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01.
arXiv (CS.LG) 2026-06-16

Pre-Training for Simulation-Based Science: A Study on Jet Foundation Model Training Objectives

arXiv:2606.14870v1 Announce Type: cross Abstract: Foundation models (FMs) trained on large datasets and fine-tuned on downstream tasks have emerged as a powerful paradigm in AI for science. Industrial FMs are typically trained using self-supervision with masking due to the lack of labels. In many scientific domains, accurate simulations are plentiful and facilitate large, labeled datasets. This opens up new possibilities for pre-training. We present a systematic comparison of pre-training methods using the OmniLearned High Energy Physics FM framework. We test supervised classification, flow-matching generation, and self-supervised masked particle modeling. All models are pre-trained on the JetClass dataset and fine-tuned on two representative downstream tasks, top jet classification and JetNet conditional generation. Among other observations, for classification tasks, we find that pure classifier pre-training is optimal when downstream labels and model capacity are plentiful, but combining it with self-supervised masked particle modeling (MPM) is uniquely powerful in the low-finetuning label regime. Flow matching-based generative pre-training seems to provide little benefit for downstream classification, and interestingly, for downstream generation, we find that flow matching must be in the pre-training objective to see a significant finetuning advantage, hinting at the orthogonality of classification and generation tasks. That is, for a model to transfer to both generative and classification downstream tasks, it must be pre-trained on both. This study provides a template for controlled scaling analysis of pre-training objectives for foundation models in simulation-based sciences.

02.
bioRxiv (Bioinfo) 2026-06-11

ANCHOR: haplotype-aware allelic and isoform inference from single-cell long-read RNA sequencing with de novo variant calling

Long-read RNA sequencing enables haplotype- and isoform-resolved allelic analysis of transcriptomes, yet extending this capability to single cells and distinct cell types remains computationally challenging due to sparse coverage, sequencing errors, incomplete variant information, and reference-biased transcript assignment. Here we present ANCHOR, a haplotype-aware framework for single-cell long-read RNA sequencing that performs de novo expressed-variant discovery, molecule-level haplotype assignment and isoform-resolved allelic quantification. ANCHOR combines a signed-graph variant caller, pair hidden Markov modelling and beta-binomial UMI aggregation to infer parental allele counts for genes and splice-resolved isoforms, without requiring a pre-existing phased genotype or deep learning. In human single-cell long-read RNA benchmarks, ANCHOR improved variant-calling performance over tested long-read RNA callers at single-cell and low-to-moderate coverage, and its beta-binomial model reduced depth-driven false positives in allele-specific expression testing. Applied to newly generated single-cell long-read RNA-seq data from reciprocal mouse crosses during gastrulation, ANCHOR resolved cell-type- and isoform-specific parent-of-origin imprinting and identified an antagonistic maternally biased Sgce isoform. ANCHOR provides a general framework for allele- and isoform-resolved analysis of diploid single-cell long-read transcriptomes.

03.
bioRxiv (Bioinfo) 2026-06-15

AliceDB database and pipeline for identification of natural protein variants based on mass spectrometry measurement data

The natural variation that distinguishes living organisms within a single species is currently being studied intensively, primarily at the genetic level. Unfortunately, studies of natural variants at the level of protein gene products are not very common, mainly due to the lack of appropriate databases and bioinformatics tools. The main research technique used to study proteomes/peptidomes is mass spectrometry (MS). A classic method for interpreting raw mass spectrometry data in proteomic/peptidomic studies involves the use of databases containing representative (canonical) sequences that define the proteome of the organism under study. In this paper, we present the AliceDB database, which contains information on over 7 million natural variants of protein sequences described in the scientific literature for Homo sapiens. The data contained in the AliceDB database can be utilized using widely available and commonly used software for interpreting proteomic data. Test results regarding the use of the AliceDB database for the interpretation of proteomic data indicate that accounting for the presence of natural variants increases both the number and quality of identified proteins. Furthermore, it is easy to identify protein sequence variants that may, for example, be of significance in medicine.

04.
arXiv (math.PR) 2026-06-16

Small moments of the sensitivity of polynomial threshold functions

arXiv:2606.16004v1 Announce Type: new Abstract: In the first version of Chang, Slote, Volberg, and Zhang's paper [BSA_of_PTF], the authors modify a nice recursive approach due to Kane in [Correct_exponent_for_AS] where he bounded the average sensitivity of polynomial threshold functions. In [BSA_of_PTF] Kane's argument was adopted to estimate the boolean surface area of polynomial threshold function. The bridge is a combinatorial averaging lemma considering all balanced partitions. The lemma serves as a substitute for an additive property of average sensitivity. With the lemma, one can apply a Kane-type algorithm to derive a recurrence. Solving the recurrence then gives an upper bound of $e^{C_d \sqrt{\log n}}$ for the boolean surface area. In the second version of the same paper, the authors derive a polylog upper bound for BSA of PTFs. The difference is that they use a tail estimate for the sensitivity function. With the help of a polynomial restriction lemma in [poly_restriction] they sharpen the upper bound. It is noteworthy that when applying the polynomial restriction, each coordinate is put into each part independently with equal probability. As a result, a partition does not necessarily have equal-size blocks. In other words, it may not be balanced. In this note, we first investigate the effect of different partitioning. Second, we use the recursive method in the first version to derive a polylog upper bound for $\mathbb E[s(x)^{\eta}]$ where $\eta < 1/2$. It is interesting to note the phase transition that happens at $\eta=1/2$ in both versions of the proof (but in a completely different form). Section [PhaseTr-s] treats that.

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

Dual-Channel Grounded World Modeling (DCGWM): Structural Prevention of Objective Interference Collapse via Heterogeneous External Grounding with Inward-Only Gradient Flow

arXiv:2606.18688v1 Announce Type: cross Abstract: Joint Embedding Predictive Architectures (JEPAs) are a leading approach to world model representation learning. We identify a failure mode in JEPA-based world models grounded against two qualitatively distinct external signals: physical dynamics (sparse, high-magnitude, constraint-satisfying gradient corrections) and social-behavioral dynamics (diffuse, distribution-matching corrections). We term this Objective Interference Collapse (OIC): we argue that joint learning in a shared latent space causes the dominant channel to systematically collapse the subordinate channel's representational subspace, in a manner not resolvable by loss weighting alone. We propose Dual-Channel Grounded World Modeling (DCGWM), designed to structurally prevent OIC through a partitioned latent space (physical subspace Z_p, behavioral subspace Z_b) with inward-only gradient flow. A Physical Grounding Channel updates only Z_p via VICReg-style alignment to physical measurements; a Social-Behavioral Grounding Channel updates only Z_b via alignment to trajectories from an emergent multi-agent simulation. An Inter-Channel Interface Module couples the subspaces at the task level without cross-subspace gradients. An Asymmetric Grounding Adherence Loss penalizes rollout drift with a hard hinge for physical violations and a soft KL for behavioral divergence. A Generative Rendering Layer is architecturally isolated from the latent world model. We present three theoretical results: the partition removes the gradient-interference pathway implicated in OIC; each grounded subspace inherits anti-collapse guarantees from its alignment objective; and generative isolation is necessary under a stated assumption on the generative objective's geometry. This manuscript establishes the problem formulation and architecture; experimental validation is ongoing and will be reported in a future revision.

07.
arXiv (CS.LG) 2026-06-12

Net-Ev$^2$: A Generative Simulator for Network Event Evolution

arXiv:2606.12494v1 Announce Type: new Abstract: Reducing real-world trial and error has long been a central goal of decision making, and generative simulators advance this goal by modeling the evolution of future states. An even more challenging yet meaningful task is simulating how disturbance events (e.g., accidents) propagate their impacts across real-world networks. The existing approaches fall short of modeling both structured attributes and unstructured semantics of events, and capturing topological structures in simulating network event evolution. Therefore, we are motivated to propose Net-Ev$^2$ ($\underline{Net}$work $\underline{Ev}$ent $\underline{Ev}$olution), a novel generative simulator that jointly leverages event cues while preserving network topology in simulations. Specifically, the framework consists of two stages, namely structure-guided masked pre-training and topology-aware diffusion process, which is achieved by U-Net-like graph downsampling and upsampling during denoising. At inference time, Net-Ev$^2$ can generate simulations using natural-language event input only, with greater flexibility for practical usage. Furthermore, we introduce Net-Ev$^2$-6.5M, a multimodal benchmark of aligned event and network traffic data across four large-scale road networks, as well as a new topology-aware metric, namely JL-MMD, to evaluate topological fidelity in generated network dynamics. Extensive experiments demonstrate the state-of-the-art performance and strong generalization ability of Net-Ev$^2$. Code is made available at https://github.com/Guangyu4/Net-Ev-2.

08.
arXiv (CS.AI) 2026-06-11

Compiler-First State Space Duality and Portable $O(1)$ Autoregressive Caching for Inference

arXiv:2603.09555v2 Announce Type: replace-cross Abstract: High-throughput Mamba-2 inference is usually tied to fused CUDA and Triton kernels, limiting portability across accelerator backends. We show that the state space duality (SSD) recurrence has a compiler-friendly structure: diagonal per-head dynamics, fixed-size chunking, einsum-dominated compute, and static control flow. Expressing this structure in standard JAX primitives gives a single-source inference path with no custom kernels, a registered JAX PyTree cache, and a compiled on-device autoregressive loop. On a single Google Cloud TPU v6e, batch-1 prefill reaches approximately 140 TFLOPS, or 15% model FLOP utilisation (MFU), the roofline ceiling for this regime, and cached decode reaches up to 64% hardware bandwidth utilisation (HBU). At a 4096-token context, cached decode is 27x–36x faster than full-prefix recomputation across five Mamba-2 checkpoints from 130M to 2.7B parameters. The same source runs unmodified on NVIDIA L40S, where cached decode remains sequence-length independent across all model scales. WikiText-103 validation perplexity matches the Triton reference mamba_ssm v2.2.2 within +/-0.0005 points, and hidden states agree to float32 rounding tolerance. Code is available at https://github.com/CosmoNaught/mamba2-jax.

09.
arXiv (quant-ph) 2026-06-19

Optimized Quantum States for Sensing in the Presence of Loss and Phase Noise

arXiv:2606.19649v1 Announce Type: new Abstract: Squeezed vacuum lets gravitational-wave detectors and other quantum sensors surpass the standard quantum limit, and is optimal in the loss-limited regime; phase noise breaks this optimality. Numerically optimizing the quantum Fisher information across the loss and phase-noise landscape, we identify non-Gaussian states that outperform any Gaussian state. These fall into three classes: Fock-like, cubic-phase-like, and states with discrete rotational symmetry. Limiting the average number of photons in the input state to $\bar{n}=5$, with $1-\eta = 5\%$ photon loss and 200 mrad phase noise, the non-Gaussian advantage reaches up to 2.2 dB. Furthermore, we observe that the non-Gaussian advantage can persist even when the measurement strategy is homodyne detection.

10.
arXiv (CS.AI) 2026-06-19

FFinRED: An Expert-Guided Benchmark Generation and Evaluation Framework for Financial LLM Red-Teaming

arXiv:2606.19887v1 Announce Type: cross Abstract: Existing safety benchmarks target general adversarial scenarios but miss finance-specific risks. Financial LLMs face regulatory compliance violations, fraud facilitation, and systemic trust erosion that require targeted evaluation. We introduce FinRED, an expert-guided red-teaming framework for financial LLM safety evaluation developed with financial experts. FinRED uses a novel two-level taxonomy mapping global standards (e.g., FATF and EU DORA) to threats ranging from regulatory evasion to complex fraud, integrated with a scalable pipeline that converts real financial documents into context-rich red-teaming Behavioral Prompts (seeds) through an expert-defined schema. Rigorous expert validation confirms seed plausibility and realism for meaningful LLM safety evaluation. We also provide an expert-validated, finance-specific rubric that goes beyond disclaimer checks, aligns more closely with human experts than static one-size-fits-all rubrics, and reduces critical false negatives from 28 to 12. Aligned with internationally adopted risk-management and information-security standards (e.g., ISO/IEC 27001), FinRED is deployed in South Korea's Financial Security Institute (FSI) regulatory sandbox for generative AI security evaluation in real financial services. To mitigate dual-use risks, the dataset, generation pipeline, prompt template, and evaluation framework are gated for qualified researchers at https://github.com/selectstar-ai/FinRED-paper and https://huggingface.co/datasets/datumo/FinRED.

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

Pantheon360: Taming Digital Twin Generation via 3D-Aware 360{\deg} Video Diffusion

Generating complete digital twins from videos requires precise camera control, global scene coverage, and strict spatial-temporal consistency constraints that remain challenging for perspective video generators due to their limited field of view (FoV). Their narrow FoV forces long or multi-view trajectories, amplifying cross-view inconsistency and temporal drift. We argue that 360{\deg} video generation offers a natural solution: panoramic coverage simplifies trajectory design and provides a strong global context for maintaining coherence. We introduce Pantheon360: Taming Digital Twin Generation via 3D-Aware 360{\deg} Video Diffusion, a controllable 360{\deg} video generation framework that synthesizes high-fidelity videos from sparse 360{\deg} inputs. The key idea is an explicit 3D Cache, reconstructed from the input, which serves as a geometric scaffold for any user-defined camera path. This allows the diffusion model to focus on photorealistic texture refinement while the 3D Cache enforces global geometric consistency. Experiments show that Pantheon360 achieves superior visual quality and unmatched geometric coherence, enabling reliable and flexible 360{\deg} scene generation for downstream simulation and digital-twin applications.

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

Beyond Rebalancing: Benchmarking Binary Classifiers Under Class Imbalance Without Rebalancing Techniques

arXiv:2509.07605v2 Announce Type: replace-cross Abstract: Class imbalance poses a significant challenge to supervised classification, particularly in critical domains like medical diagnostics and anomaly detection where minority class instances are rare. While numerous studies have explored rebalancing techniques to address this issue, less attention has been given to evaluating the performance of binary classifiers under imbalance when no such techniques are applied. Therefore, the goal of this study is to assess the performance of binary classifiers "as-is", without performing any explicit rebalancing. Specifically, we systematically evaluate the robustness of a diverse set of binary classifiers across both real-world and synthetic datasets, under progressively reduced minority class sizes, using one-shot and few-shot scenarios as baselines. Our approach also explores varying data complexities through synthetic decision boundary generation to simulate real-world conditions. In addition to standard classifiers, we include experiments using undersampling, oversampling strategies, and one-class classification (OCC) methods to examine their behavior under severe imbalance. The results confirm that classification becomes more difficult as data complexity increases and the minority class size decreases. While traditional classifiers deteriorate under extreme imbalance, advanced models like TabPFN and boosting-based ensembles retain relatively higher performance and better generalization compared to traditional classifiers. Visual interpretability and evaluation metrics further validate these findings. Our work offers valuable guidance on model selection for imbalanced learning, providing insights into classifier robustness without dependence on explicit rebalancing techniques.

13.
arXiv (CS.CV) 2026-06-11

VL-DINO: Leveraging CLIP Vision-Language Knowledge for Open-Vocabulary Object Detectio

Vision-language models like CLIP can provide rich semantic priors for open-vocabulary object detection. However, jointly integrating both textual and visual knowledge into detection architectures remains challenging. In this paper, we propose VL-DINO, an open-vocabulary detector that enhances DINO through more effective exploitation of CLIP's vision-language knowledge. Specifically, a Query-guided Positive Sample Construction (QPSC) module is first developed to construct additional high-quality positive samples, enabling the vanilla DINO framework to better accommodate mixed training across heterogeneous data sources while providing more vision-language alignment signals, thereby incorporating richer textual knowledge during training. A Visual Semantic Encoder (VSE) module is then introduced to distill CLIP visual knowledge into backbone-extracted features, producing fused features for subsequent encoder refinement. Based on the fused features, an Object-Region Semantic Alignment (ORSA) module extracts object-centric region features and aligns them with the corresponding textual embeddings, further incorporating textual cues. In the zero-shot setting, VL-DINO-T and VL-DINO-L achieve 36.3 and 38.1 AP on the LVIS benchmark, respectively, consistently outperforming prior advanced approaches. Extensive experiments demonstrate the effectiveness and competitive performance of the proposed design.

14.
arXiv (CS.LG) 2026-06-12

Scalable anomaly detection via a univariate Christoffel function

arXiv:2606.12483v1 Announce Type: new Abstract: Anomaly detection plays a critical role in identifying unusual patterns across domains such as fraud detection, network intrusion, and system fault diagnosis. Recently, Christoffel function-based methods, rooted in polynomial optimization, have emerged as promising alternatives to deep learning due to their strong mathematical foundations and computational frugality. However, their practical applicability is hindered by the need to invert a matrix whose size grows exponentially with the data dimension, rendering the method intractable even for moderate-dimensional datasets. This paper addresses the dimensionality limitations of Christoffel function-based anomaly detection while preserving its key theoretical properties, i.e., the on-off support dichotomy behavior and the accurate support shape capture. We introduce UCF, a univariate Christoffel function which is based on the squared distance between the query point and the support points. Extensive experiments on the ADBench benchmark demonstrate that UCF consistently outperforms 14 state-of-the-art baselines in terms of Average Precision. By resolving the scalability bottleneck of the Christoffel Function, this work expands the toolkit of anomaly detection methods with a robust, theoretically grounded, and universally applicable approach.

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

Decomposing one-class support vector machine into an ensemble of one-data support vector machines

arXiv:2606.16002v1 Announce Type: new Abstract: One-class classification (OCC) is a classification problem in which the training data contains only one class. The one-class support vector machine (OCSVM) is one of the most competitive OCC algorithms. However, OCSVM has scalability issues with large-scale datasets. This paper proposes the acceleration strategy of OCSVM. The idea is to decompose the dataset into samples and train OCSVM models for single data points. Subsequently, ensemble learning is applied to combine all models to compute the OCSVM model for the dataset. In addition, further acceleration is achieved through a data-reduction strategy with an OCSVM model trained on the average of the training samples. The experiment compared the proposal and traditional OCSVM using the Python package. The proposed strategy is faster than traditional OCSVM, while achieving similar classification results. Moreover, the proposed strategy can create one-to-one correspondence between samples and models. Source code is uploaded at https://github.com/ToshiHayashi/ODSVM

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

Spectral recovery of a planted triangle-dense subgraph

arXiv:2606.17604v1 Announce Type: cross Abstract: Given a simple graph on $n$ vertices and a parameter $k$, the triangle-densest-$k$-subgraph problem is known to be computationally hard in the worst case. To circumvent the computational hardness, we study an average-case model where a triangle-dense subgraph on $k$ vertices is planted in an Erdős-Rényi random graph on $n$ vertices. For the recovery of the planted subgraph, we propose a simple spectral algorithm and a semidefinite program, both of which use a graph matrix whose entries are local signed triangle counts. Theoretical guarantees for these algorithms are established through spectral analysis of the graph matrix. Finally, we provide evidence showing a statistical-to-computational gap analogous to that for the planted clique problem. The computational threshold in terms of the subgraph size $k$ is at least $\sqrt{n}$ in the framework of low-degree polynomial algorithms, while the information-theoretic threshold is at most logarithmic in $n$.

17.
arXiv (CS.AI) 2026-06-12

ReCal: Reward Calibration for RL-based LLM Routing

arXiv:2606.12479v1 Announce Type: cross Abstract: Large language model (LLM) routing has emerged as an effective paradigm for leveraging the complementary strengths of multiple LLMs through dynamic model and reasoning-strategy selection. Recent reinforcement learning (RL)-based routing methods further improve routing quality by optimizing routing policies from interaction feedback. However, they still struggle to provide informative and comparable learning signals under heterogeneous tasks with varying difficulty. In practice, multiple objectives (e.g., correctness, format behavior) are aggregated into a single scalar reward, leading to ambiguous credit assignment and conflicting optimization signals. Moreover, reward signals exhibit significant variability across instances, where some instances produce higher or more variable rewards, introducing optimization bias that favors trivial samples over informative ones. To address these issues, we propose ReCal, a \underline{Re}ward \underline{Cal}ibration framework for RL-based LLM routing. We first introduce a hierarchical reward decomposition mechanism with component-wise advantage estimation. We further propose a distribution-aware optimization strategy that calibrates optimization variability through variance-aware reweighting and per-dataset normalization. Experiments on seven datasets demonstrate that ReCal consistently improves routing performance, and training stability over baselines. Code is available at https://anonymous.4open.science/r/ReCal.

18.
arXiv (quant-ph) 2026-06-15

Spin-orbit coupling by design in quantum state engineering of atomically defined quantum dots

arXiv:2606.14487v1 Announce Type: cross Abstract: Tuning spin-orbit coupling is essential in controlling both spin and charge in confined semiconductor nanostructures, yet it is rarely a truly controllable parameter. Here, we show control over the spin-orbit Hamiltonian in quantum dots and the resulting quantum states by tailoring the confinement potential with atomic-scale precision. Using scanning tunnelling microscopy and spectroscopy, we pattern individual Cs ions into designer quantum dot structures on the surface of indium antimonide, in which electrons from a two-dimensional electron gas are confined with chosen in-plane electric-field gradients. We then quantify the atomic level structure, both spatially resolving the orbital character of the electronic states and their magnetic-field evolution. We demonstrate that the level structure, including the induced zero-field splitting, can be tailored by the designed geometry of the local electric fields. These effects can be described using a Hamiltonian that allows consistent treatment of the confinement-induced spin-orbit coupling beyond the conventional Bychkov-Rashba description. This Hamiltonian is derived from a multiband k.p model and takes the energy dependence of the relevant physical parameters into account. Such precise control of spin-orbit coupling in semiconductor quantum dots is relevant to quantum and spintronic technologies.

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

Sinkhorn-CPD: Robust point cloud registration via unbalanced entropic optimal transport

Coherent Point Drift (CPD) is widely used for rigid point cloud registration because of its soft correspondences and closed-form parameter updates. However, CPD's target-side marginal constraint forces every observation, including outliers, to receive exactly unit probability mass. This assumption degrades registration accuracy under heavy outliers and partial overlap. Optimal transport (OT) methods can handle missing mass through unbalanced formulations, but require hand-tuned annealing schedules. In this paper, we propose Sinkhorn-CPD, which replaces CPD's target-side marginal constraint with dual Kullback-Leibler penalties, allowing the algorithm to discard outliers on both sides. The resulting formulation is a fully unbalanced entropic optimal transport problem, which can be efficiently solved by generalized Sinkhorn iterations. Moreover, Sinkhorn-CPD preserves the closed-form Procrustes and variance updates of CPD. In our method, the variance sigma^2 plays the role of the entropic regularization parameter, which induces an automatic annealing schedule from diffuse to sharp correspondences without manual temperature tuning. Experiments on synthetic, cross-category, and scan-to-CAD benchmarks show that Sinkhorn-CPD achieves state-of-the-art accuracy, with strong robustness to outliers and partial overlap.

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

BLUEmed: Retrieval-Augmented Multi-Agent Debate for Clinical Error Detection

Terminology substitution errors in clinical notes, where one medical term is replaced by a linguistically valid but clinically different term, pose a persistent challenge for automated error detection in healthcare. We introduce BLUEmed, a multi-agent debate framework augmented with hybrid Retrieval-Augmented Generation (RAG) that combines evidence-grounded reasoning with multi-perspective verification for clinical error detection. BLUEmed decomposes each clinical note into focused sub-queries, retrieves source-partitioned evidence through dense, sparse, and online retrieval, and assigns two domain expert agents distinct knowledge bases to produce independent analyses; when the experts disagree, a structured counter-argumentation round and cross-source adjudication resolve the conflict, followed by a cascading safety layer that filters common false-positive patterns. We evaluate BLUEmed on a clinical terminology substitution detection benchmark under both zero-shot and few-shot prompting with multiple backbone models spanning proprietary and open-source families. Experimental results show that BLUEmed achieves the best accuracy (69.13%), ROC-AUC (74.45%), and PR-AUC (72.44%) under few-shot prompting, outperforming both single-agent RAG and debate-only baselines. Further analyses across six backbone models and two prompting strategies confirm that retrieval augmentation and structured debate are complementary, and that the framework benefits most from models with sufficient instruction-following and clinical language understanding.

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

Zero-Shot Active Feature Acquisition via LLM-Elicitation

arXiv:2606.18933v1 Announce Type: new Abstract: Active feature acquisition (AFA) sequentially selects which features to observe to reach a classification or ranking decision. Its central limitation is reliance on large amount of labeled data to fit probabilistic models guiding acquisition. Large language models (LLMs) supply unsupervised domain knowledge, but are poor sequential planners. Asking one to both know and decide conflates capabilities best kept separate. Here, we develop a framework for zero-shot AFA through disciplined elicitation: asking the LLM only for what it can be trusted to return, the unary deviations and pairwise co-variations that are the sufficient statistics of a Markov random field (MRF). We apply our framework to two settings: binary classification and top-$k$ identification. In practice, the LLM reliably returns only discriminative statistics, what distinguishes the classes rather than each class in isolation, which precludes classical AFA. We apply a maximum-entropy closure that resolves this gauge ambiguity. We evaluate on a cohort of Inflammatory Bowel Disease (IBD) patients, an active clinical setting where diagnostic ambiguity and patient heterogeneity obstruct stable treatment strategies. Our framework outperforms the LLM both on real labels and on its own extracted beliefs. Where it matters most, on the hardest patients, our top-$k$ acquisition policy markedly outperforms all existing methods.

22.
arXiv (quant-ph) 2026-06-19

Quantum-Accelerated Self-Consistent Field: A Hybrid Algorithm

arXiv:2606.20176v1 Announce Type: new Abstract: We present the Grover adaptive search self-consistent field (GAS-SCF) algorithm. GAS-SCF leverages quantum arithmetic to construct an efficient oracle that marks target states (Fock states) which improve upon some initial classical energy estimate. Amplitude amplification then increases the probability of measuring these states. This approach offers a theoretical quadratic speed-up for the optimization problem encountered in SCF quantum chemistry and establishes a baseline against which structured optimization algorithms, such as QAOA and DQI may be compared. In this work, we classically simulate three examples as proofs of concept of the algorithm, the largest consisting of 26 qubits. We then extend our analysis to two larger systems, with O3 representing the largest case at 330 qubits. These examples are chosen to probe classically challenging SCF regimes. Achieving chemically relevant applications of GAS-SCF will require large-scale, fault-tolerant quantum hardware.

24.
Nature (Science) 2026-06-10

Hybrid refinery process turns plant material into industrially important chemical

An ingredient of nylon has been made in high yields from lignin — revealing a fresh strategy for turning this complex plant biopolymer into industrial chemicals. An ingredient of nylon has been made in high yields from lignin — revealing a fresh strategy for turning this complex plant biopolymer into industrial chemicals.