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01.
bioRxiv (Bioinfo) 2026-06-19

OmniPath Metabo: chemical structures, interactions and mechanisms to study the metabolome

作者:
Schaul↗Bai↗Franken↗Lawrence↗Palacio-Escat↗Bottazzi↗Carreno↗Daley↗Gul↗Sahin↗Mananes↗Bohar↗…

Mechanistic and functional analysis of omics data largely relies on the incorporation of prior knowledge; however, connecting metabolomics data and knowledge is a major methodological challenge. This is largely driven by the diverse prior knowledge being fragmented across many databases requiring the merging of different database records across chemical structures, identifiers, and varying levels of structural specificity. Hence, this limits mechanistic interpretation and functional characterisation of the metabolome. Here, we present OmniPath Metabo, a comprehensive, harmonized, metabolome-centric database covering metabolites, lipids, food-derived compounds, and small molecule drugs, along with their associated receptors, transporters, enzymes, reactions, allosteric regulators, and disease associations. OmniPath Metabo harmonizes attributes using controlled vocabularies and ontologies, structures and built-in cheminformatics to map identifiers and track ambiguity. OmniPath Metabo is built directly from 40+ original resources and is freely accessible via an interactive web app and API at metabo.omnipathdb.org. OmniPath Metabo enables dynamic, context-specific construction of subnetworks to serve dedicated purposes, such as cell-cell communication or integrated multi-omics metabolite-driven regulation, connecting reactions, allosteric regulation, metabolite-receptor and metabolite-transporter interactions. Combining it with the over 170 other resources in OmniPath, it can be used for integrated networks of signaling, gene regulation, and metabolism. We showcase the application of OmniPath Metabo by analysing publicly available metabolomics data of lung cancer cell lines and metabolic footprints to mutational patterns. In summary, OmniPath Metabo transforms fragmented resources into a harmonised prior knowledge framework for a mechanistic and functional analysis of the metabolome.

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02.
arXiv (CS.LG) 2026-06-12

Contrastive Geometric Learning Unlocks Unified Structure- and Ligand-Based Drug Design

作者:
Lisa Schneckenreiter↗Sohvi Luukkonen↗Lukas Friedrich↗Daniel Kuhn↗G\"unter Klambauer↗

arXiv:2601.09693v3 Announce Type: replace Abstract: Structure-based and ligand-based computational drug design have traditionally relied on disjoint data sources and modeling assumptions, limiting their joint use at scale. In this work, we introduce Contrastive Geometric Learning for Unified Computational Drug Design (ConGLUDe), a single contrastive geometric model that unifies structure- and ligand-based training. ConGLUDe couples a geometric protein encoder that produces whole-protein representations and implicit embeddings of predicted binding sites with a fast ligand encoder, removing the need for predefined pockets. By aligning ligands with both global protein representations and multiple candidate binding sites through contrastive learning, ConGLUDe supports ligand-conditioned pocket prediction in addition to virtual screening and target fishing, while being trained jointly on protein-ligand complexes and large-scale bioactivity data. Across diverse benchmarks, ConGLUDe achieves competitive zero-shot virtual screening performance, substantially outperforms existing methods on a challenging target fishing task, and demonstrates state-of-the-art ligand-conditioned pocket selection. These results highlight the advantages of unified structure-ligand training and position ConGLUDe as a step toward general-purpose foundation models for drug discovery.

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

The Environmental Cost of LLMs in AIED: Reporting and Practices

作者:
Sabrina C. Eimler↗Lukas Erle↗Daniel Flood↗Aditi Haiman↗Luca H\"ackert↗Andr\'e Helgert↗Lachlan McGinness↗B\"usra Yapici↗

arXiv:2606.11215v1 Announce Type: cross Abstract: Large Language Model (LLM) usage in recent years has become increasingly widespread in the Artificial Intelligence in Education (AIED) community. While LLMs offer unique avenues for learners and educators, using LLMs comes with computational and environmental costs. These costs are mostly hidden due to a lack of standardised procedures to measure and report these impacts. To address this gap, we first conducted a literature review of all papers published as part of the AIED 2025 conference proceedings, determining if and how computational or environmental costs of LLMs are reported. Most projects use LLMs, but few report computational resources used and almost none discuss environmental impacts of LLMs as an ethical concern. To address this lack of standardised reporting practices, we propose an open-source method for systematically measuring and reporting the computational expense of LLMs and environmental impact of running Machine Learning (ML) AIED systems. We provide software solutions to measure the carbon footprint for both local and cloud based hardware. We also provide an easy-to-use formula to calculate the computational expense of frontier LLMs even when the exact number of parameters is not known. Overall, we hope to motivate colleagues to use our method to strive for more transparent reporting of hidden costs of using LLMs in the AIED community.

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04.
arXiv (CS.AI) 2026-06-17

Learning Fair Pareto-Optimal Policies in Multi-Objective Reinforcement Learning

作者:
Umer Siddique↗Peilang Li↗Yongcan Cao↗

arXiv:2606.18111v1 Announce Type: cross Abstract: Fairness is an important aspect of decision-making in multi-objective reinforcement learning (MORL), where policies must ensure both optimality and equity across multiple, potentially conflicting objectives. While single-policy MORL methods can learn fair policies for fixed user preferences using welfare functions such as the generalized Gini welfare function (GGF), they fail to provide the diverse set of policies necessary for dynamic or unknown user preferences. To address this limitation, we formalize the fair optimization problem in multi-policy MORL, where the goal is to learn a set of Pareto-optimal policies that ensure fairness across all possible user preferences. Our key technical contributions are threefold: (1) We show that for concave, piecewise-linear welfare functions (e.g., GGF), fair policies remain in the convex coverage set (CCS), which is an approximated Pareto front for linear scalarization. (2) We demonstrate that non-stationary policies, augmented with accrued reward histories, and stochastic policies improve fairness by dynamically adapting to historical inequities. (3) We propose three novel algorithms, which include integrating GGF with multi-policy multi-objective Q-Learning (MOQL), state-augmented multi-policy MOQL for learning non-statoinary policies, and its novel extension for learning stochastic policies. We evaluate our algorithms across various domains and compare our methods against the state-of-the-art MORL baselines. The empirical results show that our methods learn a set of fair policies that accommodate different user preferences.

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

Pepti-Agent: An AI Agent for Peptide Design and Optimization

作者:
Houxu Chen↗Achuth Chandrasekhar↗Amir Barati Farimani↗

Therapeutic peptides occupy a valuable design space between small molecules and biologics, but their development requires satisfying several competing constraints at once: solubility, hemolytic activity, and nonspecific surface fouling are governed by overlapping sequence features, so improving one property often degrades another. Computational design addresses this by pairing generative models with sequence-based property predictors, iteratively proposing and refining candidates. However, these components are typically wired together as monolithic scripts that are difficult to inspect, extend, or reuse, and they often refine sequences by natural-language reasoning rather than by tracking the evolving multi-property state of each candidate. We present Pepti-Agent, a closed-loop, peptide-specific framework that exposes generation, property prediction, and single-residue mutation as independently inspectable Model Context Protocol (MCP) tools. A large language model controller invokes these tools and consults live predictor output between calls, so refinement is guided by each sequence's current property profile rather than by language reasoning alone. Task-specific PeptideGPT models generate candidates, ProtBERT-based classifiers score solubility, hemolysis, and non-fouling, and two interchangeable mutation operators propose sequence edits. By recording a per-step trace of controller decisions, predictor outputs, and accepted mutations, Pepti-Agent offers a reproducible substrate for benchmarking multi-objective design strategies and for prioritizing candidates for experimental validation.

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

Noise-induced shallow circuits and absence of barren plateaus

作者:
Antonio Anna Mele↗Armando Angrisani↗Soumik Ghosh↗Sumeet Khatri↗Jens Eisert↗Daniel Stilck Fran\c{c}a↗Yihui Quek↗

arXiv:2403.13927v3 Announce Type: replace Abstract: Motivated by realistic hardware considerations of the pre-fault-tolerant era, we comprehensively study the impact of uncorrected noise on quantum circuits. We first show that in the task of estimating observable expectation values any noise truncates most quantum circuits to effectively logarithmic depth. We then prove that quantum circuits under any non-unital noise do not exhibit barren plateaus for cost functions composed of local observables. However, by using the effective shallowness, we also design an efficient classical algorithm to estimate observable expectation values within any constant additive accuracy, with high probability over the choice of the circuit, in any circuit architecture. Taken together, our results establish that, unless we carefully engineer quantum circuits to take advantage of the noise, noisy quantum circuits are unlikely to offer an advantage over shallow ones for algorithms that output observable expectation value estimates, such as many variational quantum machine learning proposals.

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07.
arXiv (CS.CV) 2026-06-16

You Don't Need Strong Assumptions: Visual Representation Learning via Temporal Differences

作者:
Ninad Daithankar↗Alexi Gladstone↗Yann LeCun↗Heng Ji↗

Progress in AI has largely been driven by methods that assume less. As compute and data increase, approaches with weaker inductive biases generally outperform those with stronger assumptions. This is particularly characteristic of the field of Visual Representation Learning, where approaches have gone from being dominated by Supervised Learning, to Weakly Supervised Learning, to the now widespread success of Self-Supervised Learning without human labels. Yet, even modern Self-Supervised Learning approaches still depend on strong inductive biases such as augmentations, masking, or cropping. If this trend holds, even these remaining biases should become bottlenecks at scale – and our experiments confirm this: the optimal strength of inductive biases decreases as data grows. This motivates the search for approaches that rely on fewer assumptions. To this end, we introduce Temporal Difference in Vision (TDV), a new paradigm for self-supervised learning from video that avoids existing inductive biases, relying instead on a causal assumption that the past causes the future. TDV functions by jointly training an image encoder and a motion encoder so that the current frame's representation plus the encoded motion equals the next frame's representation. Despite not leveraging any strong inductive biases, TDV matches state-of-the-art recipes on dense spatial tasks, laying the foundation for representation learning without strong assumptions.

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08.
arXiv (math.PR) 2026-06-12

Diffusion approximations for interacting stochastic systems with reflection and control

作者:
Thoa Thieu↗Roderick Melnik↗

arXiv:2601.05895v2 Announce Type: replace Abstract: We study diffusion approximations for a class of interacting stochastic systems with reflection and control. Motivated by interacting stochastic dynamics subject to feedback mechanisms and boundary constraints, we consider diffusion-scaled stochastic processes incorporating stochastic fluctuations, state-dependent interactions, and reflection. Under suitable assumptions, we establish convergence in distribution of the scaled processes to systems of interacting reflected stochastic differential equations of Ornstein-Uhlenbeck type. The limiting dynamics capture key features of constrained multi-agent systems, including mean-reverting behavior, interaction effects, and confinement within bounded domains through Skorokhod reflection. The analysis combines diffusion-scaling arguments, stability estimates, and continuity properties of the Skorokhod map to connect discrete stochastic systems with their reflected diffusion limits. To illustrate the framework, we present numerical examples motivated by crowd dynamics and neural population dynamics. The simulations demonstrate qualitative agreement between the finite stochastic systems and the corresponding reflected diffusion models and illustrate how diffusion approximations can provide tractable descriptions of interacting stochastic systems with constraints.

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09.
arXiv (CS.CL) 2026-06-19

Target-Side Paraphrase Augmentation for Sign Language Translation with Large Language Models

作者:
Pedro Dal Bianco↗Jean Paul Nunes Reinhold↗Oscar Stanchi↗Facundo Quiroga↗Franco Ronchetti↗Ulisses Brisolara Corr\^ea↗

Sign language translation (SLT) remains constrained by the limited availability of paired sign-video/text corpora and by the heavy-tailed vocabularies typical of real-world datasets. We study a target-side augmentation strategy in which a large language model (LLM) generates controlled paraphrase variants of the reference spoken-language sentence while the sign input remains unchanged. Concretely, we use GPT-4o to produce semantically faithful variants of the training targets and train a Signformer-style pose-based Transformer under a two-stage schedule: pre-training on the augmented corpus followed by fine-tuning on the original references. We evaluate this strategy on three datasets that span complementary challenges: PHOENIX14T (German Sign Language), a real-world corpus with moderate lexical diversity; the Greek Sign Language Dataset with highly controlled, repetitive recordings; and LSA-T (Argentinian Sign Language), a naturalistic corpus with a large vocabulary and severe long-tail sparsity. This range allows us to characterize precisely when and why target-side augmentation is beneficial. On PHOENIX14T, augmentation improves BLEU-4 from 9.56 to 10.33, demonstrating that paraphrastic exposure helps the decoder generalize beyond memorized reference phrasing. The near-saturated GSL baseline and the extremely sparse LSA-T setting reveal the limits of the approach: in both cases, single-reference lexical overlap metrics are insufficient to capture the full picture, motivating a complementary semantic evaluation. To our knowledge, this is the first study to examine LLM-generated target-side paraphrases as an augmentation mechanism for SLT, and the first to apply an LLM-as-a-Judge evaluation protocol to SLT. This complementary evaluation reveals gains in semantic fidelity that lexical overlap metrics understate.

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10.
arXiv (CS.AI) 2026-06-17

Beyond the Sampled Token: Preserving Candidate Support in RLVR

作者:
Ruotian Peng↗Yi Ren↗Zhouliang Yu↗Weiyang Liu↗Yandong Wen↗

arXiv:2510.14807v3 Announce Type: replace Abstract: We revisit exploration collapse in reinforcement learning with verifiable rewards (RLVR), from the perspective of the candidate distribution for next-token prediction. We formally show that as probability concentrates on the top-$1$ candidate, the expected number of distinct responses collapses to one regardless of the sampling budget $K$. This theoretical implication is further verified by our empirical tracking of top-$N$ candidate probabilities during training, where the top-$1$ candidate progressively dominates while plausible alternatives are suppressed. These findings suggest a key desideratum for effective exploration: preserving non-negligible probability mass on the top-$N$ candidates. To this end, we propose Candidate-aware Support Preservation (CaSP), with two complementary designs. Specifically, CaSP redistributes positive gradients among top-$N$ candidates for correct responses, and applies a stronger penalty to the top-$1$ candidate for incorrect responses. Unlike many exploration-oriented methods that improve pass@$K$ at the cost of pass@1, CaSP improves pass@$K$ across the full $K$ spectrum. These gains generalize to 6 math, 2 logical-reasoning, and 2 coding benchmarks, and scales to 32B-parameter models and sampling budgets up to $K=1024$, positioning it as a principled, candidate-level approach for RLVR exploration.

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

A Lightweight Fiducial-Based Pipeline for 3D Hyperspectral Mapping of ex-vivo Lumpectomy Specimens

作者:
Anna Bicchi↗Alberto Rota↗Leonardo Passoni↗Nicola Ancellotti↗Andrea Peroni↗Lorenzo Vinco↗Dario Polli↗Elena De Momi↗

Hyperspectral Imaging (HSI) is a promising modality for intraoperative assessment of resection margins in Breast-Conserving Surgery (BCS), but its clinical translation requires aligning the inherently 2D spectral information onto the 3D shape of the excised tissue so that suspicious regions can be precisely localized for targeted follow-up. We present a fully automated, calibration-free pipeline that produces a 3D hyperspectral point cloud of an ex-vivo lumpectomy specimen from a set of consumer-camera RGB images and a single top-down HSI acquisition. The 3D geometry is reconstructed with a deep-learning Structure-from-Motion backbone, stabilized in a metric reference frame by a custom bundle adjustment that enforces consistency on the corners of four ArUco markers placed around the specimen. The HSI cube is then registered to the reconstruction without recovering the HSI camera pose: the markers, visible in both modalities, define 16 corner correspondences that drive a planar homography, and 3D coordinates are recovered by lookup on an orthographically rendered depth map. Evaluated on two ex-vivo lumpectomy specimens, the pipeline achieves a median 3D registration error below 1~mm and a 2D reprojection error below 0.02 mm, with a total per-specimen processing time under 4 minutes on accelerated hardware. These results support the feasibility of integrating HSI-guided spatial localization into intraoperative margin assessment workflows for breast-conserving surgery.

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12.
arXiv (CS.LG) 2026-06-19

When Calibration Fails the Vulnerable Hospital: Federated Conformal Risk Control via Risk-Curve Shrinkage

作者:
Nafis Fuad Shahid↗

arXiv:2606.20115v1 Announce Type: new Abstract: Conformal risk control (CRC) provides distribution-free guarantees on segmentation quality by calibrating a prediction-set threshold on held-out data. In federated deployments, the standard approach pools calibration scores across sites into a single threshold. We provide the first quantification, on real multi-institutional brain tumor data (FeTS-2022, 1,251 subjects, 20 institutions), showing that this naive pooled CRC protects the average hospital but violates coverage at 40% of individual institutions, with the worst site exceeding the target false-negative rate by 7.8 percentage points. The naive alternative, per-site local CRC, largely restores coverage but inflates prediction sets by 83x, rendering them clinically useless. We propose a shrinkage-based federated CRC protocol: each site transmits only its empirical risk curve (G scalars) to a server, which computes a shrinkage-regularized threshold per site. A single hyperparameter n0 smoothly trades worst-case coverage for prediction-set efficiency; leave-one-site-out sensitivity analysis identifies n0=19, achieving 2.7/20 violations at 2.0x stretch. We further show that direct Lagrangian optimization of coverage budgets fails, concentrating risk on vulnerable hospitals, and that the finite-sample correction term is essential: removing it triples violations. The marginal CRC guarantee is preserved by construction under the stated site-mixture assumption; per-site coverage is validated across four targets with three seeds. No patient-level images, masks, or per-volume scores leave any site.

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14.
arXiv (CS.CV) 2026-06-16

Discriminative Span as a Predictor of Synthetic Data Utility via Classifier Reconstruction

作者:
Radhika Amar Desai↗Modigari Narendra↗

In many real-world computer vision applications, including medical imaging and industrial inspection, binary classification tasks are characterized by a severe scarcity of positive samples. A widely adopted solution is to generate synthetic positive data using image-to-image transformations applied to negative samples. However, a fundamental challenge remains: how can we reliably assess whether such synthetic data will improve downstream model performance? In this work, we propose a geometry-driven metric that predicts the utility of synthetic data without requiring model training. Our approach operates in the embedding space of a pre-trained foundation model and represents the dataset through difference vectors between samples. We evaluate whether the weight vector of a linear classifier can be expressed within the subspace spanned by these variations by measuring the relative projection error. Intuitively, if the variations induced by synthetic data capture task-relevant directions, their span can approximate the classifier, resulting in low projection error. Conversely, poor synthetic data fails to span these directions, leading to higher error. Across multiple datasets and architectures, we show that this metric exhibits strong correlation with downstream classification performance of CNNs trained on mixtures of real negative and synthetic positive data. These findings suggest that the proposed metric serves as a practical and informative tool for evaluating synthetic data quality in data-scarce settings.

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

RaLMPH: Reliability-aware Learning for Multi-Pathologist Harmonization in Whole-Slide Image Classification

作者:
Sungrae Hong↗Jiwon Jeong↗Soeun Cheon↗Donghee Han↗Sol Lee↗Jisu Shin↗Kyungeun Kim↗Mun Yong Yi↗

Multiple Instance Learning (MIL) is a standard paradigm for Whole-Slide Image (WSI) analysis and has achieved strong results in computational pathology. However, most MIL pipelines assume a single "gold" label per slide, which conflicts with clinical practice where substantial inter-pathologist variability is common. Existing multi-annotator learning and label-refinement methods typically estimate global annotator reliability or rely on single-instance assumptions, making them poorly suited to MIL and to localized diagnostic contexts where experts disagree. We propose RaLMPH (Reliability-aware Learning for Multi-Pathologist Harmonization), a MIL-based label reconciliation framework for WSIs annotated by multiple pathologists. RaLMPH introduces a reliability field that jointly models (i) local neighborhood structure in WSI feature space and (ii) expert uncertainty (entropy), enabling per-sample identification of trustworthy reference neighborhoods. Leveraging this field, RaLMPH performs sample-wise local annotator ranking to select reliable opinions per slide and applies an adaptive gating mechanism to fuse labels conditioned on local reliability. Experiments on a clinical WSI dataset with labels from six pathologists, as well as controlled simulated benchmarks, show that RaLMPH consistently outperforms existing approaches. Further analyses clarify how our reliability-aware mechanism improves label reconciliation and downstream MIL performance.

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

Entropy-Gated Latent Recursion

作者:
Soham Bhattacharjee↗Dushyant Singh Chauhan↗Salem Lahlou↗Martin Takac↗Nils Lukas↗

arXiv:2606.16620v1 Announce Type: cross Abstract: Inference-time scaling has become the dominant lever for improving language-model reasoning, but existing methods derive rollout diversity from a single source: stochastic token-level sampling. We argue that this single-axis sampling space is fundamentally limiting, and identify a second, fully deterministic and complementary axis: the layer span $L$ at which a frozen model's top decoder layers are recursively re-applied at high-uncertainty tokens. Different choices of $L$ produce distinct rollouts that solve different subsets of problems, with no stochasticity. We instantiate this axis through Entropy-Gated Latent Recursion (EGLR), a training-free decoding procedure that re-applies the top-$L$ layers for at most $K_{\max}$ iterations until the next-token distribution converges. Combined with $T$ temperature samples, EGLR turns a single-axis stochastic rollout pool into an $L\times T$ Cartesian sampling space at almost the same per-rollout cost. We characterize this space across $8$ instruction-tuned models and $6$ math reasoning benchmarks, and show that the $L$-axis is genuinely complementary to temperature: on MATH-500 with Qwen2.5-3B-Instruct, the joint $L\times T$ oracle reaches $91.6\%$, $+8.2$ percentage points beyond the temperature-only oracle ($83.4\%$) and $+10.4$ points beyond the layer-only oracle ($81.2\%$), confirming that the two axes capture genuinely complementary problems. The expanded rollout pool provides richer per-prompt candidates for any downstream procedure that consumes rollouts, including self-consistency, best-of-$N$ with verifiers, and group-relative RL training (GRPO), opening a new direction for inference-time scaling that does not rely on stochastic noise.

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17.
arXiv (quant-ph) 2026-06-12

Quantum-Driven Neuromorphic Computing for Million-Qubit-Scale Workloads

作者:
Adams Ivanov↗Samer Rahmeh↗Erick Giovani Sperandio Nascimento↗Daniela Herrmann↗

arXiv:2606.12968v1 Announce Type: new Abstract: We introduce Apollo, a 10000 node p-qubit neuromorphic processor fabricated in 16 nm mixed signal CMOS and operating fully at room temperature with a typical analog core power envelope of about 0.5 W. Its fundamental element, the p-qubit, is a bistable stochastic unit whose continuous time state fluctuations are driven by integrated quantum entropy units that inject true quantum derived randomness. This enables ultrafast stochastic transitions at low energy while preserving a classical state representation. Apollo combines these p-qubits with a high degree Hyperion 256 interconnect topology, allowing efficient embedding of dense Ising and QUBO problems with substantially reduced minor embedding overhead compared with sparse annealing platforms. We show that, through the Suzuki Trotter correspondence, the equilibrium statistics and annealing dynamics of the p-qubit network reproduce key properties of transverse field quantum annealing without cryogenic cooling, long lived coherence, or microwave control. Beyond device level validation, Apollo is evaluated on a three dimensional spin glass benchmark previously used to study quantum advantage in superconducting annealers. Across 300 disorder realizations, Apollo reaches substantially lower ground state energies than reported cryogenic quantum annealing hardware, while remaining distinct from classical simulated annealing and simulated quantum annealing. A 350 nm release candidate device experimentally validates the core p-qubit dynamics, thermodynamic sampling correctness, and continuous time annealing behavior. These results establish Apollo as a room temperature, industrially scalable platform for quantum driven energy based optimization, probabilistic inference, generative modeling, and hybrid classical quantum workflows.

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18.
arXiv (CS.LG) 2026-06-19

Calibrating Generative Models to Feature Distributions with MMD Finetuning

作者:
Nathaniel L. Diamant↗Brian L. Trippe↗

arXiv:2606.19496v1 Announce Type: new Abstract: Generative models can produce individually plausible samples while deviating substantially from a target set in the distribution of key features. For example, a model pretrained on broad drug-like chemical space may generate molecules whose molecular features differ from those of a therapeutic class of interest, such as known antibiotics. Correcting such distributional miscalibration is challenging: direct finetuning on the target set can overfit and does not control which features are matched. To fill this gap, we introduce kernel Calibrating Generative Models (kCGM). kCGM minimizes a maximum mean discrepancy (MMD) between generated and target feature distributions using an unbiased score-function estimator, with KL regularization to remain close to the pretrained model. On a target set of 174 antibiotics, direct finetuning sacrifices chemical validity for feature-distribution matching, whereas kCGM improves target feature matching while increasing validity. We further demonstrate kCGM in protein and DNA generation tasks, showing it can adapt autoregressive, continuous-space diffusion, and discrete diffusion models using only feature-level supervision. Code is available at https://github.com/smithhenryd/cgm.

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19.
arXiv (CS.CV) 2026-06-16

Divide-and-Denoise: A Game-Theoretic Method for Fairly Composing Diffusion Models

作者:
Abhi Gupta↗Polina Barabanshchikova↗Vikas Garg↗Samuel Kaski↗Tommi Jaakkola↗

The abundance of pre-trained diffusion models provides an opportunity for composition. Combining several models, however, runs the risk of one model dominating or models disagreeing with each other. Here, we propose Divide-and-Denoise, a method for coordinating multiple pre-trained diffusion models during sampling. Much like managing a specialized workforce, our method creates a fair but efficient division of labor across models. Central to our method is the notion of an allocation which defines the responsibility of each model to every region of the noisy sample. At every timestep, we then denoise by (i) updating the allocation by solving a fair division game, where we divide the sample into regions that maximize total utility under fairness constraints, and (ii) aligning the models with this allocation, where we guide each model to denoise within its assigned region. This leads to a new composite denoising process that evolves in tandem with a division process. We evaluate Divide-and-Denoise on conditional image generation. Across several quality metrics, including the GenEval benchmark, our method outperforms baselines and resolves common failures including missing objects and mismatched attributes. Experiments show that Divide-and-Denoise utilizes each model's expertise without neglecting any other model.

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20.
arXiv (CS.AI) 2026-06-19

Optimal Scheduling in a Question-Answering Forum of Knowledge Workers

作者:
Rohit Negi↗Mustafa Yilmaz↗

arXiv:2606.19759v1 Announce Type: new Abstract: As individuals turn to the Internet to find answers to questions they may have, several Question Answering (QA) forums have evolved, where users knowledgeable in certain topics can contribute their expertise to answering these requests for information. While these are currently volunteer based, we consider a future version employing knowledge workers who are experts in certain topics. In such a system, the request-answer processes forming the queuing system may utilize schedulers that assign requests in different topics to the experts in the forum, who may be able to answer them according to their expertise levels in different topics. With this model, we calculate the capacity of the system for handling the requests while keeping the system stable, and design schedulers that achieve capacity. We also investigate how collaboration between experts in answering requests can potentially increase capacity.

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21.
arXiv (CS.CV) 2026-06-16

Improved Baselines with Representation Autoencoders

作者:
Jaskirat Singh↗Boyang Zheng↗Zongze Wu↗Richard Zhang↗Eli Shechtman↗Saining Xie↗

Representation Autoencoders (RAE) replace traditional VAE with pretrained vision encoders. In this paper, we systematically investigate several design choices and find three insights which simplify and improve RAE. First, we study a generalized formulation where the representation is defined as sum of the last k encoder layers rather than solely the final layer. This simple change greatly improves reconstruction without encoder finetuning or specialized data (e.g., text, faces). Second, we study the prevalent assumption that RAE (using pretrained representation as encoder) replaces representation alignment (REPA), which distills the same representation to intermediate layers instead. Through large-scale empirical analysis, we uncover a surprising finding: RAE and REPA exhibit complementary working mechanisms, allowing the same representation to be used as both encoder and target for intermediate diffusion layers. Finally, the original RAE struggles with classifier-free guidance (CFG) and requires training a second, weaker diffusion model for AutoGuidance (AG). We show that REPA itself can be viewed as x-prediction in RAE latent space. By simply re-parameterizing the output of the DiT model, it can provide guidance for "free". Overall, RAEv2 leads to more than 10x faster convergence over the original RAE, achieving a state-of-the-art gFID of 1.06 in just 80 epochs on ImageNet-256. On FDr6, RAEv2 achieves a state-of-the-art 2.17 at just 80 epochs compared to the previous best 3.26 (800 epochs) without any post-training. This motivates EPFID@k (epochs to reach unguided gFID < k) as a measure of training efficiency. RAEv2 attains an EPFID@2 of 35 epochs, versus 177 for the original RAE. We also validate our approach across diverse settings for text-to-image generation and navigation world models, showing consistent improvements. The code is available at https://raev2.github.io.

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22.
arXiv (CS.CL) 2026-06-16

StagePilot: Stage-Level Planning for Long-Horizon Dialogue Simulation in Cybergrooming

作者:
Heajun An↗Qi Zhang↗Minqian Liu↗Xinyi Zhang↗Sang Won Lee↗Lifu Huang↗Pamela J. Wisniewski↗Jin-Hee Cho↗

Cybergrooming is an evolving threat to youth, requiring proactive educational interventions. We address this by modeling dialogue progression as a structured planning problem over stage-wise interactions. We propose StagePilot, a dialogue framework that separates stage-level planning from response generation, in which the model selects the next stage under constrained transitions and generates responses conditioned on it, enabling coherent and realistic progression. Reinforcement learning is used to learn stage-level policies from offline data, optimizing for both emotional alignment and goal-consistent progression. Our empirical experiments show that StagePilot generates more structured, coherent dialogue trajectories and reduces conversational stagnation compared to baselines; notably, the IQL+AWAC variant reaches the final stage more often while maintaining over 70% positive or neutral responses, yielding a 43% relative improvement.

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23.
arXiv (CS.LG) 2026-06-17

Continual Self-Improvement with Lightweight Experiential Latent Memories

作者:
Vaggelis Dorovatas↗Nancy Kalaj↗Rahaf Aljundi↗

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.

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24.
arXiv (CS.AI) 2026-06-12

WOMBET: World Model-Based Experience Transfer for Robust and Sample-efficient Reinforcement Learning

作者:
Mintae Kim↗Koushil Sreenath↗

arXiv:2604.08958v3 Announce Type: replace-cross Abstract: Reinforcement learning (RL) in robotics is often limited by the cost and risk of data collection, motivating experience transfer from a source task to a target task. Offline-to-online RL leverages prior data but typically assumes a given fixed dataset and does not address how to generate reliable data for transfer. We propose World Model-Based Experience Transfer (WOMBET), a framework that jointly generates and utilizes prior data. WOMBET learns a world model in the source task and generates offline data via uncertainty-penalized planning, followed by filtering trajectories with high return and low epistemic uncertainty. It then performs online fine-tuning in the target task using adaptive sampling between offline and online data, enabling a stable transition from prior-driven initialization to task-specific adaptation. We show that the uncertainty-penalized objective provides a lower bound on the true return and derive a finite-sample error decomposition capturing distribution mismatch and approximation error. Empirically, WOMBET improves sample efficiency and final performance over strong baselines on continuous control benchmarks, demonstrating the benefit of jointly optimizing data generation and transfer.

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

Enhancing Precision Agriculture with a Hybrid Deep Learning Framework for Multi-Class Plant Disease Classification and Interpretability

作者:
Hasibul Islam Sufi↗Ridam Roy↗Shayla Alam Setu↗Mahimul Islam Nadim↗

This study proposes an overall deep learning architecture for multi-class classification of plant diseases from high-resolution leaf imagery, with a particular interest in investigating the behavior of ResNet-50 and a hybrid ResNet + Vision Transformer (ViT) design. A specially gathered image database with 15,200 training images and 3,800 validation images spanning 38 classes across multiple crops, including tomato, apple, grape etc. were subjected to preprocessing steps such as resizing, normalization, and data augmentation to enhance model robustness. Multiple architectures, including ResNet-50, MobileNetV2, and EfficientNet-B0, were trained and compared with the hybrid ResNet + ViT model. All models were fine-tuned using the AdamW optimizer and cross-entropy loss, with early stopping applied to prevent overfitting and ensure generalization. Furthermore, interpretability techniques such as Grad-CAM and saliency maps were implemented to indicate disease-relevant regions, while segmentation-based analysis was performed to identify the affected parts of a leaf. For every one of the considered architectures, ResNet-50 led to the highest accuracy of 98.74%, whereas the hybrid ResNet + ViT model achieved a competitive accuracy of 98.58%, showing that the hybrid architectures were effective in capturing both local and overall information. The experimental results showcase the promise of transformer-based models to achieve highly accurate, interpretable, and computationally efficient computer-based multi-class multi-disease classification systems, providing helpful assistance for cultivation management practices as well as for precision farming.

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