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01.
arXiv (quant-ph) 2026-06-17

Breaking the bicycle frame: Coset-based quantum LDPC codes

arXiv:2606.17268v1 Announce Type: new Abstract: Generalizing the construction of two-block group algebra (2BGA) codes, we introduce a family of two-block quantum LDPC codes constructed using the action of a group on the cosets of its subgroup. This replaces the regular group actions of the earlier two-block constructions and significantly expands the search space, yielding new quantum LDPC codes outside the 2BGA family. Through a computer search, we identify several new quantum LDPC codes, including weight-6 codes with parameters $[[48,8,6]]$, $[[96,8,10]]$, and $[[224,12,16]]$, as well as weight-8 codes with parameters $[[84,16,8]]$, $[[112,16,10]]$, $[[128,16,12]]$, and $[[168,16,15]]$. Furthermore, we introduce a maximally packed syndrome extraction schedule of depth $w+2$, including initialization and measurement steps, for any code with a maximum stabilizer weight of $w$ from our family. Under a standard circuit-level noise model, our codes, when decoded using BP-OSD, perform competitively with BB codes, achieving thresholds of $\approx0.65\%$ for the weight-6 family and $\approx0.35\%$ for the weight-8 family. Finally, we introduce a group-theoretic framework to generate sequences of graph-based covers of 2BGA codes, recovering and extending recent results on code constructions of this type.

02.
arXiv (CS.CL) 2026-06-15

GitOfThoughts: Version-Controlled Reasoning and Agent Memory You Can Replay, Diff, and Merge

Large language model (LLM) reasoning is ephemeral: chains of thought vanish with the context window, pruned search branches leave no record, and memory buffers cannot be diffed, merged, or audited. Every other complex software process (code, infrastructure, data, experiments) is version-controlled; reasoning is not. We introduce GitOfThoughts, which stores an agent's reasoning tree as a git repository: every scored thought is a commit, scores are notes, outcomes are tags, and retrieval is "git log" over the agent's own history. This makes reasoning replayable, auditable, and mergeable across agents at near-zero engineering cost. We then ask the harder question: does memory, in any substrate, actually improve accuracy? Across five substrates (none, markdown, vector, graph, git), two benchmarks, two model scales, and pre-registered replications, the answer for novel problems is no. No memory format reliably helps, and a promising early result collapsed under its own pre-registered replication. Memory pays only above what we call the copyability threshold: when the retrieved case is a near-duplicate of the current problem (similarity >~ 0.8), accuracy jumps sharply; below it, nothing. The gain is answer retrieval, not method transfer: a 4.5x larger model doubles the near-duplicate payoff yet still cannot extract a transferable method from a worked example. The only general lever we find is test-time sampling. The case for git-as-substrate is therefore auditability, provenance, and mergeability at accuracy parity. We document a retracted result and a refuted hypothesis to model the evaluation standard we hold ourselves to.

03.
arXiv (CS.CV) 2026-06-25

Heterogeneous and Adept Snapshot Distillation for 3D Semantic Segmentation

Multi-modal fusion and multi-model ensembling are prevalent in enhancing the performance of 3D semantic segmentation. Despite the impressive performance, these methods either rely on auxiliary input signals or suffer from costly computational expense. To efficaciously enhance the segmentation performance without introducing intolerable costs, we propose to transfer the rich knowledge from the multi-modal model (i.e., point clouds and images) and multiple model experts to the point-cloudbased network through knowledge distillation. Specifically, we present Information-oriented Heterogeneous Distillation (IHD) to help the uni-modal model absorb the complementary knowledge from the multi-modal teacher. We design the Information-Oriented Filtering (IOF) strategy to select informative images from the continuous image sequence for multi-modal fusion. This practice can boost the performance of the multi-modal teacher, thus benefiting the learning of the student. Besides, as opposed to vanilla model ensembling that requires the separate training of each expert, we propose Adept Snapshot Distillation (ASD). ASD treats the freely available model snapshots generated during the training phase as multiple experts, which significantly reduces the training cost for model ensembling. For each expert teacher, it only provides supervision to the student in the class where it is adept. The resulting Heterogeneous and Adept Snapshot Knowledge Distillation, dubbed HAS-KD, attains state-of-the-art results on ScanNetV2 and S3DIS datasets. HAS-KD can be seamlessly integrated into contemporary 3D segmentation algorithms and bring considerable gains without introducing extra inference burdens. The code will be made publicly available upon publication.

04.
arXiv (CS.AI) 2026-06-25

OncoSynth: Synthetic data generation for treatment effect estimation in oncology

arXiv:2606.25762v1 Announce Type: cross Abstract: In oncology, access to patient-level data is often restricted. Synthetic data provides an alternative for analyzing treatment effectiveness, but existing methods for synthetic data generation fail to preserve the causal relationships between covariates, treatments, and outcomes, thereby leading to biased estimates of treatment effects. Here, we introduce OncoSynth, a generative, causally-aware machine learning framework designed to produce synthetic cohorts that enable accurate estimation of population- and patient-level treatment effects. OncoSynth uses a diffusion-based sequential approach to model how covariates influence treatment assignment and how treatment affects survival. We evaluate OncoSynth using large lung (N = 37,128) and breast cancer (N = 17,046) cohorts. Our results show that OncoSynth generates high-fidelity synthetic patient cohorts that preserve real-world patient, treatment, and outcome distributions. Notably, OncoSynth improves treatment effect estimation over existing approaches, by reducing population-level treatment effect error by up to 66%, and patient-level treatment effect error by up to 58%. Thereby, OncoSynth supports reliable evidence generation for precision oncology in settings where data sharing is restricted.

05.
arXiv (CS.CL) 2026-06-11

Language Shapes Mental Health Evaluations in Large Language Models

Multilingual large language models (LLMs) are increasingly used in socially sensitive mental health contexts, including support chatbots, screening, and content moderation. This raises a reliability question: do semantically equivalent mental health inputs elicit comparable evaluations across languages, or systematic shifts consistent with language-associated social and cultural contexts? We examine this question in an English-Chinese setting with GPT-4o and Qwen3-32B using a two-level framework: construct-level evaluative orientation, measured by psychometric stigma instruments, and decision-level behavior, measured by binary stigma detection and four-class depression severity classification. Across instruments and models, Chinese prompts elicit higher stigma-related scores than English prompts. At the decision level, Chinese prompts reduce sensitivity to stigmatizing content and produce more conservative depression severity judgments, leading to more under-estimation errors. These findings show that prompt language can shift both evaluative orientation and downstream behavior in LLM-based mental health evaluation. They highlight the need to evaluate multilingual LLMs not only for aggregate performance, but also for whether they apply comparable evaluative standards across languages in socially sensitive domains.

06.
bioRxiv (Bioinfo) 2026-06-24

SEMFA: A General Framework for Inferring Statistical Significance of Mahalanobis Similarity between Multi-Omics Profiled Samples Built on Multiple Factor Analysis

Motivation: With rapid advances in sequencing technologies, many heterogeneous omics datasets have been generated, as seen in the Encyclopedia of DNA Elements (ENCODE) and many single-cell multi-omics sequencing projects, bringing substantial challenges to existing integrative methods. In this article, we report a novel multi-omics fusion and analysis software SEMFA which performs general parametric tests for the Mahalanobis Similarity of samples based on the factor scores generated by an Extended version of conventional Multiple Factor Analysis. Results: Our developed method is effective and robust under both Gaussian and non-Gaussian assumptions. The mean F1 scores are over 0.8 when the column similarity level is 0.9 and the noise level ranges between 0.1 and 0.2, using simulation studies based on ENCODE count data. It was also efficient and effective at handling large-scale single-cell multi-omics data, as demonstrated in colon cancer cases as it unveiled signature network organization patterns of cells for stages III and IV.

07.
arXiv (CS.LG) 2026-06-18

CODEBLOCK: Learning to Supervise Code at the Right Granularity

arXiv:2606.18286v1 Announce Type: new Abstract: Supervised fine-tuning of code LLMs typically applies uniform cross-entropy loss to all response tokens, implicitly assuming that every token provides equally useful learning signal. Recent token-level selection methods challenge this assumption in natural-language SFT by supervising only high-value tokens. However, directly transferring token-level masking to code can break syntactically and semantically coherent program units, because code depends on structural completeness and definition-use relations. We therefore propose CodeBlock, a structure-aware sparse supervision framework that selects structure-complete code evidence rather than isolated tokens. CodeBlock first selects high-quality instruction-response pairs, then partitions code responses into syntactically coherent coding items, estimates their utility by aggregating generalized cross-entropy over core logic tokens, and reranks them with data-flow reach and bridge signals to prioritize blocks that propagate or connect important program dependencies. During training, the full response remains available as context, while loss is applied only to selected code items and informative natural-language tokens. Experiments on six code-generation benchmarks show that CodeBlock achieves stronger average pass@1 than full-token SFT and competitive selection baselines, while using only 1.9% of supervised response tokens.

08.
arXiv (CS.AI) 2026-06-16

Learning Permutation Distributions via Reflected Diffusion on Ranks

arXiv:2603.17353v2 Announce Type: replace-cross Abstract: The finite symmetric group S_n provides a natural domain for permutations, yet learning probability distributions on S_n is challenging due to its factorially growing size and discrete, non-Euclidean structure. Recent permutation diffusion methods define forward noising via shuffle-based random walks (e.g., riffle shuffles) and learn reverse transitions with Plackett-Luce (PL) variants, but the resulting trajectories can be abrupt and increasingly hard to denoise as n grows. We propose Soft-Rank Diffusion, a discrete diffusion framework that replaces shuffle-based corruption with a structured soft-rank forward process: we lift permutations to a continuous latent representation of order by relaxing discrete ranks into soft ranks, yielding smoother and more tractable trajectories. For the reverse process, we introduce contextualized generalized Plackett-Luce (cGPL) denoisers that generalize prior PL-style parameterizations and improve expressivity for sequential decision structures. Experiments on sorting and combinatorial optimization benchmarks show that Soft-Rank Diffusion consistently outperforms prior diffusion baselines, with particularly strong gains in long-sequence and intrinsically sequential settings.

09.
arXiv (quant-ph) 2026-06-16

Light-induced nonadiabatic dissipative quantum dynamics of the Na2 molecule

arXiv:2606.15292v1 Announce Type: new Abstract: Strong light-matter coupling between molecules and optical or plasmonic cavity modes has emerged as a promising platform for advancing photonics, materials science, and chemistry. However, optical cavities and plasmonic resonators in particular are inherently lossy systems characterized by finite photon lifetimes. Accurate theoretical descriptions of molecular dynamics under strong coupling therefore require a proper treatment of cavity losses. In this work, we compare three theoretical approaches for modeling dissipative molecule-cavity dynamics within a realistic parameter regime: the Lindblad master equation, the stochastic Schrödinger equation, and the non-Hermitian Schrödinger equation. As an example, we consider the two lowest energy state of Na2 molecule coupled to a cavity mode and analyze the time evolution of the excited-state population and the mean photon number. Our results demonstrate that the stochastic Schrödinger equation provides an accurate and computationally efficient alternative to the Lindblad master equation, while the non-Hermitian Schrödinger approach is found to be applicable only within a limited range of conditions. Furthermore, we show that inclusion of molecular rotation leads to rotational-vibrational-photonic coupling and gives rise to pronounced nonadiabatic dynamics through light-induced conical intersections. These findings highlight the importance of both dissipation and rotational degrees of freedom for a realistic description of molecular dynamics in strongly coupled molecule-cavity systems.

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

KidRisk: Benchmark Dataset for Children Dangerous Action Recognition

Children are naturally energetic, and during their spontaneous activities, they often encounter potentially dangerous situations, especially when lacking parental supervision. Identifying actions that pose risks plays a crucial role in ensuring their safety. This paper build a novel challenging dataset, namely KidRisk, including 2,500 short videos of children's actions and 10,000 images for dangerous action of children. We also introduce a benchmark on our newly constructs dataset and find that traditional deep learning models demonstrated limited effectiveness on these tasks. Therefore, we develop vision-language based baselines with exceptional context understanding of visual information. Our proposed methods achieved an accuracy of 83.53% in classifying children's actions and 96.14% in recognizing children's dangerous actions, significantly outperforming traditional approaches. These results confirm that vision-language models are not only feasible but also highly effective in detecting hazardous actions, contributing positively to safeguarding children's safety.

11.
Nature (Science) 2026-06-11

‘Footballers are not superheroes’: we must tackle the mental and physical pressures of elite sport

作者:

As the men’s football World Cup gets under way, how the game weighs on the health of athletes still isn’t talked about enough, says player-turned-medic Vincent Gouttebarge. As the men’s football World Cup gets under way, how the game weighs on the health of athletes still isn’t talked about enough, says player-turned-medic Vincent Gouttebarge.

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

Polycepta: Object-Centric Appearance Estimation for Multi-Object Tracking

arXiv:2606.23604v2 Announce Type: replace-cross Abstract: The tracking-by-detection paradigm in multi-object tracking (MOT) typically relies on static appearance descriptors to complement motion estimation. However, these descriptors are frame-independent, limiting their robustness as visual cues. Since such descriptors are often obtained from computationally intensive pretrained backbones, real-time MOT systems frequently abandon appearance cues altogether and rely solely on motion prediction and geometric association. In this work, we introduce Polycepta, an object-centric appearance state estimation framework that reformulates appearance modeling as a recursive estimation problem rather than a frame-wise matching task. Polycepta constructs and continuously updates an independent appearance state for each tracked object, enabling future appearance representations to be estimated from accumulated observations. Polycepta is encouraged to learn the appearance-state construction of object-specific representations rather than memorize them through a proposed learning strategy, enabling appearance estimation for unseen classes. A key property of Polycepta is that the quality of appearance estimation improves as object states evolve during inference. While conventional appearance descriptors remain static or degrade over time, Polycepta progressively refines appearance estimates as additional observations are accumulated. Extensive experiments on KITTI, the Waymo Open Dataset, and MOT17 demonstrate consistent reductions in identity switches and improvements in tracking performance when integrated into the tracking-by-detection pipelines. Polycepta operates at 90.57 Hz and delivers state-of-the-art performance on the KITTI benchmark when integrated into the RobMOT framework, achieving a MOTA of 92.27\%.

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

Machine-learning-based multipoint optimization of fluidic injection parameters for improving nozzle performance

arXiv:2409.12707v2 Announce Type: replace-cross Abstract: Fluidic injection offers a promising solution to improve the performance of the overexpanded single expansion ramp nozzles (SERNs) during vehicle acceleration. However, determining the injection parameters that yield the best overall performance across multiple nozzle operating conditions remains a challenge. The gradient-based optimization method requires gradients of injection parameters at each design point, which can lead to high computational costs when using computational fluid dynamics (CFD) simulations. This paper uses a pretrained neural network to replace CFD during optimization, enabling quick calculation of the nozzle flow field at multiple design points. Considering the physical characteristics of the nozzle flow field, a prior-based prediction strategy is adopted to enhance the model's accuracy. In addition, the neural network's back-propagation algorithm computes gradients quickly by running the computation only once, thereby greatly reducing gradient computation time compared to the finite difference method. As a test case, the average nozzle thrust coefficient of an SERN at seven design points is optimized, resulting in a 1.14\% improvement. The time cost is greatly reduced compared with traditional optimization methods, even when the time required to establish the training database is included.

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

Estimating Mutual Information between Time Series and Temporal Event Sequences Across Diverse Analysis Tasks

arXiv:2606.01602v2 Announce Type: replace-cross Abstract: Pairwise dependence measures such as correlation and causality are fundamental to temporal data mining, yet there is still no principled and robust way to quantify dependence between heterogeneous data types, especially between continuous time series and discrete temporal event sequences. Existing approaches rely on ad hoc transformations or mutual-information estimators that are highly sensitive to quantization, repeated values, and event redundancy, leading to biased or unstable results in practice. We propose a nonparametric mutual information estimator that directly measures the dependence between time series and event sequences without data transformation, learning, or ad hoc discretization. Our method models the continuous-discrete duality of real-world time series to handle quantization and repeated-value artifacts and introduces a latent event clustering strategy to mitigate bias from event co-occurrence and redundancy. Together, these yield a robust and unified framework that bridges discrete and continuous mutual information. We evaluate the proposed estimator on four representative tasks: discrete-continuous time-delayed mutual information for causality analysis, global and local temporal repetition discovery, discrete covariate selection for time series forecasting, and continuous feature selection for classification. Experiments on synthetic and real-world datasets show consistent improvements over existing methods in accuracy, robustness, and interpretability, positioning our approach as a general-purpose dependence operator for heterogeneous temporal data, similar to Pearson correlation for homogeneous time series. Code available at: https://github.com/HaojiHu/Multimodal-Temporal-Data-Quantification

15.
PLOS Medicine 2026-06-04

Beyond associations: Navigating the safety of non-steroidal anti-inflammatory drugs (NSAIDs) in early pregnancy

by Andrew S. C. Yuen, Kenneth K. C. Man Pain and fever in pregnancy require treatment, but fetal safety concerns complicate analgesic choice. A recent PLOS Medicine study presents new evidence on the safety of first-trimester NSAID use and congenital malformation risk, but interpreting findings across studies is challenging. In this Perspective, Kenneth Man and Andrew Yuen highlight a recent PLOS Medicine study that presents new evidence on the safety of first-trimester NSAID use and congenital malformation risk, but discuss why interpreting findings across studies is challenging.

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

Mind the Gap: Diagnosing Constraint Discovery Failures in Text-in-Image Editing

作者:

A key challenge in multimodal reasoning is determining which visual dependencies become relevant under a specific task, rather than merely recognizing visible content. We study this through edit-induced constraint discovery in text-in-image editing, a controlled diagnostic setting where a local text change can activate secondary consistency constraints: given a valid editing instruction and an image, can a model identify the secondary regions that must also change? Across 461 diagnostic cases, four MLLMs, and 19 constraint subtypes, models recover only 46% case-level macro recall under unguided prompting versus 94% when constraints are explicitly provided, suggesting that a substantial portion of the failure arises when models must decide which unstated dependencies to surface. Oracle-field decomposition shows that case-specific causal explanations are the most effective partial guidance (0.782 recall), above region names (0.610) or type labels (0.646), suggesting that edit-specific causal cues account for much of the oracle gain. A downstream experiment further shows that higher self-discovery recall does not necessarily improve task performance: unverified self-discovery introduces false positives that offset recall gains, motivating precision-aware constraint elicitation.

17.
arXiv (CS.CL) 2026-06-25

Constituency Structure over Eojeol in Korean Treebanks

The design of Korean constituency treebanks raises a central representational question concerning the choice of terminal units. Although Korean words are morphologically complex, treating morphemes as constituency terminals can obscure the distinction between word-internal morphology and phrase-level syntactic structure, and can create mismatches with eojeol-based dependency resources. This paper argues for an eojeol-based constituency representation, with morphological segmentation and fine-grained POS information encoded in a separate, non-constituent layer. A comparative analysis shows that, under explicit normalization assumptions, the Sejong, Penn Korean, and KAIST treebanks can be compared over a shared eojeol-based constituency backbone. Building on this result, we outline an eojeol-based annotation scheme that preserves interpretable constituency, supports cross-treebank comparison and constituency-dependency alignment, and provides a surface-form terminal layer for future end-to-end Korean constituency parsing.

18.
arXiv (quant-ph) 2026-06-19

GPU-accelerated semidefinite programming for causal games

arXiv:2606.20519v1 Announce Type: new Abstract: The process matrix formalism describes quantum correlations in scenarios without a fixed causal order between local laboratories. Operational signatures of such correlations can be investigated through causal games. A paradigmatic example is the Guess-Your-Neighbour's-Input game, in which two parties attempt to guess each other's inputs. Correlations compatible with any definite, or probabilistically mixed, causal order cannot achieve a winning probability exceeding $1/2$. The best process-matrix strategy currently known attains a value of approximately $0.6218$ using local dimension $d=5$, while the strongest known dimension-independent upper bound is $0.7592$. In this work, we investigate whether increasing the local dimension beyond $d = 5$ can narrow this gap. To this end, we employ a see-saw optimization scheme in which each step is formulated as a semidefinite program. For scalability, we develop a custom implementation of the SCS solver in which the dominant computational cost, the projection onto the positive-semidefinite cone, is offloaded to a GPU, yielding a six-fold speedup. Using this implementation, we explore local dimensions up to $d = 8$, and we do not find significant improvements over the value at $d=5$. Our results suggest that either qualitatively different strategies are required to approach the known upper bound, or that the bound itself is not tight.

19.
arXiv (CS.CV) 2026-06-25

MJEPA: A Simple and Scalable Joint-Embedding Predictive Architecture for Audio-Visual Learning

Self-supervised learning from large-scale video data has emerged as a dominant paradigm for visual representation learning. Since audio and visual streams naturally co-occur in video data, extending this success to jointly learn from both modalities is a natural next step, yet it remains challenging. Existing audio-visual self-supervised methods rely on modality-specific encoders and complex combinations of contrastive or reconstruction objectives, limiting cross-modal synergy and scalability. Joint Embedding Predictive Architectures (JEPAs) offer a simple, modality-agnostic alternative, but have to date been applied primarily to individual modalities. We introduce MJEPA, a joint-embedding predictive architecture for audio-visual learning that uses a single, unified encoder for both modalities. Our approach uses only a single predictive objective, applied both within and across modalities. We show that cross-modal prediction is critical: without it, a shared encoder degrades below unimodal baselines; with it, each modality's representation benefits from the other. Our frozen ViT-g model outperforms the best prior frozen baseline by over 6.8 mAP on AudioSet-20K, surpasses fully finetuned models on ESC-50 and FSD50K, and is competitive on video benchmarks despite using 10x less video data.

20.
arXiv (CS.AI) 2026-06-25

RARM: Confidence-Gated Progress Reward Modeling for RL in Manipulation

arXiv:2606.22027v2 Announce Type: replace-cross Abstract: Reinforcement learning for robot manipulation is often bottlenecked by reward design, especially in long-horizon tasks: sparse success rewards provide weak supervision, while hand-crafted dense rewards are tedious to design and generalize poorly across tasks. Progress-based reward models offer a promising alternative by estimating how far an observation has advanced toward task completion, but existing approaches often require task-specific demonstrations or progress labels, and can assign high rewards to visually plausible but physically incorrect states. We introduce the Reference-Anchored Reward Model (RARM), a lightweight visual comparator that converts a single successful demonstration into a dense, progress-aware reward. RARM is trained once on general-purpose videos with a contrastive temporal objective, requiring no robot-specific data, task-specific reward labels, or per-task reward engineering. At deployment, RARM matches rollout clips to reference clips and rewards only confident forward progress, suppressing uncertain matches that may otherwise produce false-positive rewards. Across 9 simulated manipulation tasks from LIBERO and MetaWorld and 4 real-world tasks, RARM achieves the best overall success rates in subsequent RL training, with particularly large gains on long-horizon tasks such as cloth folding, where unreliable progress estimates are especially harmful.

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

ResearchClawBench: A Benchmark for End-to-End Autonomous Scientific Research

AI coding agents are increasingly used for scientific work, but their end-to-end autonomous research capability remains difficult to verify. We present ResearchClawBench, a benchmark for evaluating autonomous scientific research across 40 tasks from 10 scientific domains. Each task is grounded in a real published paper, provides related literature and raw data, and hides the target paper during evaluation. Expert-curated multimodal rubrics decompose the target scientific artifacts into weighted criteria, enabling evaluation of target-paper-level re-discovery while leaving room for new discovery. We evaluate seven autonomous research (auto-research) agents under a unified protocol and seventeen native LLMs through the lightweight ResearchHarness. Current systems remain far from reliable re-discovery: the strongest autonomous agent, Claude Code, averages 21.5, and the strongest ResearchHarness LLM, Claude-Opus-4.7, averages 20.7, with an LLM frontier mean of only 26.5. Error analysis shows that failures concentrate in experimental protocol mismatch, evidence mismatch, and missing scientific core. ResearchClawBench provides a reproducible evaluation frontier for measuring progress toward autonomous scientific research.

22.
Nature (Science) 2026-06-18

Daily briefing: The brain builds a sentence neuron by neuron

作者:

Researchers have tracked the electrical activity of individual brain cells during conversation in real time. Plus, the history of GPS and a cross-species transplant that could reveal clues about the origin of animals. Researchers have tracked the electrical activity of individual brain cells during conversation in real time. Plus, the history of GPS and a cross-species transplant that could reveal clues about the origin of animals.

23.
arXiv (quant-ph) 2026-06-24

Enhancing quantum-classical configuration interaction methods using a neural-network classifier

arXiv:2606.24332v1 Announce Type: cross Abstract: Selected configuration interaction methods achieve near-exact electronic structure calculations by iteratively constructing compact variational spaces, but their efficiency depends critically on the heuristics used to identify important determinants. Here, we introduce a data-driven selection framework that recasts determinant importance as a binary classification task and integrates a neural-network classifier into the iterative CI workflow through an active-learning loop. At each iteration, a random subset of candidate determinants is labelled via temporary diagonalisation, and the trained classifier guides selection of the remaining configurations. We demonstrate the utility of this framework for both classical and quantum CI methods by calculating the ground-state energy of a diatomic molecule. Our method achieves result parity with traditional configuration interaction methods at substantially lower computational cost: roughly a $\times 5$ reduction in memory and per-iteration cost for the classical cHCI variant, and convergence in markedly fewer iterations for the quantum-classical cSQD variant. These results establish classifier-assisted determinant selection as a lightweight, method-agnostic tool for compressing variational spaces and accelerating both classical and hybrid quantum-classical configuration interaction algorithms.

24.
arXiv (CS.CV) 2026-06-11

STEAM: Squeeze and Transform Enhanced Attention Module

Channel and spatial attention mechanisms introduced in earlier work enhance the representational capabilities of deep convolutional neural networks (CNNs) but often increase parameter and computational costs. While recent approaches focus solely on efficient feature context modeling for channel attention, we aim to model both channel and spatial attention comprehensively with minimal parameters and reduced computation. Leveraging the principles of relational modeling in graphs, we introduce a constant-parameter module, STEAM: Squeeze and Transform Enhanced Attention Module, which integrates channel and spatial attention to enhance the representation power of CNNs. To our knowledge, we are the first to propose a graph-based approach for modeling both channel and spatial attention, utilizing concepts from multi-head graph transformers. Additionally, we introduce Output Guided Pooling (OGP), which efficiently captures spatial context to further enhance spatial attention. We extensively evaluate STEAM for large-scale image classification, object detection and instance segmentation on standard benchmark datasets. STEAM achieves a \(2\%\) increase in accuracy over the standard ResNet-50 model with only a meager increase in GFLOPs. Furthermore, STEAM outperforms the leading modules, ECA and GCT, in terms of accuracy while achieving a threefold reduction in GFLOPs. The code will be made available upon acceptance.

25.
bioRxiv (Bioinfo) 2026-06-08

TRACEY: an updated resource for SNARE protein domain annotation with improved HMMs and expanded sequence coverage

Motivation: SNARE proteins catalyse membrane fusion across the eukaryotic endomembrane system, from synaptic vesicle exocytosis to intracellular trafficking, endosomal and vacuolar transport, and autophagy, and their accurate domain annotation depends on the quality of profile models and the sequence diversity behind them. The original SNARE domain classification predates the recent expansion of eukaryotic sequence data, leaving its HMM profiles and subgroup coverage unable to resolve divergent and lineage-specific paralogs. Results: We present an updated release of TRACEY built on a resynchronized, non-redundant collection of 18,915 curated SNARE proteins spanning 1,188 species, together with a consolidated set of 83 HMM profiles, including 43 models for newly defined subgroups, reconstructed through an iterative, mixture-model-driven procedure. In direct comparison with the legacy models, at least ~75% of sequences in every overlapping group scored better with the new HMMs, indicating systematic gains in domain detection. A redesigned web interface adds multiparameter querying, FASTA download, and direct scanning of user-submitted sequences against the curated profiles. Availability and implementation: TRACEY is freely available at https://tracey.unil.ch.