Phone agents are increasingly expected to complete real mobile workflows rather than merely predict the next screen action. However, much of the current mobile-agent literature still evaluates agents primarily as GUI controllers that observe a screen, emit taps and swipes, and are scored by target app state. Real phone-use tasks are broader: they require deciding when to use app GUIs, device-side commands, or structured tools, while leaving evidence that the intended side effect actually occurred. We introduce PhoneHarness, a mixed-action benchmark and execution harness for studying phone-use agents on verifiable mobile workflows. PhoneHarness runs a device-side agent loop over GUI, CLI, and host-side tool actions, combining deterministic action routing with bounded GUI delegation and auditable execution traces. Its benchmark, PhoneHarness Bench, evaluates whether agents complete tasks with observable side effects, not only whether they produce plausible final answers. On the annotated evaluation split, PhoneHarness reaches a 75.0% pass rate, outperforming the strongest non-PhoneHarness settings by 12.9 percentage points. PhoneHarness and PhoneHarness Bench therefore play distinct but mutually dependent roles: the harness makes mixed phone workflows executable, while the benchmark measures whether agents can use that harness reliably and safely. Our findings suggest that reliable phone automation depends on action-surface routing and verifiable execution, not only visual GUI control.

13.
arXiv (CS.LG) 2026-06-16

ShipNet: A Geometric Deep Learning Surrogate for Real-Time Ship Hydrodynamics

arXiv:2606.15356v1 Announce Type: cross Abstract: Accurate prediction of hydrodynamic performance is central to ship design, yet high-fidelity computational fluid dynamics remains prohibitively expensive for large-scale parametric exploration. This motivates the development of data-driven surrogate models that provide rapid approximations to hydrodynamic predictions at substantially reduced cost. We present ShipNet, a geometric deep-learning surrogate that predicts both hull-surface pressure distributions and far-field free-surface wave patterns directly from hull geometry and speed. The network employs a regularized dynamic graph convolutional backbone on hull point clouds, with a multi-head decoder for simultaneous near-body pressure and free-surface elevation outputs. Training data consist of 420 inviscid free-surface simulations generated using a potential-flow panel method for two parent yacht hulls, each parameterized into 70 variants and evaluated at three speeds. ShipNet predicts per-point pressure coefficient and two-dimensional wave elevation map using a composite loss that combines point-wise regression and image-structure terms. On a geometry-held-out test set, ShipNet achieves R^2=0.98 for hull pressure and R^2=0.91 for wave fields. Inference requires approximately 0.15s per case, yielding over a 550x speedup relative to the potential-flow solver on conventional hardware. Limitations include the restricted geometry and speed ranges and the inviscid training data, while future work will extend the model to high-fidelity viscous simulations with physics-informed regularization.

14.
arXiv (CS.LG) 2026-06-15

Private Prediction via PAC Privacy

arXiv:2601.14033v2 Announce Type: replace Abstract: Machine learning models are increasingly served behind APIs. This renders private prediction, i.e., privatizing a model's outputs rather than its parameters, a natural privacy target: model outputs are lower-dimensional and far more stable to training-data changes than weights. While differential privacy (DP) cannot effectively exploit this as it calibrates noise to worst-case sensitivity that is intractable to bound for non-convex models, we argue that PAC privacy is a natural fit for private prediction. It is instance-based, and calibrates noise to a black-box function's empirical stability to control mutual-information (MI) leakage. The missing ingredient is efficient, adaptive composition. Serving predictions means answering a long stream of adaptively chosen queries from untrusted users; existing composition either fails under adaptivity, grows quadratically, or reverts to input-independent, DP-like noise. We close this gap with a new adversarial composition result via adaptive noise calibration and prove that MI accumulates only linearly under adaptive and adversarial querying. Experiments across modalities show that prediction stability enables high utility even at a tiny per-query budget: on CIFAR-10, we achieve 87.79% accuracy with a per-query MI budget of $2^{-32}$. This enables serving one million queries while provably bounding membership-inference success to 51.08% – the same guarantee as $(0.04, 10^{-5})$-DP. Further, in the presence of auxiliary public data, the large volume of PAC-private predictions enables us to distill a publishable model that can be queried without limit. Concretely, 210,000 private labels on an ImageNet subset distill into a student reaching 91.86% accuracy on CIFAR-10 with membership inference success bounded by 50.49%, comparable to $(0.02, 10^{-5})$-DP.

15.
Science (Express) 2026-05-07

TranscriptFormer: A generative cell atlas across 1.5 billion years of evolution | Science

作者: 未知作者

Single-cell transcriptomics is revolutionizing our understanding of cellular diversity, yet comparing transcriptional programs across the tree of life remains challenging. We developed TranscriptFormer, a family of generative foundation models trained on up to 112 million cells spanning 1.53 billion years of evolution across 12 species. We demonstrate state-of-the-art performance on cell type classification, even for species separated over 685 million years of evolution, and zero-shot disease state identification in human cells. Developmental trajectories, phylogenetic relationships and cellular hierarchies emerge naturally in TranscriptFormer’s representations without any explicit training on these annotations. This work establishes a powerful framework for quantitative single-cell analysis and comparative cellular biology, thus demonstrating that universal principles of cellular organization can be learned and predicted across the tree of life.

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

Legal Reasoning Is Not Lawyering: Rethinking Legal Benchmarks for Pro Se Access to Justice

arXiv:2606.23716v1 Announce Type: cross Abstract: Legal AI benchmark research frequently invokes the assumption that large language models can improve access to justice, including for people who cannot access lawyers in order to understand and exercise their legal rights. We argue that current benchmarks are not equipped to support this assumption because they evaluate legal reasoning over inputs that have already been preprocessed by legal experts, which measures the upper bound of model performance. Access to justice depends on a lower bound: how models perform when inputs come from pro se litigants, whose prompts may contain noisy narratives, buried facts, omissions, folk-legal assumptions, and surface-level errors. These degradations are comparable to conditions under which LLMs are known to degrade in the general machine learning literature, including long-context sensitivity, underspecification, hallucination, and typographical perturbations. We connect evidence from pro se literature with this body of machine learning research and present a small perturbation experiment on LEXam, a legal benchmark, to illustrate the gap between these two bounds. If model development continues to focus on benchmarks that measure only the upper bound, this gap may remain hidden or even widen. We conclude by calling for legal benchmarks that directly measure robustness under pro se-like inputs so that access-to-justice claims about legal AI can become empirically testable.

17.
bioRxiv (Bioinfo) 2026-06-23

Systematic benchmarking of zero-shot utility and robustness in single-cell transcriptomic foundation models

Single-cell foundation models (scFMs) have been proposed as reusable representations for transcriptomic analysis, yet their practical utility and robustness when applied without task-specific fine-tuning remain incompletely characterized. Here, we systematically evaluated single-cell transcriptomic representations in zero-shot settings across 20 methods, 6 downstream tasks and 1,607 datasets comprising nearly 21.8 million cells. We characterized model behavior along three complementary dimensions: baseline utility, structural robustness, and dataset-level drivers of performance variability. Our large-scale analysis reveals a decoupling between utility and robustness: methods ranking highly on standard benchmarks often show marked instability under shifts in dataset structure. Furthermore, no single model performs uniformly well across tasks. In several tasks, classical statistical representations based on highly variable genes remain competitive under zero-shot conditions. Together, these results define the practical boundaries of zero-shot use in scFMs and provide a large-scale benchmark and decision framework for representation selection in single-cell genomics.

18.
medRxiv (Medicine) 2026-06-16

Fidelity-Derived Quantum Dissimilarity-Enhanced k-Nearest Neighbor Algorithm for Arterial Hypertension Prediction

We present a quantum-enhanced version of the classic k-Nearest Neighbors (kNN) classification algorithm, applied to the prediction of arterial hypertension. The traditional Euclidean distance metric of the kNN algorithm is replaced with a Fidelity-derived quantum dissimilarity measure to evaluate the similarity between data samples. We map classical real-world clinical and ECG-derived data features into quantum states via the Dense-Angle Encoding, which efficiently utilizes parameterized rotation gates to pack multiple features into minimal qubits while maintaining pure states. We evaluate the performance of the dissimilarity measure using both the noiseless state vector Simulator and the IBM Qiskit Estimator primitives. The quantum circuit demonstrates robust predictive capabilities comparable to the classical model. While it does not claim computational supremacy over the classical baseline, the framework proves that fidelity-based similarity is a physically meaningful and efficient approach for hybrid quantum classical classification.

19.
bioRxiv (Bioinfo) 2026-06-11

OMIO: A policy-driven Python library for reproducible microscopy image I/O

Modern fluorescence and multiphoton microscopy workflows operate within a heterogeneous ecosystem of file formats, partially overlapping metadata standards, and reader-specific conventions. In practice, this frequently leads to silent axis misinterpretations, loss or corruption of physical voxel size information, and laboratory-specific glue code that is fragile, poorly documented, and difficult to reproduce. OMIO, short for Open Microscopy Image I/O, addresses these issues by providing a lightweight, policy-driven image I/O layer for Python that enforces a canonical, OME-compatible data representation at the API boundary. The central contribution of OMIO is the explicit separation of low-level format access from semantic normalization. Existing reader libraries are used as interchangeable backends for extracting pixel data and available metadata, while OMIO enforces axis conventions, metadata interpretation, and fallback decisions in a centralized and auditable policy layer. This design allows heterogeneous microscopy inputs to be converted into a stable representation without propagating backend-specific assumptions into downstream analysis code. The core design principles of OMIO include canonical axis semantics (TZCYX), robust metadata normalization with explicit and auditable fallbacks, memory-aware operation via optional Zarr-based backends, and workflow-level semantics that extend beyond individual files to folder stacks and BIDS-like project structures. This architecture allows OMIO to orchestrate existing reader libraries into a coherent and reproducible I/O pipeline without replacing or duplicating their functionality. OMIO is implemented as an open-source and community-oriented system in which support for additional file formats and metadata conventions can be added incrementally through modular reader backends. By encouraging the contribution of example datasets, backend extensions, and feature requests, OMIO is designed to evolve alongside emerging acquisition systems while preserving strict semantic guarantees at the interface level. The resulting standardized OME-TIFF outputs are immediately suitable for downstream quantitative analysis and interactive inspection in scientific Python workflows, including workflows based on ImageJ and Napari.

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

Emerging Flexible Designs for Geospatial Multimodal Foundation Models

Foundation models are rapidly transforming Earth observation by enabling scalable pretraining across diverse unlabeled geospatial modalities. However, their architectural diversity ranging from encoder-only to encoder-decoder and masked autoencoding paradigms makes it challenging to assess performance trade offs in a consistent manner. In this work, we present an apples-to-apples comparison of leading FM architectures designed for geospatial multimodal reasoning, with a particular focus on flexibility across varied spectral band configurations. We standardize pretraining using identical self supervised learning objectives and training datasets, and evaluate all models under consistent parameterization on the GEOBench benchmark across classification and segmentation tasks. Our results offer new insights into the design trade-offs between model flexibility, modality alignment, and downstream task performance. By highlighting architectural strengths and limitations under controlled conditions, this study provides practical guidance for building next generation geospatial foundation models capable of robust multimodal reasoning.

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

Monotonic Kolmogorov-Arnold Networks: A Theoretical and Empirical Study of Monotonicity as an Inductive Bias

arXiv:2606.17886v1 Announce Type: new Abstract: Monotonicity has been a long-running architectural inductive bias for neural networks, motivated by tabular, scientific, and economic settings where outputs are known to respond monotonically to certain inputs. Existing approaches are MLP- or flow-based and lack per-edge functional transparency; the only Kolmogorov–Arnold Network (KAN) variant with monotonicity, MonoKAN, enforces the constraint only on a restricted parameter subset and requires a projection-style training procedure. We close this gap with MKAN, a KAN with hard monotonicity guaranteed for all parameter values via exponential reparameterization of B-spline coefficients, positive edge weights, and a monotone base activation. Training reduces to standard unconstrained gradient descent. Our headline theoretical contribution is a representation-cost theorem: any $C^K, K >0$ feature extractor inducing a ball-shaped semantic-neighborhood partition admits a monotone realization of the equivalent neighborhood structure at $N' = N^* + k \le 2N^*$, where $k$ is the number of non-monotone coordinates of the original. The bound is architecture-agnostic and gives a principled sizing rule for monotone encoders. Empirically, MKAN is competitive with state-of-the-art monotone NNs on the SMM/ICML-2024 benchmark while being the only method that combines hard unconstrained monotonicity with KAN's per-edge functional transparency; the $2N^*$ prediction is validated in a self-supervised feature-size sweep on four real datasets, and on a controlled monotone-generative dataset MKAN recovers ground-truth factors with substantially higher Spearman alignment than KAN, MLP, and linear baselines.

22.
arXiv (CS.CV) 2026-06-17

MODE-RAG: Manifold Outlier Diagnosis and Energy-based Retrieval-Augmented Generation Evaluation

While Multimodal Retrieval-Augmented Generation (M-RAG) enhances Large Vision-Language Models, it remains highly susceptible to cross-modal hallucinations, causal fabrications, and sycophancy. Furthermore, existing mitigation pipelines often face an intervention paradox: static rules tend to unnecessarily disrupt accurate generations, whereas leaving the multi-modal reasoning completely unguided allows existing mismatches to cascade into severe logical fabrications. To quantify and mitigate these hallucinations, we propose a Multi-Agent system, MODE-RAG, driven by Variational Free Energy (VFE) and internal attention states to dynamically gate interventions. High-risk queries are routed to five stage-specific agents, integrating Monte Carlo Tree Search (MCTS) for rigorous causal derivation and logit perturbations to penalize sycophancy. Dedicated Correction and Overseer agents ensure formatting stability and perform post-hoc factual verification. To objectively evaluate our approach, we introduce ModeVent, a challenging subset derived from the MultiVent dataset. Extensive experiments indicate that our system effectively reduces hallucination rates and logical fabrication, significantly improving the robustness of M-RAG systems.

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

Machine Learning for Biomedical Raman Spectroscopy: From Spectral Acquisition to Clinical Translation

arXiv:2606.14169v1 Announce Type: new Abstract: Raman spectroscopy provides label-free, chemically specific characterization of biological systems and has become an important tool for cancer diagnosis, molecular subtyping, microbiological identification, and intraoperative decision support. Biomedical Raman spectra are, however, high-dimensional, noisy, and affected by fluorescence background, acquisition variability, and biological heterogeneity, making robust computational analysis essential. This review examines the role of machine learning across the biomedical Raman spectroscopy pipeline, from preprocessing and signal correction to unsupervised structure discovery, supervised diagnosis and molecular stratification, representation and transfer learning, explainability, biomarker discovery, and multimodal integration with imaging, pathology, and molecular profiling. Emphasis is placed on the use of machine learning not only for diagnostic classification, but also for biologically interpretable and clinically actionable analysis. We also discuss the main barriers to clinical translation, including limited dataset sizes, inter-instrument variability, inconsistent preprocessing, insufficient external validation, reproducibility concerns, and limited sharing of software, data, and metadata. We argue that progress will require methodological advances together with standardization, robust validation, explainability, and deployment-ready analytical frameworks. By integrating methodological, biomedical, and translational perspectives, this review outlines key directions for developing reliable and clinically deployable Raman-AI systems.

24.
arXiv (quant-ph) 2026-06-19

Quantum Dynamics from Lax Pair Theory: A Reconstruction from Spectrum Preservation

arXiv:2606.19664v1 Announce Type: new Abstract: We reconstruct unitary quantum dynamics from a minimal axiomatic foundation built on Hilbert-space observables and isospectral evolution. The only dynamical assumption is that physical time evolution is a continuous one-parameter flow of Hermitian observables that preserves their spectra, i.e. the possible outcomes of measurement. We show that this assumption is already sufficient to force the Lax form of quantum dynamics. The Heisenberg equation, the time-dependent and time-independent Schrödinger equations, conservation laws, and good quantum numbers then follow as theorems rather than postulates. In this formulation, Lax pair theory supplies the missing dynamical bridge between the measurement structure of a Hilbert space and standard quantum evolution: the Hamiltonian is not assumed, but emerges as the generator required for an isospectral observable flow.

25.
Nature Biotechnology 2026-06-05

Structural motif search across the protein universe with Folddisco

作者:

Detecting similar protein structural motifs in large structure collections is computationally expensive. We developed Folddisco, a fast structural motif search tool that uses an index of position-independent geometric features, including side-chain orientation, combined with a rarity-based scoring system. Folddisco is 20-fold faster in querying and fourfold more storage-efficient than existing methods while improving accuracy. Folddisco is freely available online ( https://folddisco.foldseek.com ), along with a webserver ( https://search.foldseek.com/folddisco ). Folddisco enables protein structural motif search in million scale databases.