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01.
PLOS Medicine 2026-05-11

Connected or chained by social media? Child and adolescent mental health in a digital era

作者:

by Silja Kosola Social media has evolved from connection to compulsion, disproportionately harming children and adolescents. Addictive designs together with developmental vulnerability fuel mental health risks and highlight the urgent need for stricter age limits and stronger protections. In this Perspective, Silja Kosola outlines how social media disproportionately harms child and adolescent mental health, and argues that while recent policy changes aimed at protecting youth from social media are welcome, stricter age limits and greater accountability of social media companies are needed.

02.
arXiv (CS.CL) 2026-06-25

Aligning Human-AI-Interaction Trust for Mental Health Support: Survey and Position for Multi-Stakeholders

Building trustworthy AI systems for mental health support is a shared priority across stakeholders from multiple disciplines. However, "trustworthy" remains loosely defined and inconsistently operationalized. AI research often focuses on technical criteria (e.g., robustness, explainability, and safety), while therapeutic practitioners emphasize therapeutic fidelity (e.g., appropriateness, empathy, and long-term user outcomes). To bridge the fragmented landscape, we propose a three-layer trust framework, covering human-oriented, AI-oriented, and interaction-oriented trust, integrating the viewpoints of key stakeholders (e.g., practitioners, researchers, regulators). Using this framework, we systematically review existing AI-driven research in mental health domain and examine evaluation practices for ``trustworthy'' ranging from automatic metrics to clinically validated approaches. We highlight critical gaps between what NLP currently measures and what real-world mental health contexts require, and outline a research agenda for building socio-technically aligned and genuinely trustworthy AI for mental health support.

03.
PLOS Computational Biology 2026-06-05

StPedf: Cell trajectory inference of spatial transcriptomics via spatial proximity embedding and spatial density-adaptive fusion

作者:

by Yuan Zhang, Ziyan Sun, Zhixin Shi, Mengdi Nan, Yuhan Fu, Qing Ren, Jie Gao Spatial transcriptomics is transforming our multidimensional understanding of cellular spatial organization and its functional mechanisms in processes such as development and disease by systematically resolving the spatial heterogeneity of gene expression within tissues. To delve deeper into the dynamic processes underlying spatial expression patterns, spatial trajectory inference integrates genetic and spatial information to reconstruct the spatial developmental trajectories of cells within tissues. This approach reveals the patterns of differentiation and dynamic changes as cellular states evolve continuously along spatial axes. However, existing methods often struggle to uniformly model the complex, nonlinear interactions between high-dimensional gene expression and spatial coordinates. Here, we introduce StPedf, whose core lies in employing a neural network with a masking mechanism to capture complex nonlinear interactions between high-dimensional genes and spatial positions. It further leverages spatial proximity information as a guiding cue, dynamically and adaptively adjusting the embedding of gene and spatial information and the weighting of spatial proximity information based on spatial density. This enables trajectory inference guided by spatial information. This enables optimal transport to derive intercellular transition matrices, reconstruct cellular differentiation trajectories, and construct pseudo-spatiotemporal maps. StPedf demonstrates superior performance over existing methods on five structurally distinct simulated datasets. Using StPedf, we successfully mapped distinct lineages in the spatial trajectories of telencephalon regeneration in the Ambystoma mexicanum, multiple malignant lineages expanding within primary tumors, and developmental spatial trajectories and pseudo-spatiotemporal maps in human dorsolateral prefrontal cortex (DLPFC). StPedf significantly enhances the accuracy and interpretability of spatial trajectory inference, providing critical technical support for revealing the dynamic patterns of cellular fate transitions within tissue microenvironments.

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

Decoding Insect Song: A Multitask Semisupervised Orthoptera Bioacoustic Classifier

arXiv:2606.13236v1 Announce Type: cross Abstract: Passive acoustic monitoring holds great promise for ecological inference, yet existing automated tools are typically narrowly trained and non-transferable. We address these limitations with PULSE, a semi-supervised, multi-task framework for Orthoptera bioacoustics, combining weakly-supervised species classification, self-supervised learning on unlabelled field audio, and knowledge distillation from a general-purpose bioacoustic model. Our domain-adapted specialist model outperforms a state-of-the-art general model across all metrics (macro F1: 0.21 vs. 0.07; AUC: 0.74 vs. 0.45; AP: 0.32 vs. 0.19), with active learning further raising F1 to 0.34 and AUC to 0.84. Beyond classification, the learned embeddings encode ecologically meaningful structure, exposed through an interactive visualisation tool for ecological discovery.

05.
arXiv (CS.AI) 2026-06-12

LLM-as-an-Investigator: Evidence-First Reasoning for Robust Interactive Problem Diagnosis

arXiv:2606.13220v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly used as interactive assistants for technical problem solving. However, when users provide incomplete descriptions or plausible but unverified explanations, LLMs may prematurely align with these assumptions and propose solutions before collecting sufficient evidence. We refer to this behavior as user-driven sycophancy: the tendency of an LLM to reinforce a user-provided hypothesis instead of testing alternative explanations. This paper introduces LLM-as-an-Investigator, an evidence-first agentic AI methodology for robust problem diagnosis. The approach is implemented through a Solution Investigator Agent, which estimates the ambiguity of an initial problem description, generates candidate hypotheses, asks targeted clarification questions, and updates hypothesis probabilities after each answer. Rather than producing an immediate response, the agent continues the investigation until the evidence makes one candidate explanation stronger than the alternatives. To evaluate the approach, we build a benchmark from solved technical forum threads in mechanical, electrical, and hydraulic domains. We use a three-agent evaluation pipeline in which a Problem-Solution Extractor Agent converts solved threads into structured cases, a Ground-Truth Evaluator Agent simulates the user while hiding the known solution, and the tested assistant attempts to recover the solution through dialogue. The experiments compare standard assistants, reasoning-oriented LLMs, and the proposed investigator-based model across LLM backbones. In addition to diagnostic accuracy, we analyze how standard assistants follow misleading user hypotheses in diagnostic cases. The results show that the proposed approach identifies the problem more accurately than direct prompting and reasoning-only baselines, while its evidence-first protocol helps reduce user-induced conversational bias.

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

Selection principles for quasi-stationary distributions and reinforcement processes

arXiv:2606.25857v1 Announce Type: new Abstract: Let \(P\) be a sub-Markov matrix on a finite set \(S\), representing the transition probabilities of a Markov chain on \(S\) absorbed at a cemetery point \(\partial\notin S\). We consider a reinforced process \((X_n,\mu_n)\) defined as follows: \((X_n)\) behaves like a chain with kernel \(P\) until it dies, and when it dies at time \(n\), it is instantaneously ``resurrected'' at a point sampled according to its weighted past occupation measure \[ \mu_n = \frac1{W_n} \left( w_0\mu_0+\sum_{k=1}^n w_k\delta_{X_k} \right), \qquad W_n=\sum_{k=0}^n w_k, \] where the positive weights $w_k$ satisfy certain technical assumptions, a typical example being given by $w_k = k^q$, with $q\geq -1$. When \(P\) is irreducible, the behaviour of \((\mu_n)\) is well understood [AFP], [bansaye2022non]: it converges almost surely toward the unique quasi-stationary distribution (QSD) of \(P\). The purpose of this paper is to investigate the general situation where \(P\) is not irreducible. Under generic assumptions on \(P\), there are finitely many QSDs. We prove that the asymptotic selection depends on the summability of the inverse cumulative weights \(1/W_n\). If \[ \sum_{n\geq0}\frac1{W_n}=\infty, \] then \((\mu_n)\) almost surely converges toward the QSD associated with the largest Perron value. If instead \[ \sum_{n\geq0}\frac1{W_n}0\).

08.
arXiv (CS.LG) 2026-06-19

EQPO: Equitable Group Relative Policy Optimization for Clinical Reasoning

arXiv:2510.19893v2 Announce Type: replace Abstract: Medical AI systems demonstrated impressive diagnostic performance, yet they routinely show uneven accuracy across demographic groups, disadvantaging underrepresented populations. Although multimodal reasoning foundation models have pushed clinical diagnosis forward, reinforcement learning-based post-training tends to absorb and magnify the biases present in majority-dominated training corpora. We propose Equitable Group Relative Policy Optimization (EQPO), a hierarchical reinforcement learning method that encourages balanced learning across heterogeneous clinical populations by adaptively reweighting samples according to subgroup representation, task difficulty, and data source. As demographic annotations are frequently missing in real-world clinical data, EQPO additionally applies unsupervised clustering to recover latent subpopulations when they are unavailable. On 7 diagnostic benchmarks covering 5 modalities (X-ray, CT, dermoscopy, mammography, ultrasound), EQPO reduces F1 standard deviation by 43.9% and the maximum cross-group F1 gap by 42.7% on QoQ-Med3-8B over vanilla GRPO, and narrows predictive parity gaps by 27.2% on MedGemma-4B over bias-mitigated RL baselines while raising F1 by 12.5% even without any demographic labels. Examining the training trajectory shows that EQPO steadily improves fairness over the course of optimization, in contrast to baseline methods whose fairness degrades as training proceeds, and the discovered implicit groups remain stable and align with masked demographic attributes. We further release EquiMedGemma-4B and EquiQoQ-Med3-8B, equitability-aware clinical VLLMs that attain state-of-the-art accuracy with markedly smaller demographic gaps.

09.
arXiv (quant-ph) 2026-06-11

Strong-field control of the $Z$-boson resonance in $e^+e^-$ collisions

arXiv:2606.09394v2 Announce Type: replace-cross Abstract: Resonant $Z$-boson production is a cornerstone of precision electroweak physics, with its vacuum line shape set by the $Z$ mass, width, and collision kinematics. We show that a strong laser field can significantly alter this picture. By treating the field nonperturbatively, we find that laser dressing of the incoming fermions alters the effective collision kinematics and opens laser-photon exchange channels, including multiphoton processes, in $e^{+}e^{-}$ collisions. As a result, the $Z$-resonance profile develops distinct intensity-dependent regimes, evolving from the vacuum limit to saturation at intermediate field strengths and to an approximately quadratic enhancement at higher intensities. Additionally, the polarization composition of the produced $Z$ bosons is redistributed. In particular, at high intensities the laser-induced contribution can compensate the intrinsic chiral asymmetry of the electroweak interaction, leading to nearly parity-balanced $Z$-boson production. Our results identify that strong classical fields can dynamically control electroweak resonance phenomena, opening a bridge between strong-field QED and high-energy collider physics.

10.
bioRxiv (Bioinfo) 2026-06-18

Bioinf-Farma: supervised integration of epitope prediction and recombinant protein developability for automated vaccine candidate prioritization

Vaccine antigen discovery requires prioritizing protein candidates according to both immunogenic potential and recombinant expression feasibility. These properties are typically evaluated using separate computational tools, requiring researchers to integrate heterogeneous outputs through ad hoc workflows. Here, we present BIOINF-farma, a modular platform integrating epitope prediction and developability assessment for rational antigen selection within a unified environment. Candidates can be submitted as amino acid sequences or three-dimensional structures. When experimental structures are unavailable, BIOINF-farma automatically searches for models in AlphaFold DB or performs structure prediction using Boltz-2, ensuring a standardized structural representation for downstream analyses. Antigenicity is quantified by combining structure-based conformational epitope signals (MLCE/REBELOT-BEPPE) and sequence-based linear epitope propensity scores (BepiPred 3.0) into a protein-level Antigenicity Score, with a classification threshold optimized on a manually curated validation dataset. Developability is evaluated through two supervised Random Forest meta-learners that integrate three solubility predictors (DeepSoluE, SoluProt, Protein-Sol) and three thermal stability predictors (TemStaPro, ProLaTherm, BertThermo), whose outputs are combined into an Expression Efficiency Score (EES). By integrating complementary predictive signals, the meta-learning framework achieves greater accuracy and robustness than individual predictors while maintaining performance across a broad range of sequence identities. The Antigenicity Score effectively discriminates antigenic from non-antigenic proteins with a large effect size, whereas EES successfully distinguishes soluble from insoluble outcomes on an independent panel of recombinant proteins expressed in Escherichia coli. BIOINF-farma jointly assesses antigenicity and expression feasibility within a single framework. Its modular architecture facilitates the incorporation of future predictive methods, while its web-based interface makes the full pipeline accessible to users without programming expertise, supporting rapid candidate triage in vaccine research and emerging pathogen responses.

11.
medRxiv (Medicine) 2026-06-18

Distinct Neuronal, Proliferative, and Secretory Pathways are Perturbed in Cancer Survivors with Depressive Symptoms

Introduction Depression is highly prevalent among cancer survivors and may be biologically distinct, although clinical studies investigating these mechanisms remain limited. Thus, the aims of this study were to (1) identify perturbed biological pathways associated with depressive symptom severity in cancer survivors, and (2) investigate whether these pathways are common or distinct to those perturbed in an age-matched non-cancer cohort. Methods We analyzed cross-sectional self-reported and transcriptomic data from the Multi-Ethnic Study of Atherosclerosis (PHD #39341). Cancer survivors and an age-matched non-cancer cohort (target ratio 1:2) were identified. The 20-item Center for Epidemiologic Studies Depression Scale (CES-D) was used to split participants into low (CES-D

12.
arXiv (CS.LG) 2026-06-25

Lifelong In-Context Learning with Transformers Requires Parametric Forms of Attention

arXiv:2606.25342v1 Announce Type: new Abstract: Lifelong continual learning remains an obstacle on the path to human-like intelligence. Modern transformers show sparks of intelligence with in-context learning. The quadratic nature of attention, however, prohibits transformers from performing this process on arbitrarily long sequences. In this work, we argue that extending in-context learning to lifelong settings is a practical solution for continual learning in AI agents. In particular, we argue that parametric forms of attention are needed to understand a lifetime of context with transformers on a fixed hardware budget. These attention mechanisms learn the relationship between keys and their associated values at test-time with parametric regression. Our generalization of parametric approaches (linear attention, state-space models, fast weight programmers, and test-time training layers) contrasts with nonparametric counterparts like softmax attention. They replace the ever-growing key-value cache with an online-trainable neural network, maintaining a constant memory footprint. We highlight how parametric attention currently fall short of lifelong learning due to limited memory capacity or costly online updates. To address these issues, we pose a set of open questions with novel insights to guide the field toward long-horizon agents.

13.
arXiv (CS.LG) 2026-06-12

A Stabilized Path-Space Approach to Diffusion-Based Posterior Sampling

arXiv:2606.12710v1 Announce Type: new Abstract: Diffusion models provide expressive data-driven priors for Bayesian inverse problems, but many diffusion posterior samplers rely on heuristic guidance approximations that can fail for nonlinear operators and multimodal posteriors. In this work, we develop a stabilized path-space framework for diffusion-based posterior sampling. Starting from a base diffusion process whose terminal marginal represents the prior, we define a likelihood-weighted target measure on trajectories and cast posterior sampling as learning a controlled stochastic process whose path measure matches this target. This formulation connects diffusion posterior sampling to stochastic optimal control while preserving the Bayesian structure needed for uncertainty quantification. We introduce a time reparameterization that makes the path-space control problem well posed by removing the bias induced by the unknown initial value function, without auxiliary training. We then learn the control via a trust-region path-space optimization method with log-variance objectives. The path-space perspective also unifies our learned control approach with existing guidance-based samplers, quantifies the sampling error induced by approximate controls, and yields importance sampling corrections for asymptotically exact posterior expectations. We evaluate the proposed framework on a suite of benchmark inverse problems with analytically characterized or high-quality reference posteriors, enabling principled assessment of sampling accuracy and uncertainty quantification. These experiments provide insight into the behavior of diffusion-based posterior samplers and demonstrate improved accuracy and robustness over leading approaches.

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

Global Ease of Living Index: a machine learning framework for longitudinal analysis of major economies

arXiv:2502.06866v3 Announce Type: replace-cross Abstract: The drastic changes in the global economy, geopolitical conditions, and disruptions such as the COVID-19 pandemic have impacted the cost of living and quality of life. It is essential to comprehend the long-term implications of the cost of living and quality of life in major economies. A transparent and comprehensive living index must include multiple dimensions of living conditions. In this study, we present an approach to quantifying the quality of life through the Global Ease of Living Index that combines various socio-economic and infrastructural factors into a single composite score. Our index utilises economic indicators that define living standards, which could help in targeted interventions to improve specific areas. We present a machine learning framework to address missing data for certain economic indicators in specific countries. We then curate and update the data and use a dimensionality reduction approach (Principal Component Analysis and Factor Analysis) to create the Ease of Living Index for major economies since 1970. Our work significantly adds to the literature by offering a practical tool for policymakers to identify areas needing improvement, such as healthcare systems, employment opportunities, and public safety. Our approach with open data and code can be easily reproduced and applied to various contexts, providing transparency and accessibility for ongoing research and policy development in quality-of-life assessment.

15.
arXiv (CS.CV) 2026-06-17

Bridging Modality Disconnect in Self-Reflection via Closed-Loop Visually Grounded Verification

In the era of Vision-Language Models (VLMs), enhancing multimodal reasoning capabilities remains a critical challenge, particularly in handling ambiguous or complex visual inputs, where initial inferences often lead to hallucinations or logic errors. Existing VLMs often produce plausible yet ungrounded answers, and even when prompted to "reflect", their corrections may remain detached from the image evidence. To address this, we propose the MIRROR framework for Multimodal Iterative Reasoning via Reflection On visual Regions. By embedding visual reflection as a core mechanism, MIRROR is formulated as a closed-loop process comprising draft, critique, region-based verification, and revision, which are repeated until the output is visually grounded. To facilitate training of this model, we construct **ReflectV**, a visual reflective dataset for multi-turn supervision that explicitly contains reflection triggers, region-based verification actions, and answer revision grounded in visual evidence. Experiments on both general vision-language benchmarks and representative vision-language reasoning benchmarks show that MIRROR improves correctness and reduces visual hallucinations, demonstrating the value of training reflection as an evidence-seeking, region-aware verification process rather than a purely textual revision step.

16.
arXiv (quant-ph) 2026-06-24

Conditional channel entropy sets fundamental limits on thermodynamic quantum information processing

arXiv:2604.01217v2 Announce Type: replace Abstract: The thermodynamic resourcefulness of quantum channels primarily depends on their underlying causal structure and their ability to generate quantum correlations. We quantify this interplay within the resource theory of athermality for bipartite quantum channels in the presence of a side channel acting as memory, referred to as the resource theory of conditional athermality. For channels with trivial output Hamiltonians, we characterize the optimal one-shot rates for distilling the identity gate from a given channel, as well as the cost of simulating the channel using the identity gate, under conditional Gibbs-preserving superchannels. We show that these rates have a direct trade-off relation with the conditional channel entropies, attributing operational significance to signaling in quantum processes. Furthermore, we establish an asymptotic equipartition property for the conditional channel min-entropy for classes of channels that are either tele-covariant or no-signaling from the non-conditioning input to the conditioning output. As a consequence, we demonstrate asymptotic reversibility of the resource theory for these channels. The asymptotic conditional athermality capacity of a tele-covariant channel is half the superdense coding capacity of its Choi state. Our work establishes the conditional channel entropy as a primitive information-theoretic concept for quantum processes, elucidating its potential for wider applications in quantum information science.

17.
arXiv (quant-ph) 2026-06-15

Calibrated Helstrom geometry on the Bloch ball via Connes spectral distance

arXiv:2606.13824v1 Announce Type: new Abstract: We show that the equal-prior Helstrom trace-distance geometry of qubit states is recovered from Connes spectral distance in a finite scalar-qubit-scalar model. The two scalar reference sectors couple isotropically to the qubit block through identity Dirac links, so that the full Bloch ball, including mixed states, inherits its standard chordal trace-distance geometry from the finite spectral metric. The scalar-sector distances serve a distinct calibration role: they determine the individual link lengths, satisfy a Pythagorean consistency relation, and reconstruct the middle-sector scale.

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

Resource-state Quantum RAM for Fast and Error-Correctable Queries

arXiv:2503.19172v2 Announce Type: replace Abstract: Quantum devices can process data in a fundamentally different way than classical computers. To leverage this potential, many algorithms require the aid of a quantum Random Access Memory (QRAM), i.e. a module capable of efficiently loading datasets onto the quantum processor. However, a realisation of this building block is still outstanding due to its formidable resource requirements, which become even more demanding in quantum error-correction schemes. Here we show that the challenge of implementing QRAM can be entirely reduced to a state-preparation problem: since such resource-state is independent on the memory, our approach allows one to prepare it offline, opening the door to new design strategies. As an example, we introduce a heralded 'QRAM factory' which enables improved fidelities with high acceptance rate. More broadly, our results introduce the concept of resource-state QRAM: we study its performance in noisy settings, showing that it preserves the noise-resilience of standard QRAM, and discuss how it can be efficiently combined with quantum error-correction. Finally, we propose an implementation with neutral-atom hardware, where our analysis suggests that high-fidelity and low-latency queries can be implemented.

19.
Science (Express) 2026-05-28

A Hormone Cell Atlas maps the human endocrine system at cellular resolution | Science

作者: 未知作者

Hormones act across tissues and organs to coordinate physiological functions. Drawing inspiration from the Human Cell Atlas, we analyzed expression of 379 hormone and receptor genes in a transcriptomic dataset comprising 14 million single cells and nuclei across 47 human tissues. Using hormone2cell, we mapped putative hormone-producing and hormone-receiving cell types, defining tissue-specific and cross-tissue endocrine signatures. We predicted non-classical sites of hormone expression, including secretin in plasmacytoid dendritic cells, inferred convergent hormone action and endocrine feedback loops, and implicated cell populations in monogenic endocrine disorders. In a cross-tissue integration of adipocyte datasets, we uncovered dynamic endocrine programs across depots, within adipocyte subtypes and through adipogenic differentiation. Cumulatively, the Hormone Cell Atlas ( hormonecellatlas.org.uk ) provides a comprehensive framework for dissecting hormonal impact on health and disease.

20.
bioRxiv (Bioinfo) 2026-06-13

Virus-human protein-protein interactions predict viral phenotypes

Viral phenotypes such as host and tissue tropism are critical determinants of viral infection and transmission. Inferring viral phenotypes presents unique challenges compared to cellular organisms, as viruses rely entirely on host machinery for replication and survival. Current methods for predicting viral phenotypes mainly rely on viral genomic data, often overlooking host-related information. Here, we evaluated the utility of predicted virus-human protein-protein interactions (PPIs) in inferring diverse viral phenotypes using machine-learning algorithms. For predicting human infectivity, a PPI-based machine learning model outperformed both virus genomic and protein sequence-based models that used large language model embeddings. It also surpassed previous methods that incorporated both viral and host genomic data. The human proteins identified by the model were significantly enriched in functions related to viral infection and immune response. In predicting various phenotypes of human RNA viruses, PPI-based models performed better than virus sequence-based models in forecasting virulence, human transmissibility and transmission routes, while showing comparable performance to genomic sequence-based models in predicting tissue tropism. Finally, we demonstrated that a PPI-based model could distinguish high-risk HPV genotypes from low-risk ones. Proteins associated with high-risk HPV were involved in apoptosis and immune regulation, whereas those linked to low-risk HPV were enriched in telomere maintenance and DNA repair. Collectively, this study is the first to demonstrate the value of predicted virus-human PPIs in inferring viral phenotypes, thereby enhancing our understanding of the molecular mechanisms underlying these phenotypes. It also provides effective tools for risk assessment of emerging viruses, contributing to improved pandemic preparedness.

21.
arXiv (CS.CV) 2026-06-24

BenchX: Benchmarking AI Models for Cancer Detection and Localization with Demographic and Protocol Biases

Artificial intelligence (AI) has achieved remarkable success in medical imaging, but it is widely recognized that these models often perform inconsistently across real-world clinical settings. Such inconsistencies occur when patient demographics and imaging protocols vary, for example, in detecting small tumors, analyzing scans from different contrast phases, or evaluating patients of different ages or sexes. To quantify these inconsistencies, we develop a large-scale, open benchmark of 85,355 CT scans that systematically evaluates 12 tumor-detection AI models across tumor size, location, patient subgroup, and imaging protocol. We leverage large language models (LLMs) to extract and organize subgroup information from clinical data, which makes the analysis both scalable and reproducible. Our benchmark reveals that current state-of-the-art AI models, optimized for average accuracy, perform poorly in rare or underrepresented subgroups, such as young, female African Americans. However, collecting sufficient annotated data for these rare cases is often impractical. The benchmark provides a foundation for building more reliable and robust AI models for tumor detection and highlighting the need for rigorous, subgroup-level evaluation in medical imaging and computer vision. Datasets, code

22.
arXiv (CS.AI) 2026-06-25

Why Pool When You Can Flow? Active Learning with GFlowNets

arXiv:2509.00704v2 Announce Type: replace-cross Abstract: The scalability of pool-based active learning is limited by the computational cost of evaluating large unlabeled datasets, a challenge that is particularly acute in virtual screening for drug discovery. While active learning strategies such as Bayesian Active Learning by Disagreement (BALD) prioritize informative samples, it remains computationally intensive when scaled to libraries containing billions samples. In this work, we introduce BALD-GFlowNet, a generative active learning framework that circumvents this issue. Our method leverages Generative Flow Networks (GFlowNets) to directly sample objects in proportion to the BALD reward. By replacing traditional pool-based acquisition with generative sampling, BALD-GFlowNet achieves scalability that is independent of the size of the unlabeled pool. In our virtual screening experiment, we show that BALD-GFlowNet achieves a performance comparable to that of standard BALD baseline while generating more structurally diverse molecules, offering a promising direction for efficient and scalable molecular discovery.

23.
arXiv (CS.LG) 2026-06-16

One-Step Generalization Ratio Guided Optimization for Domain Generalization

arXiv:2606.16301v1 Announce Type: new Abstract: Domain Generalization (DG) aims to train models that generalize to unseen target domains but often overfit to domain-specific features, known as undesired correlations. Gradient-based DG methods typically guide gradients in a dominant direction but often inadvertently reinforce spurious correlations. Recent work has employed dropout to regularize overconfident parameters, but has not explicitly adjusted gradient alignment or ensured balanced parameter updates. We propose GENIE (Generalization-ENhancing Iterative Equalizer), a novel optimizer that leverages the One-Step Generalization Ratio (OSGR) to quantify each parameter's contribution to loss reduction and assess gradient alignment. By dynamically equalizing OSGR via a preconditioning factor, GENIE prevents a small subset of parameters from dominating optimization, thereby promoting domain-invariant feature learning. Theoretically, GENIE balances convergence contribution and gradient alignment among parameters, achieving higher OSGR while retaining SGD's convergence rate. Empirically, it outperforms existing optimizers and enhances performance when integrated with various DG and single-DG methods.

24.
arXiv (quant-ph) 2026-06-16

Optimizing Wigner Negativity in Scattering Processes Using Energetic Cost Functions

arXiv:2606.15101v1 Announce Type: new Abstract: Wigner negativities (WNs) are key signatures of non-Gaussian bosonic states and essential resources for quantum technologies. We study their generation in the scattering of coherent pulses by a two-level atom coupled to a one-dimensional reservoir, a unitary and energy-preserving platform. Optimization in this multimode setting is hindered by the complexity of evaluating Wigner functions. We overcome this challenge by introducing energetic cost functions that identify output modes most likely to host large negativities. First using incoherent energy and then isolating a genuinely non-Gaussian contribution, we demonstrate a strong correlation between these quantities and WNs. This correlation extends beyond short, intense pulses to encompass pulses of finite energy, where photons are scattered while the two-level atom is driven. Focusing on the energy-efficiency of the process, we show that maximally efficient generation takes place for one input photon, on average, spectrally mode-matched with the atom.

25.
arXiv (CS.CV) 2026-06-16

MIRAGE: Runtime Scheduling for Multi-Vector Image Retrieval with Hierarchical Decomposition

To effectively leverage user-specific data, retrieval augmented generation (RAG) is employed in multimodal large language model (MLLM) applications. However, conventional retrieval approaches often suffer from limited retrieval accuracy. Recent advances in multi-vector retrieval (MVR) improve accuracy by decomposing queries and matching against segmented images. They still suffer from sub-optimal accuracy and efficiency, overlooking alignment between the query and varying image objects and redundant fine-grained image segments. In this work, we present an efficient scheduling framework for image retrieval - MIRAGE. First, we introduce a novel hierarchical paradigm, employing multiple intermediate granularities for varying image objects to enhance alignment. Second, we minimize redundancy in retrieval by leveraging cross-hierarchy similarity consistency and hierarchy sparsity to minimize unnecessary matching computation. Furthermore, we configure parameters for each dataset automatically for practicality across diverse scenarios. Our empirical study shows that, MIRAGE not only achieves substantial accuracy improvements but also reduces computation by up to 3.5 times over the existing MVR system.