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

Agentic AI-based Framework for Mitigating Premature Diagnostic Handoff and Silent Hallucination in Healthcare Applications

arXiv:2606.18068v1 Announce Type: new Abstract: Recent advances in Large Language Models (LLMs) and multi-agent systems have driven the rise of Agentic AI, showing promise for medical reasoning. However, open-ended conversational agents remain prone to two critical failure modes: premature diagnostic handoff and silent clinical hallucinations that may go undetected before reaching the patient. In this work, we propose a multi-agent framework that addresses both issues by replacing ``LLM-as-a-judge'' routing with deterministic orchestration constraints. The framework incorporates two safety mechanisms. First, a neuro-symbolic state-tracking gate enforces completeness of the OLDCARTS clinical protocol (Onset, Location, Duration, Character, Aggravating/Alleviating factors, Radiation, Timing, and Severity) by blocking diagnostic transitions until all required dimensions are collected. Second, an epistemic uncertainty quantification (UQ) gate computes semantic entropy (H) across K=5 independent diagnostic samples to identify and intercept divergent outputs before delivery. We evaluate the system using simulated patient agents powered by the llama-3.1-70b-instruct model on 150 test cases. The full architecture achieves 49.3% diagnostic precision, representing an absolute improvement of 11.3 percentage points over an unconstrained baseline. Additionally, we observe a statistically significant negative correlation (r = -0.181, p < 0.05) between OLDCARTS completeness (\sigma) and semantic entropy (H), suggesting that structured information gathering is associated with reduced diagnostic uncertainty.

02.
arXiv (CS.CV) 2026-06-17

Bayesian Magnetic Resonance Joint Image Reconstruction and Uncertainty Quantification using Sparsity Prior Models and Markov Chain Monte Carlo Sampling

We propose a novel framework for uncertainty quantification using compressed sensing magnetic resonance image reconstruction. The problem is formulated within a Bayesian framework as a linear inverse problem, with prior distributions assigned to the unknown model parameters. Specifically, the image to be reconstructed is assumed to be sparse in a given basis. We develop a general framework applicable to any basis and as examples, we test the sparsity of the image in its (1) spatial gradients using a total variation prior model, and in its (2) wavelet transform. A Markov chain Monte Carlo (MCMC) method, based on a split-and-augmented Gibbs sampler, is then employed to sample from the posterior distribution of the unknown parameters. The non-differentiable conditional distributions are efficiently sampled using a proximal MCMC method. The proposed algorithms are validated on both single-coil and multi-coil datasets using various k-space sub-sampling patterns and ratios. The results demonstrate the superior performance of each proposed approach in reconstructing images compared to its counterpart optimisation-based method. Moreover, our framework effectively quantifies uncertainty, showing a notable correlation between estimated uncertainty maps and error maps computed using ground truth and reconstructed images, compared with existing deep learning-based methods.

03.
arXiv (quant-ph) 2026-06-12

More efficient Clifford+T synthesis for small-angle rotations and application to Trotterization

arXiv:2605.31544v2 Announce Type: replace Abstract: Clifford+T synthesis of rotation gates is an important routine in fault-tolerant quantum compilation. While Clifford+T synthesis is scalable, it has a high overhead of tens of T gates per rotation in practice, translating to high resource estimates for many fault-tolerant algorithms. However, these well-known results, including those using probabilistic mixtures [Quantum 7, 1208 (2023)], are independent of the rotation angle $\theta$, requiring $O(\log 1/\delta)$ T gates. We show that it is possible to do much better for small angles, reducing the T cost to $\tilde{O}(\theta^2/\delta)$, and returning to existing $O(\log1/\delta)$ results in the worst case. This is particularly important since many algorithms, such as Trotterization, are dominated by small-angle rotations. Further, we perform a detailed theoretical and numerical study of quasi-probabilities, which can further reduce the total T cost of large circuits by orders of magnitude with only a small overhead in sample complexity. We also develop a scheme based on quasi-probability mixtures of Clifford+T fallback channels. We derive new $\theta$-dependent formulas that can be used for resource estimation of fault-tolerant quantum algorithms. As an application of our results, we show that the gate cost of Trotterization circuits compiled to a Clifford+T gate set is constant in the small Trotter step size limit, and can be reduced by orders of magnitude even for large step sizes. The cost of fault-tolerant Trotterization for a variety of applications should be re-examined in light of these results. Our work dispels the widely-stated claim that Clifford+T rotation synthesis has a high cost independent of $\theta$, and further develops a scalable quasi-probability method for rotation synthesis. We also expect our results to bring forward useful early fault-tolerant quantum computing by reducing required magic state resources.

04.
arXiv (CS.CV) 2026-06-12

BrainDINO: A Brain MRI Foundation Model for Generalizable Clinical Representation Learning

Brain MRI underpins a wide range of neuroscientific and clinical applications, yet most learning-based methods remain task-specific and require substantial labeled data. Here we show that a single self-supervised representation can generalize across heterogeneous brain MRI endpoints. We trained BrainDINO, a self-distilled foundation model, on approximately 6.6 million unlabeled axial slices from 20 datasets encompassing broad variation in population, disease, and acquisition setting. Using a frozen encoder with lightweight task heads, BrainDINO supported transfer across tumor segmentation, neurodegenerative and neurodevelopmental conditions classification, brain age estimation, post-stroke temporal prediction, molecular status prediction, MRI sequence classification, and survival modeling. Across tasks and supervision regimes, BrainDINO consistently equaled or exceeded natural-image and MRI-specific self-supervised baselines, with particularly strong advantages under label scarcity. Representation analyses further showed anatomically organized and pathology-sensitive feature structure in the absence of task-specific supervision. Our findings indicate that large-scale slice-wise self-supervised learning can yield a unified brain MRI representation that supports diverse neuroimaging tasks without volumetric pretraining or full-network fine-tuning, establishing a scalable foundation for robust and data-efficient brain imaging analysis. Code is available at https://github.com/mclwu22/BrainDINO

05.
arXiv (quant-ph) 2026-06-17

Response kinetic uncertainty relation for Markovian open quantum systems

arXiv:2501.04895v2 Announce Type: replace Abstract: Response uncertainty relations in stochastic thermodynamics extend precision bounds to the sensitivity of observables under external perturbations. Here we derive a quantum response kinetic uncertainty relation for continuously monitored Markovian open quantum systems in the steady state of the Lindblad master equation. The response precision of a measured trajectory observable is bounded by two contributions: the conventional quantum dynamical activity and a perturbation-induced intersubspace transition term. The latter is absent in the classical limit and captures a genuinely quantum part of the response cost. We identify simple conditions under which either contribution vanishes, and we further clarify the structure of the intersubspace term through a symmetry-resolved decomposition and exact sector-selection rules. The bound and its structure are illustrated in a driven two-level atom.

06.
bioRxiv (Bioinfo) 2026-06-18

segSHAPE: RNA secondary structure prediction from nanopore direct RNA sequencing

RNAs adopt complex structures that regulate key biological processes, making accurate structure prediction essential. Chemical probing coupled with Nanopore direct RNA sequencing (DRS) offers a route to single-molecule structural inference, but current tools are limited by inaccurate signal-to-sequence alignment, which degrades modification-rate estimation and downstream structure prediction. Here we introduce segSHAPE for RNA secondary structure prediction from Nanopore DRS data (both RNA002 and RNA004 chemistries), a probe-agnostic framework that improves signal alignment using prior information of basecalling and per-read signal baseline shift correction, learns position-specific k-mer raw signal parameters, and estimates per-nucleotide modification rates with an unsupervised anomaly detector. On three public RNA002 DRS datasets spanning different chemical probes (AcIm, NAI-N3) and RNAs from 421 to 1552 nt, segSHAPE achieves the highest F1 score and Matthews correlation coefficient (MCC) on all RNAs, exceeding the strongest baseline by 3.4 to 5.8 percentage points in MCC. It additionally captures the ligand-induced conformational change of the thiamine pyrophosphate (TPP) riboswitch RNA directly from RNA002 DRS data using the DEPC probe. On a public RNA004 DRS dataset, segSHAPE improves over the sm-PORE-cupine baseline by 17 ROC-AUC points in modification rate estimation and by 6.7 MCC points in structure prediction. These results establish segSHAPE as a unified, probe-agnostic pipeline for RNA structure prediction from Nanopore DRS data.

07.
arXiv (CS.CL) 2026-06-25

Perfect Detection, Failed Control: The Geometry of Knowing vs. Steering in Language Models

A central aspiration of mechanistic interpretability is controllability: if we know where a behavior is represented in a model's activations, we should be able to modify it. This rests on a hidden premise – that the direction which detects a behavior and the direction which controls it are the same, or close. We test this geometrically: what is the angle between the direction that best detects a behavior and the one that best causes it? If detection implies control the cosine is near 1; otherwise it quantifies a detection-intervention gap. On Gemma 2-2B-it, output format (clean JSON vs markdown fencing) collapses both roles onto one axis. Hallucination does not: the model detects fake entities with perfect linear separability (AUC = 1.000 from layer 5), yet that direction sits at cos = 0.12 (about 83 degrees) from the direction producing a refusal – a small, reproducible alignment, far from the cos = 1 that "detection is control" would require. A detector built from activations, with no chosen tokens, likewise fails to align (cos = -0.06). The gap generalizes: across four models from three families and two scales (1B-9B), cos stays in [0.12, 0.20], identical before and after instruction tuning (0.1197 vs 0.1200), placing its origin in pretraining. A 15-degree rotation toward the refusal direction partially bridges it – 73% and 60% refusal on two held-out fake-entity categories at 1.8% false positives. We then ask whether this cosine predicts steerability, and it does not: detection is a high-dimensional class, not a single direction, and what separates the steerable case is functional, not readable from a static angle. The cosine is a weight-computable signature of the dissociation between knowing and steering, not a predictor of it.

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

Non-negative Matrix Factorisation with Topological Regularisation

arXiv:2606.17531v1 Announce Type: new Abstract: We investigate the learning of interpretable bases in non-negative matrix factorisation (NMF) by regularising the topology of the learned basis functions. Our approach is motivated by the observation that many data modalities can be viewed as non-negative functions on a structured domain, where the quality of a basis is intrinsically linked to its topology. However, naive methods for incorporating the topology of the support are often hindered by discreteness and threshold dependence, rendering them unsuitable for continuous optimisation. We address these challenges by employing persistent homology as a stable, threshold-free topological quantifier and by designing topological scores that integrate into the NMF objective as regularisers. The resulting framework encompasses spatially coherent image components, periodic time-series structures, and clique-like graph signals within a unified modelling language.

09.
Nature Biotechnology 2026-06-23

Mapping and engineering the human cell–cell interactome

Efforts to systematically understand how cell interactions tune tissue-level function have motivated transformative advances in single-cell transcriptomics and spatial profiling. Although these technologies can measure molecular states in individual cells and their spatial mapping within tissues, they also reveal that there exists a fundamental knowledge gap of how cells influence each other in context. In this Perspective, we propose an initiative to map and engineer the human cell–cell interactome: a functional atlas of how all major human cell types communicate. We highlight how recent innovations can make this vision achievable. As a first moonshot, we propose the ‘Billion Cell×Cell Project’, which systematically characterizes the outcomes of defined cell–cell dyads across diverse cell types and conditions. We envision this multistage initiative will produce progressively deeper insights and unlock additional avenues for therapeutic discovery. We call on the scientific community to join us in building the tools, datasets and models that will decode and rewrite the language of life between cells. Di Carlo and colleagues discuss technologies required to map and engineer the human cell–cell interactome and the therapeutic avenues such an atlas could unlock.

10.
arXiv (CS.CV) 2026-06-25

FlowID : Enhancing Forensic Identification with Latent Flow-Matching Models

Every day, many people die under violent circumstances, whether from crimes, war, migration, or climate disasters. Medico-legal and law enforcement institutions document many portraits of the deceased for evidence, but cannot immediately carry out identification on them. While traditional image editing tools can process these photos for public release, the workflow is lengthy and produces suboptimal results. In this work, we leverage advances in image generation models, which can now produce photorealistic human portraits, to introduce FlowID, an identity-preserving facial reconstruction method. Our approach combines single-image fine-tuning, which adapts the generative model to out-of-distribution injured faces, with attention-based masking that localizes edits to damaged regions while preserving identity-critical features. Together, these components enable the removal of artifacts from violent death while retaining sufficient identity information to support identification. To evaluate our method, we introduce InjuredFaces, a novel benchmark for identity-preserving facial reconstruction under severe facial damage. Beyond serving as an evaluation tool for this work, InjuredFaces provides a standardized resource for the community to study and compare methods addressing facial reconstruction in extreme conditions. Experimental results show that FlowID outperforms state-of-the-art open-source methods while maintaining low memory requirements, making it suitable for local deployment without compromising data privacy.

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

Mitigating Disparate Impact of Differentially Private Learning through Bounded Adaptive Clipping

arXiv:2506.01396v2 Announce Type: replace Abstract: Differential privacy (DP) has become an essential framework for privacy-preserving machine learning. Existing DP learning methods, however, often have disparate impacts on model predictions, e.g., for minority groups. Gradient clipping, which is often used in DP learning, can suppress larger gradients from challenging samples. We show that this problem is amplified by adaptive clipping, which will often shrink the clipping bound to tiny values to match a well-fitting majority, while significantly reducing the accuracy for others. We propose bounded adaptive clipping, which introduces a tunable lower bound to prevent excessive gradient suppression. Our method improves worst-class accuracy by over 10 percentage points on Skewed and Fashion MNIST compared to unbounded adaptive clipping, 7 points compared to Automatic clipping, and 5 points compared to constant clipping. The code is available at https://github.com/TrustworthyMLHelsinki/adaptive-clipping-fairness.

12.
arXiv (quant-ph) 2026-06-19

Multi-objective design of photon blockade for bright single-photon sources

arXiv:2606.20160v1 Announce Type: new Abstract: High-quality single-photon sources, realized through saturable emitters, photon blockade, or heralded pair generation, are indispensable building blocks for photonic quantum platforms. Although these mechanisms suppress multiphoton emission through distinct principles typically captured by analytical models, their practical implementation is constrained by conflicting requirements for purity, brightness, and indistinguishability, which must be balanced within high-dimensional design landscapes. Here, we propose a computational framework for optimizing competing metrics of single-photon sources. Building on a Liouville-space adjoint formulation that efficiently evaluates multiple objectives in Markovian open quantum systems, we develop a Jacobian-based update, which ensures first-order monotonic reduction of multi-objective costs. By incorporating simulated annealing to escape gradient-vanishing plateaus, our framework achieves a design success rate of nearly 60 % for photon blockade with g2(0) smaller than 0.1 and theoretically bounded brightness across a broad parameter space, without any analytical guidance. This framework provides a general recipe for multi-objective design of open quantum systems.

13.
arXiv (math.PR) 2026-06-11

Arrangements of Consecutive Numbers in Mallows Permutations

arXiv:2606.12410v1 Announce Type: cross Abstract: We study the random variable that counts the number of specific arrangements of clustered consecutive numbers in permutations under the Mallows distribution. We provide an asymptotic expression for the expected value of this random variable. This result extends and tightens the previously known result by Pinsky (2022) concerning clustered consecutive numbers in Mallows permutations. Moreover, we identify a range of parameters for which the distribution of the number of arrangements of clustered consecutive numbers in Mallows permutations is close to a Poisson distribution.

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

VOiLA: Vectorized Online Planning with Learned Diffusion Model for POMDP Agents

arXiv:2606.19729v1 Announce Type: cross Abstract: Planning under uncertainty is an essential capability for autonomous robots. The Partially Observable Markov Decision Process (POMDP) provides a powerful framework for such a capability. Although POMDP-based planning has advanced significantly, its application to real-world problems is often limited by the difficulty of obtaining faithful POMDP models. We present Vectorized Online planning wIth Learned diffusion model for POMDP Agents (VOiLA), a framework that learns task-agnostic POMDP models for online planning under uncertainty. VOiLA learns transition and observation samplers using conditional diffusion models and learns observation-likelihood models for particle-based belief updates. To enable efficient online planning, the diffusion samplers are distilled into compact feedforward generators and integrated with Vectorized Online POMDP Planner (VOPP), an online POMDP planner designed to leverage GPU parallelization. Experimental results indicate the distillation strategy reduces sampling cost by up to nearly three orders of magnitude, making learned generative POMDP models practical for online planning. Evaluation of VOiLA on three benchmark problems indicate that VOiLA achieves equal or better performance than Recurrent Soft Actor Critic while using less than 10% training data, and generalizes much better to unseen environment configurations. Physical robot evaluation indicates VOiLA uses the models learned using only simulated data and generates a policy that successfully accomplish the task in 10 of 10 runs.

15.
arXiv (CS.LG) 2026-06-11

Machine-learning clustering of close-in exoplanet populations: links to pebble accretion

arXiv:2606.11737v1 Announce Type: cross Abstract: Close-in exoplanets exhibit a wide range of orbital architectures and physical properties shaped by both formation conditions and migration processes. Although population-synthesis models predict distinct planetary populations, establishing a quantitative connection between observed exoplanets and synthetic populations remains challenging. We investigate the intrinsic organisation of close-in exoplanets using physically motivated dynamical parameters and connect the resulting populations to pebble-accretion formation pathways. A two-stage Gaussian mixture model (GMM) is applied to an observed sample of close-in exoplanets, performing unsupervised probabilistic clustering in a feature space dominated by dynamical descriptors of planet-star interactions. The resulting clusters are mapped onto a pebble-accretion synthetic population within a statistically motivated three-dimensional parameter space. Formation-related quantities, including gas availability, gas fraction, and ice-rock mass ratio, are then used to interpret the mapped populations. We identify statistically supported sub-populations without imposing predefined classification boundaries, including very-massive gas giants, hot giants, warm-Jupiter-dominated systems, and lower-mass giants. The mapped synthetic populations reveal systematic differences in formation timing, gas accretion, and solid growth histories. In particular, very-massive gas giants are preferentially associated with earlier formation epochs than hot-giant and warm-Jupiter-dominated populations. These results demonstrate that physically motivated machine-learning approaches can provide a statistically robust framework for linking observed exoplanet populations to theoretical planet formation pathways.

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

Agentic Retrieval and Reinforcement Learned Equation Chains: A Controlled Generation Framework for Complex and Novel Physics Word Problems

Generating high-quality Physics Word Problems (PWPs) that are novel, complex, and solvable remains a challenging and underexplored problem in educational content generation. Existing approaches, many adapted from Math Word Problem (MWP) generation, often produce ambiguous, unsolvable, or structurally simple questions with limited linguistic diversity. We introduce ARVRE (Agentic Retrieval Value Reinforced Equation-chain), a two-stage framework for generating diverse and mathematically valid PWPs. In the first stage, a form of offline temporal-difference learning is used to construct valid chains of physics equations, while an agentic retrieval-augmented generation (RAG) framework dynamically selects topic-specific concepts and vocabulary. This design enables explicit control over problem structure and difficulty. In the second stage, a Large Language Model (LLM) converts the equation chain and retrieved concepts into a natural-language physics question. By grounding generation in valid equation chains, our method preserves mathematical correctness while promoting linguistic diversity and contextual richness. Human and automated evaluations demonstrate that ARVRE generates PWPs that are more complex, novel, and solvable than those produced by existing approaches. These results highlight the potential of combining reinforcement learning, retrieval, and LLMs for reliable generation of educational physics content.

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

Bridging Data Gaps in Structural Fragility Modeling through Transfer Learning: Methodology and Case Studies

arXiv:2606.18567v1 Announce Type: cross Abstract: This paper presents a methodology-centered transfer learning framework for fragility adaptation under domain shift, class imbalance, and scarce target labels while preserving engineering interpretability and supporting decision-making under uncertainty. Four transfer learning strategies (instance-based, parameter-based, hierarchical Bayesian, and multi-source) are demonstrated through three complementary case studies: (i) instance-based transfer learning via importance weighting, demonstrated on coastal bridge fragility using Hurricane Katrina observations; (ii) parameter-based transfer learning together with hierarchical Bayesian transfer learning, enabling partial pooling across strata and posterior uncertainty quantification, demonstrated on residential building fragility using Hurricane Ian observations; and (iii) multi-source transfer learning that fuses multiple analytical fragility models with learned source weights and regularized target-domain adaptation, demonstrated on seismic bridge fragility using observations from the 2001 Nisqually earthquake. Across these case studies, direct transfer of source models (i.e. using existing state-of-the-art models) fails under domain shift and severe class imbalance, while targeted adaptation substantially improves failure detection and predictive stability in low-data regimes. These findings highlight the need for systematic guidance on diagnostics, strategy selection, and uncertainty reporting when developing and adapting fragility models.

18.
arXiv (quant-ph) 2026-06-25

Halo-Independent Quantum Sensor Probes of Low-Velocity Dark Matter

arXiv:2606.25129v1 Announce Type: cross Abstract: We present a halo-independent framework for sub-GeV dark matter (DM) direct detection using quantum sensors with sub-eV energy thresholds. Such detectors enable access to low DM velocities and may be sensitive to departures from the Standard Halo Model that are challenging to probe with conventional direct DM detection experiments. The method expresses the DM scattering event rate in terms of a detector and particle model-dependent response function, and a universal halo function common to all experiments to be determined from data. This allows the local DM velocity distribution to be constrained. As representative implementations, we consider TES (Al) and MKID (TiN)-like sensors and show that their differing material responses probe complementary regimes of the DM velocity distribution. Applying the framework to mock data derived from several benchmark local halo models, we demonstrate how the assumed halo function could be reconstructed. This framework demonstrates the potential of quantum sensors as a new avenue for mapping the local DM velocity distribution.

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

AI-enhanced tuning of quantum dot Hamiltonians toward Majorana modes

arXiv:2601.02149v4 Announce Type: replace-cross Abstract: We propose a neural network-based model capable of learning the broad landscape of working regimes in quantum dot simulators, and using this knowledge to autotune these devices - based on transport measurements - toward obtaining Majorana modes in the structure. The model is trained in an unsupervised manner on synthetic data in the form of conductance maps, using a physics-informed loss that incorporates key properties of Majorana zero modes. We show that, with appropriate training, a deep vision-transformer network can efficiently memorize relation between Hamiltonian parameters and structures on conductance maps and use it to propose parameters update for a quantum dot chain that drive the system toward topological phase. Starting from a broad range of initial detunings in parameter space, a single update step is sufficient to generate nontrivial zero modes. Moreover, by enabling an iterative tuning procedure - where the system acquires updated conductance maps at each step - we demonstrate that the method can address a much larger region of the parameter space.

20.
arXiv (CS.CL) 2026-06-16

PreLort: Prefix-Nested LoRA for Federated Fine-Tuning under Rank Heterogeneity

Federated fine-tuning of large language models using parameter-efficient methods such as LoRA enables privacy-preserving adaptation of foundation models. Heterogeneous hardware resources introduce challenges, as clients with different adapter ranks cannot be directly aggregated. While existing methods enable aggregation under heterogeneous ranks, they fail to control how information is distributed across rank dimensions, leading to suboptimal use of shared low-rank representations. Instead, we propose PreLort: a nested low-rank formulation for federated LoRA that organizes adapter dimensions into a prefix hierarchy. Our approach ensures that lower-rank dimensions encode task-relevant information, while higher-rank dimensions capture additional capacity. Building on this, we introduce (i) a segment-wise aggregation rule that averages only over clients contributing to each rank segment, avoiding dilution from zero-padded lower-rank clients, and (ii) a prefix-nested training strategy that optimizes each adapter under multiple rank truncations, encouraging useful signal to concentrate in low-rank prefix dimensions. Together, these components encourage a consistent low-rank prefix capturing the most task-relevant information, while higher-rank dimensions learn additional capacity. This allows low-rank clients to benefit from richer information contributed by higher-rank clients, as prefix dimensions are consistently learned and aggregated. Experiments demonstrate that our method consistently outperforms prior heterogeneous federated LoRA methods in accuracy and ROUGE-L, while achieving lower or comparable perplexity across multiple base models.

21.
arXiv (CS.CV) 2026-06-11

Higher order PCA-like rotation-invariant features for detailed shape descriptors modulo rotation

作者:

PCA can be used for rotation invariant features, describing a shape with its $p_{ab}=E[(x_i-E[x_a])(x_b-E[x_b])]$ covariance matrix approximating shape by ellipsoid, allowing for rotation invariants like its traces of powers. However, real shapes are usually much more complicated, hence there is proposed its extension to e.g. $p_{abc}=E[(x_a-E[x_a])(x_b-E[x_b])(x_c-E[x_c])]$ order-3 or higher tensors describing central moments, or polynomial times Gaussian allowing decodable shape descriptors of arbitrarily high accuracy, and their analogous rotation invariants. Its practical applications could be rotation-invariant features to include shape modulo rotation e.g. for molecular shape descriptors, or for up to rotation object recognition in 2D images/3D scans maybe also for 3D scene understanding, or shape similarity metric allowing inexpensive comparison of objects modulo rotation avoiding costly optimization over rotations.

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

DiffAttn: Diffusion-Based Drivers' Visual Attention Prediction with LLM-Enhanced Semantic Reasoning

Drivers' visual attention provides critical cues for anticipating latent hazards and directly shapes decision-making and control maneuvers, where its absence can compromise traffic safety. To emulate drivers' perception patterns and advance visual attention prediction for intelligent vehicles, we propose DiffAttn, a diffusion-based framework that formulates this task as a conditional diffusion-denoising process, enabling more accurate modeling of drivers' attention. To capture both local and global scene features, we adopt Swin Transformer as encoder and design a decoder that combines a Feature Fusion Pyramid for cross-layer interaction with dense, multi-scale conditional diffusion to jointly enhance denoising learning and model fine-grained local and global scene contexts. Additionally, a large language model (LLM) layer is incorporated to enhance top-down semantic reasoning and improve sensitivity to safety-critical cues. Extensive experiments on four public datasets demonstrate that DiffAttn achieves state-of-the-art (SoTA) performance, surpassing most video-based, top-down-feature-driven, and LLM-enhanced baselines. Our framework further supports interpretable driver-centric scene understanding and has the potential to improve in-cabin human-machine interaction, risk perception, and drivers' state measurement in intelligent vehicles.

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

Learning Variable-Length Tokenization for Generative Recommendation

arXiv:2605.17779v2 Announce Type: replace Abstract: Generative recommendation reformulates recommendation as next-token prediction over discrete semantic identifiers (IDs). A fundamental yet unexplored design choice is that existing methods employ fixed-length tokenization for all items, implicitly assuming uniform encoding capacity regardless of item characteristics. Through systematic experiments across four datasets, we discover the Popularity-Length Paradox: popular items achieve optimal performance with short IDs, while tail items require substantially longer codes to capture discriminative semantics. This reveals a critical mismatch where popular items benefit from abundant collaborative signals and require minimal semantic detail, whereas tail items must rely on fine-grained content features due to sparse interaction data. To address this, we propose VarLenRec, a framework for learning variable-length tokenization. We develop Popularity-Weighted Information Budget Allocation (PIBA), an information-theoretic framework proving that optimal ID length should scale as a negative power of popularity. Directly implementing variable-length allocation faces two technical challenges: standard Euclidean residual quantization lacks geometric capacity to support diverse code lengths without distortion, and discrete length decisions are non-differentiable. We address these through Hyperbolic Residual Quantization, which leverages the exponential volume growth of the Poincaré ball to naturally stratify encoding capacity, and a Soft Length Controller, which enables differentiable length prediction via continuous layer retention probabilities regularized by PIBA-derived priors. Extensive experiments demonstrate that VarLenRec achieves significant improvements over state-of-the-art methods in recommendation accuracy and training/inference efficiency, revealing the importance of adaptive encoding capacity in generative recommendation.

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

Constrained Variable Projection for Structured Problems

arXiv:2606.23939v1 Announce Type: cross Abstract: Variable projection is a classical technique for separable nonlinear least-squares problems, in which variables that enter linearly are eliminated exactly, yielding a reduced nonlinear problem. By expressing this framework as a particular instance of a broader class of bilevel optimization problems, we develop a constrained variable-projection framework for data-science models, where the remaining variables are subject to convex constraints and the eliminated variables arise from a lower-level least-squares problem. In particular, by interpreting variable projection as a collapsed bilevel optimization problem, we derive exact reduced-gradient formulas compatible with automatic differentiation and propose a conditional-gradient algorithm for the resulting constrained reduced problem. We establish convergence guarantees under standard smoothness and compactness assumptions, and discuss extensions to structured lower-level variables. Numerical experiments on sparse autoencoding, dictionary learning, blind deconvolution, and few-shot learning suggest that the method can improve wall-clock efficiency and data efficiency relative to natural joint-optimization baselines.

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

Unraveling the Mechanism of Drug Binding to SARS-CoV-2 RNA Pseudoknot with Thermodynamics-Driven Machine Learning

arXiv:2604.14906v3 Announce Type: replace-cross Abstract: The pseudoknot secondary structure in SARS-CoV-2 RNA is essential for regulating protein synthesis through $-$1 programmed ribosomal frameshifting ($-1$ PRF), a mechanism that allows the virus to generate both structural and non-structural proteins from overlapping reading frames. This pseudoknot exhibits both threaded and unthreaded long-lived topologies. The influence of ligand binding on its folding is a process critical for the development of $-$1 PRF small-molecule inhibitors. Understanding this process through unbiased molecular dynamics (MD) simulations can be facilitated by introducing collective variables (CVs) that capture the corresponding slowest dynamical modes. Here, we use spectral map (SM), a thermodynamics-driven machine learning technique, to learn such CVs directly from all-atom MD trajectories of the SARS-CoV-2 RNA pseudoknot in complex with the $-$1 PRF inhibitor merafloxacin and its two structural analogs in neutral and ionized forms. Free-energy landscapes (FELs) derived from the learned CVs indicate that ligand-induced destabilization is topology-selective. In the threaded pseudoknot, the inhibitors destabilize the S2 stem, while in the unthreaded pseudoknot, destabilization occurs in the S1 and S3 stems. Furthermore, the extent to which each ligand reshapes the FEL matches experimentally reported antiviral potency, whereas the protonation state qualitatively alters dynamics within the same RNA topology. Overall, our results show how pseudoknot topology, ligand type, and protonation state collectively influence the slow conformational dynamics of viral RNA and establish physiological protonation as a critical factor for modeling RNA-targeted drug action.