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01.
arXiv (quant-ph) 2026-06-16

Neural network inverse design of nanophotonic scintillators

arXiv:2606.16309v1 Announce Type: cross Abstract: Scintillators are materials converting high-energy radiation into optical light, essential in a range of technologies such as medical imaging systems and security scanners. Scintillator development and optimization have remained limited by the complexity of their underlying physics, involving stochastic cascades of electron-electron, electron-phonon, and electron-photon interactions. Such processes are typically modeled by non-differentiable Monte Carlo simulations, limiting the applicability of machine learning for scintillator development. Here we present a physics-informed neural network that learns the scintillation cascade process from the incident high-energy particle to photon emission, substantially accelerating scintillator design and optimization. Combining this neural network with photonic simulations enables end-to-end differentiable optimization of the scintillator geometry. This allows us to optimize for arbitrary figures of merit, such as specific target emission patterns.. We demonstrate the concept and characterize it relative to previous approaches by inverse design of nanophotonic scintillators for X-ray imaging.

02.
arXiv (CS.CL) 2026-06-24

AI Fiction in the Wild

Some professional authors are beginning to use AI tools to help produce their fiction writing. Are readers using AI to generate fiction, too? Drawing on over 500,000 anonymized, English-language ChatGPT-user conversations (arXiv:2405.01470), we find that more than one third of the conversations involve some form of fiction generation – including original stories, roleplay, fanfiction, and erotica. This AI-generated fiction is notably dominated by power users. We identify common fiction generation patterns and profiles among these users, including what we call "infinite story demanders," who repeatedly request and revise variations of the same or similar narratives over extended periods of time. We show that users especially gravitate toward fanfiction and erotica, and that they are broadly drawn to generic forms, repetition, immediacy, and niche combinations of story elements. Our findings motivate two theoretical provocations. First, we argue that AI technologies may lead to a shift in the conventional relationship between the author and reader, potentially producing what we call a "solipsistic reader-writer," who both generates and consumes fiction within a closed conversational loop, interacting with a machine rather than a human other. Second, we note that LLMs enable interactivity, play, and permutation in ways that are seemingly pleasurable for users, raising questions about where AI will fit into contemporary storytelling and entertainment ecosystems. We situate these developments within broader transformations in literature and media, including self-publishing, fanfiction, and pornography, and suggest that AI-generated fiction shares structural affinities with on-demand, personalized, and repetitive cultural forms.

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

Proper and improper mixed states serve as different prior beliefs for quantum state retrodiction

arXiv:2502.10030v2 Announce Type: replace Abstract: A mixed quantum state can be taken as capturing an unspecified form of ignorance; or as describing the lack of knowledge about the true pure state of the system ("proper mixture"); or as arising from entanglement with another system that has been disregarded ("improper mixture"). These different views yield identical density matrices and therefore identical predictions for future measurements. But when used as prior beliefs for inferring the past state from later observations ("retrodiction"), they lead to different updated beliefs. This is a purely quantum feature of Bayesian agency. Based on this observation, we establish a framework for retrodicting on any quantum belief and we prove a necessary and sufficient condition for the equivalence of beliefs. We also illustrate how these differences have operational consequences in quantum state recovery.

04.
arXiv (CS.AI) 2026-06-19

SIMBA: ABidirectional Retrieval Forward Simulation Framework for Modeling FY-4A GIIRS Hyperspectral Infrared Radiances Toward NWP Applications

arXiv:2606.19943v1 Announce Type: cross Abstract: Hyperspectral infrared observations are an important data source for numerical weather prediction (NWP) because they provide rich information on the vertical structure of atmospheric temperature and humidity. However, most existing deep learning methods mainly focus on one-way retrieval from radiances to atmospheric profiles, while the reverse radiance simulation process and the consistency between atmospheric state space and radiance observation space are insufficiently considered. In this study, we propose SIMBA, a unified bidirectional retrieval-forward simulation framework for FY-4A GIIRS hyperspectral infrared radiance modeling toward NWP applications. The framework jointly performs atmospheric profile retrieval and radiance reconstruction, introduces a cycle-consistency constraint to strengthen the coupling between the two processes, and employs a bidirectional Mamba state-space module to capture long-range dependencies along pressure levels. Using collocated FY-4A GIIRS observations and ERA5 reanalysis data, the proposed method is evaluated for temperature retrieval, specific humidity retrieval, long-wave radiance reconstruction, and medium-wave radiance reconstruction. Experimental results show that SIMBA outperforms several representative deep learning baselines across both retrieval and reconstruction tasks, while ablation experiments confirm the contribution of the bidirectional design and cycle-consistency mechanism. These results demonstrate that the proposed framework is effective for joint atmospheric profile retrieval and hyperspectral infrared radiance modeling, and suggest potential for future Jacobian-related analysis and NWP-oriented extensions.

05.
PLOS Medicine 2026-05-14

Antibody fine specificity correlates with protection from malaria for the RTS,S vaccine in young African children: A post hoc analysis of a phase IIb randomised controlled trial

Authors:

by Alessia Hysa, D. Herbert Opi, Joshua Waterhouse, Sandra Chishimba, Jessica L. Horton, Natalie Kingston, Hans J. Netter, David Wetzel, Michael Piontek, Gaoqian Feng, Jahit Sacarlal, Carlota Dobaño, Liriye Kurtovic, James G. Beeson Background The RTS,S/AS01 malaria vaccine was recently approved for implementation in children, but only provides modest and short-lived efficacy against malaria. RTS,S targets a portion of the Plasmodium falciparum (Pf) circumsporozoite protein (CSP), comprising the central NANP-repeat region and C-terminal domain. Mechanisms of immunity and correlates of protection for the RTS,S vaccine are not well defined, hindering progress towards generating highly effective CSP-based vaccines. Methods and findings We investigated epitope specificity and cross-reactivity of vaccine-induced antibodies to six peptides representing CSP epitopes in the N-terminal and central NANP-repeat region. We evaluated antibody reactivity in preclinical mouse vaccine studies, among CSP-specific monoclonal antibodies (mAbs), and in a large RTS,S phase IIb clinical trial in young children 1–4 years old (n = 735).The preclinical mouse vaccine studies and CSP-specific mAbs were used to initially evaluate IgG responses to the six peptides. Mice immunised with the central NANP-repeat region had IgG with cross-reactivity to an epitope in the N-terminal region. Additionally, we demonstrated that a single CSP-specific mAb could display cross-reactivity to several CSP epitopes. Through post hoc quantification and analysis of antibody responses in the RTS,S phase IIb clinical trial, we found that a subset of children generated IgG with specificity for a short NANP-repeat epitope (NANP2; amino acid sequence: NANPNANP) and cross-reactivity to an N-terminal epitope (J1; amino acid sequence: KQPADGNPDPNANPN). Notably, children with high IgG responses to NANP2 and J1 had a significantly reduced risk of clinical malaria, compared to children with low responses (IgG to NANP2 (aHR: 0.838 (95% CI [0.716, 0.981]; p = 0.028)) and J1 (aHR: 0.718 (95% CI [0.611, 0.844]; p 

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

Point-Identification of a Robust Predictor Under Latent Shift with Imperfect Proxies

arXiv:2603.15158v2 Announce Type: replace Abstract: Addressing the domain adaptation problem becomes more challenging when distribution shifts across domains stem from latent confounders that affect both covariates and outcomes. Existing proxy-based approaches that address latent shift rely on a strong completeness assumption to uniquely determine (point-identify) a robust predictor. Completeness requires that proxies have sufficient information about variations in latent confounders. For imperfect proxies the mapping from confounders to the space of proxy distributions is non-injective, and multiple latent confounder values can generate the same proxy distribution. This breaks the completeness assumption and observed data are consistent with multiple potential predictors (set-identified). To address this, we introduce latent equivalent classes (LECs). LECs are defined as groups of latent confounders that induce the same conditional proxy distribution. We show that point-identification for the robust predictor remains achievable as long as multiple domains differ sufficiently in how they mix proxy-induced LECs to form the robust predictor. This domain diversity condition is formalized as a cross-domain rank condition on the mixture weights, which is substantially weaker assumption than completeness. We introduce the Proximal Quasi-Bayesian Active learning (PQAL) framework, which actively queries a small, targeted set of diverse domains that satisfy this rank condition. PQAL can recover the point-identified predictor, demonstrates robustness to varying degrees of shift and outperforms previous methods on synthetic data and semi-synthetic dSprites, IHDP, ACS Folktables datasets.

07.
medRxiv (Medicine) 2026-06-23

Associations Among Changes in Inflammatory Biomarkers, Pain Intensity, and Health-Related Quality of Life Following a 12-Week Aerobic Exercise Programme in Individuals with Non-Specific Chronic Low Back Pain

Abstract Background: Non-specific chronic low back pain (NSCLBP) is associated with persistent pain, reduced health-related quality of life (HRQoL), and low-grade systemic inflammation. This study examined associations among changes in inflammatory biomarkers, pain intensity, and HRQoL following a 12-week aerobic exercise programme. Methods: This secondary analysis used data from a randomized controlled trial involving 41 participants with NSCLBP (intervention, n = 21; control, n = 20). Participants received either supervised aerobic exercise plus health education or health education alone for 12 weeks. Change scores for tumour necrosis factor-alpha (TNF-), interleukin-6 (IL-6), high-sensitivity C-reactive protein (hs-CRP), pain intensity, and HRQoL domains were analysed using correlation and multiple regression analyses. Results: Improvements in IL-6 (r = 0.434, p = 0.005) and hs-CRP (r = 0.444, p = 0.004) were significantly associated with improvements in pain intensity. No significant associations were observed between biomarker changes and HRQoL domains. Treatment allocation was the strongest independent predictor of improvement in physical HRQoL ({beta} = 0.492, p = 0.017) and pain intensity ({beta} = -0.512, p = 0.006). Conclusions: Improvements in IL-6 and hs-CRP were associated with reductions in pain intensity but not with improvements in HRQoL. Treatment allocation was the strongest predictor of clinical improvement, suggesting that mechanisms beyond systemic inflammation may contribute to the benefits of aerobic exercise in NSCLBP. Keywords: non-specific chronic low back pain; aerobic exercise; inflammation; interleukin-6; high-sensitivity C-reactive protein; pain intensity; health-related quality of life.

08.
arXiv (CS.CL) 2026-06-24

Quantifying Prior Dominance in RAG Systems

Authors:

Retrieval-Augmented Generation (RAG) grounds Large Language Models in external knowledge, yet current evaluations rely on discrete heuristics that suffer from ''epistemic blindness'' - failing to distinguish genuine contextual information extraction from parametric memory recall. To address this, we introduce the Normalized Context Utilization (NCU) metric, leveraging continuous token log-probabilities across zero-shot, oracle, and adversarial conditions to strictly quantify contextual information gain. Evaluating architectures ranging from 1.5B to 72B parameters alongside a proprietary commercial API reveals that for strict factual extraction (without Chain-of-Thought reasoning), traditional scaling laws exhibit extreme diminishing returns: highly efficient Small Language Models (SLMs) match or outperform high-capacity architectures. Furthermore, we demonstrate that ``Prior Dominance'' correlates with model scale and proprietary alignments. The evaluated commercial API not only overrode explicit external evidence in nearly half of adversarial conflicts, but also frequently suffered from systemic confidence collapse (Negative Transfer) when its parametric priors were contradicted. Our findings highlight the structural epistemic advantage and superior contextual adherence of SLMs in strict extraction workflows.

09.
arXiv (CS.LG) 2026-06-16

NanoQuant: Efficient Sub-1-Bit Quantization of Large Language Models

arXiv:2602.06694v3 Announce Type: replace Abstract: Weight-only quantization has become a standard approach for efficiently serving large language models (LLMs). However, existing methods fail to efficiently compress models to binary (1-bit) levels, as they either require large amounts of data and compute or incur additional storage. In this work, we propose NanoQuant, the first post-training quantization (PTQ) method to compress LLMs to both binary and sub-1-bit levels. NanoQuant formulates quantization as a low-rank binary factorization problem, and compresses full-precision weights to low-rank binary matrices and scales. Specifically, it utilizes an efficient alternating direction method of multipliers (ADMM) solver to precisely initialize latent binary matrices and scales, and then tunes the initialized parameters through a block and model reconstruction process. Consequently, NanoQuant establishes a new Pareto frontier in low-memory post-training quantization, and enables sub-1-bit compression. NanoQuant makes large-scale deployment feasible on consumer hardware. For example, it compresses Llama2-70B by 25.8$\times$ in just 13 hours on a single H100, enabling a 70B model to operate on a consumer 8 GB GPU. Code is available at https://github.com/SamsungLabs/NanoQuant.

10.
arXiv (CS.AI) 2026-06-16

Poster: EdgeCitadel – Hybrid NATS-MQTT Orchestration for Edge Multi-Agent Systems

arXiv:2606.14710v1 Announce Type: cross Abstract: Edge-resident AI agents increasingly span home servers, IoT hubs, laptops, and phones, yet their coordination stacks still assume cloud-style transports or a central relay. We present EdgeCitadel, an edge multi-agent orchestration platform built around a single NATS 2.10 server with the built-in MQTT adapter. The design combines MQTT connectivity for heterogeneous agents, JetStream-backed persistence and replay for backend services, direct peer delegation over a shared subject namespace, and a passive aggregator that visualizes and stores traffic without sitting on the delivery path. Our poster highlights the migration from MQTT relay prototypes (common in IoT communication) to the current hybrid architecture and demonstrates a working cross-device testbed spanning ARM64, x64, and Android clients.

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

MedLatentDx: Latent Multi-Agent Communication for Cross-Hospital Rare-Disease Diagnosis

Rare diseases affect over $300$ million patients across more than $7{,}000$ conditions, yet no single hospital encounters enough cases of any one condition for reliable diagnosis. Cross-hospital collaboration could help by allowing a diagnosing institution to use distributed, case-specific diagnostic evidence, but privacy regulations restrict the transmission of identifiable clinical text across institutional boundaries. This setting raises two challenges: existing medical agent systems often rely on textual evidence exchange, while raw latent states such as hidden states and KV caches may still reveal prompt-derived clinical content. We introduce MedLatentDx, a latent multi-agent communication framework in which hospital agents keep private clinical records and retrieved cases local, and send compact latent KV blocks to a host agent for rare-disease diagnosis. MedLatentDx supports two deployment settings: same-backbone hospital agents use latent KV distillation, while hospitals with different LLM backbones use cross-family latent alignment. On CrossRare-Bench, a self-built large-scale rare-disease benchmark with hospital-level partitions, MedLatentDx improves cross-hospital diagnostic performance while reducing reconstructable clinical content relative to raw-latent communication baselines.

12.
bioRxiv (Bioinfo) 2026-06-23

Learning interpretable structural similarity from tandem mass spectra for small molecule analog discovery

Analog discovery remains a central bottleneck in mass spectrometry-based untargeted metabolomics, as conventional spectral similarity scores poorly reflect molecular structure. We introduce SIMBA, a transformer-based model that infers two interpretable graph-based distances, maximum common edge subgraph and substructure edit distance, directly from tandem mass spectra. SIMBA consistently retrieves structurally closer analogs than existing methods, enabling structure-aware small molecule identification beyond exact spectral matching.

13.
arXiv (CS.LG) 2026-06-16

Finite-Width Neural Tangent Kernels from Feynman Diagrams

arXiv:2508.11522v4 Announce Type: replace Abstract: Neural tangent kernels (NTKs) are a powerful tool for analyzing deep, non-linear neural networks. In the infinite-width limit, NTKs can easily be computed for most common architectures, yielding full analytic control over the training dynamics. However, at infinite width, important properties of training such as NTK evolution or feature learning are absent. Nevertheless, finite width effects can be included by computing corrections to the Gaussian statistics at infinite width. We introduce Feynman diagrams for computing finite-width corrections to NTK statistics. These dramatically simplify the necessary algebraic manipulations and enable the computation of layer-wise recursion relations for arbitrary statistics involving preactivations, NTKs and certain higher-derivative tensors (dNTK and ddNTK) required to predict the training dynamics at leading order. We demonstrate the feasibility of our framework by extending stability results for deep networks from preactivations to NTKs and proving the absence of finite-width corrections for scale-invariant nonlinearities such as ReLU on the diagonal of the Gram matrix of the NTK. We numerically implement the complete set of equations necessary to compute the first-order corrections for arbitrary inputs and demonstrate that the results follow the statistics of sampled neural networks for widths $n\gtrsim 20$.

14.
arXiv (CS.CL) 2026-06-24

Pigeonholing: Bad prompts hurt models to collapse and make mistakes

While in-context learning is generally shown to be effective in Large Language Models (LLMs), bad contexts can cause performance degradation and mode collapse, a phenomenon we call "pigeonholing." **Unintentionally bad** contexts can happen without malicious jailbreaking intents: For example, a user asks the model to justify an incorrect math theorem or fails to correct the model's buggy code. Specifically, we investigate ``pigeonholing" in two scenarios: (1) when the user suggests a solution, and (2) when the conversation context includes the assistant's previous (incorrect) responses. Our experiments across 10 verifiable and open-ended tasks with 10 different models show that pigeonholing manifests in several ways: (1) repeating the incorrect answers from context (leading to 38-40% performance drop), (2) converging on a narrow set of answers in coding and text generation without exploring alternatives, and (3) flipping stance on controversial topics to align with the user or the assistant's previous claims. We find that pigeonholing worsens almost monotonically with the number of conversation turns (performance drops by additional 14+% as repeated mistakes increase from 1 to 5), and pigeonholing-induced mode collapse can happen even when the provided example is correct. As a step toward mitigation, we propose RLVR with synthetic errors which improves models by 43-60% under bad contexts compared to vanilla RLVR baselines.

15.
arXiv (quant-ph) 2026-06-11

Dynamically Optimal Unraveling Schemes for Simulating Lindblad Equations

arXiv:2509.19887v2 Announce Type: replace Abstract: Stochastic unraveling schemes are powerful computational tools for simulating Lindblad equations, offering significant reductions in memory requirements. However, this advantage is accompanied by increased stochastic uncertainty, and the question of optimal unraveling remains open. In this work, we investigate unraveling schemes driven by Brownian motion or Poisson processes and present a comprehensive parametric characterization of these approaches. For the case of a single Lindblad operator and one noise term, this parametric family provides a complete description for unraveling scheme with pathwise norm-preservation. We further analytically derive dynamically optimal quantum state diffusion (DO-QSD) and dynamically optimal quantum jump process (DO-QJP) that minimize the growth rate of the variance of an observable locally in time. Compared to jump process ansatz, DO-QSD offers two notable advantages: firstly, the variance for DO-QSD can be rigorously shown not to exceed that of any jump-process ansatz locally in time; secondly, it has very simple expressions. Numerical results demonstrate that the proposed DO-QSD scheme may achieve substantial reductions in the variance of observables and the resulting simulation error.

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

Metric Match: A Subset Selection Approach to Evaluating LLM Judge Reliability

arXiv:2606.15029v1 Announce Type: new Abstract: LLM judges are used to reduce the need for costly human labor in evaluating open-ended text generation. However, the reliability of these judges depends critically on their alignment with human raters – a property that itself depends on costly human annotations. In this work, we develop a method (Metric Match) for estimating correlation-based reliability metrics of LLM judges from limited annotations. Metric Match selects a subset of samples for human annotation such that the subset matches the population reliability metric with respect to acquired synthetic labels. We empirically show that Metric Match achieves a win-rate of 0.838 against random subset selection across four different correlation metrics and 15 datasets, with an 18.7% decrease in average estimation error and reduces annotation needs by 32.5%. We provide a cost model and highlight a medical case study where our method saves $1,041.67 compared to random selection for expert annotation. Further, we shift our task from reliability estimation to reliability classification of whether a given judge is above a deployment threshold, outperforming random selection with Metric Match. All project code is publicly available, and we additionally provide an installable package for ease of use.

17.
arXiv (CS.AI) 2026-06-19

Bi-Anchor Interpolation Solver for Accelerating Generative Modeling

arXiv:2601.21542v3 Announce Type: replace-cross Abstract: Flow Matching (FM) models have emerged as a leading paradigm for high-fidelity synthesis. However, their reliance on iterative Ordinary Differential Equation (ODE) solving creates a significant latency bottleneck. Existing solutions face a dichotomy: training-free solvers suffer from significant performance degradation at low Neural Function Evaluations (NFEs), while training-based one- or few-steps generation methods incur prohibitive training costs and lack plug-and-play versatility. To bridge this gap, we propose the Bi-Anchor Interpolation Solver (BA-solver). BA-solver retains the versatility of standard training-free solvers while achieving significant acceleration by introducing a lightweight SideNet (1-2% backbone size) alongside the frozen backbone. Specifically, our method is founded on two synergistic components: 1) Bidirectional Temporal Perception, where the SideNet learns to approximate both future and historical velocities without retraining the heavy backbone; and 2) Bi-Anchor Velocity Integration, which utilizes the SideNet with two anchor velocities to efficiently approximate intermediate velocities for batched high-order integration. By utilizing the backbone to establish high-precision ``anchors'' and the SideNet to densify the trajectory, BA-solver enables large interval sizes with minimized error. Empirical results on ImageNet-256^2 demonstrate that BA-solver achieves generation quality comparable to 100+ NFEs Euler solver in just 10 NFEs and maintains high fidelity in as few as 5 NFEs, incurring negligible training costs. Furthermore, BA-solver ensures seamless integration with existing generative pipelines, facilitating downstream tasks such as image editing.

18.
arXiv (CS.CV) 2026-06-16

Wasserstein Equilibrium Decoding for Reliable Medical Visual Question Answering

Small vision-language models (2-8B) are well-suited for clinical deployment due to privacy constraints, limited connectivity, and low-latency requirements favouring on-device or on-premise inference. However, their limited capacity exacerbates the generation of plausible but incorrect outputs. We extend game-theoretic decoding, previously restricted to text-only, closed-ended NLP tasks, to vision-language models for open-ended Medical VQA. We introduce a semantically aware Wasserstein stopping criterion that replaces lexical order matching, enabling convergence based on semantic consensus among near-synonymous candidate answers and avoiding unnecessary iterations caused by clinically equivalent ranking swaps. On VQA-RAD and PathVQA, we obtain consistent, statistically significant improvements over greedy and discriminative baselines. On VQA-RAD, we improve Qwen3-VL-2B by +3.5 percentage points (p < 0.01), surpassing the greedy 4B model, with similar trends at larger scales. On PathVQA, Gemma-3-4B with BDG matches MedGemma-4B under greedy decoding despite no domain-specific fine-tuning. At accuracy parity with classic BDG, the Wasserstein criterion reduces average convergence iterations by approximately 20%, improving inference efficiency while preserving the game-theoretic equilibrium behaviour. Code is available at https://github.com/luca-hagen/ Wasserstein-BDG-medical-VQA.

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

ANCHOR: Error-Controlled Adaptive Numerical Correction for Neural Operator Time Marching

arXiv:2512.19643v2 Announce Type: replace Abstract: Numerical simulation of time-dependent partial differential equations (PDEs) is central to scientific and engineering applications, but high-fidelity solvers are often prohibitively expensive for long-horizon or time-critical settings. Neural operator (NO) surrogates offer fast inference across parametric and functional inputs; however, most autoregressive NO frameworks remain vulnerable to compounding errors, and ensemble-averaged metrics provide limited guarantees for individual inference trajectories. In practice, error accumulation can become unacceptable beyond the training horizon, and existing methods lack mechanisms for online monitoring or correction. To address this gap, we propose ANCHOR (Adaptive Numerical Correction for High-fidelity Operator Rollouts), an online, instance-aware hybrid inference framework for stable long-horizon prediction of nonlinear, time-dependent PDEs. ANCHOR treats a pretrained NO as the primary inference engine and adaptively couples it with a classical numerical solver using a physics-informed, residual-based error estimator. Inspired by adaptive time-stepping in numerical analysis, ANCHOR monitors an exponential moving average (EMA) of the normalized PDE residual to detect accumulating error and trigger corrective solver interventions without requiring access to ground-truth solutions. We show that the EMA-based estimator correlates strongly with the true relative L2 error, enabling data-free, instance-aware error control during inference. Evaluations on six canonical PDEs: 1D and 2D Burgers', 2D Allen-Cahn, 2D Cahn-Hilliard, 2D Navier-Stokes, and 3D heat conduction, demonstrate that ANCHOR reliably bounds long-horizon error growth, stabilizes extrapolative rollouts, and significantly improves robustness over standalone neural operators, while remaining substantially more efficient than high-fidelity numerical solvers.

20.
bioRxiv (Bioinfo) 2026-06-18

Predicting optimal growth temperatures of bacteria using learned structural information from a single protein

Temperature is a fundamental determinant of bacterial physiology and ecology. Optimal growth temperature (OGT) is highly variable across species, contributing to differences in where and when species are most likely to thrive. Although the OGTs for most bacteria remain unknown, the increasing availability of genomes from uncultivated and cultivated taxa has made it advantageous to build genomic, cultivation-independent models to infer OGT. However, pre-existing genomic models often lack the generalizability and mechanistic grounding required for robust inferences of OGT. We propose a novel framework for predicting bacterial OGT which uses learned protein structural signatures of thermal adaptation. We hypothesize that biophysical tradeoffs which dictate enzymatic functions across variable temperatures provide a more robust empirical basis for OGT prediction than broad genomic features. Our OGT-predicting model, ROSEATE, is based on a single gene, adenylate kinase (ADK), that encodes for a ubiquitous enzyme essential for energy homeostasis. ROSEATE uses high-dimensional latent space encoding via MSA Transformer, a protein language model which embeds ADKs in a manner which preserves biophysical information about embedded proteins. We show that the accuracy of the ROSEATE model is on par with other genome-based models, has a high degree of phylogenetic generalizability, and the ESM embeddings effectively capture key temperature-adaptive enzyme characteristics derived from AlphaFold structures. Because ROSEATE is based on analyses of a single ubiquitous protein, it can be used with metagenomic data to infer the community-level variation in bacterial OGTs. We demonstrate this feature of ROSEATE by reconstructing ADK sequences from over 500 environmental and host-associated metagenomes, successfully distinguishing community-wide thermal preferences across diverse habitats, from polar oceans to mammalian guts. By transitioning from genomic proxies to informationally dense protein structural features, this work provides an efficient, interpretable tool for predicting bacterial OGTs across taxa and whole communities.

21.
arXiv (CS.CL) 2026-06-15

EiCAP: Beyond Fluency, Probing and Improving Emotional Intelligence in LLMs via Psychologically Grounded Multi-Turn Dialogue

Large Language Models increasingly serve in emotionally sensitive roles, including mental health support, education, and crisis response, yet they lack a principled framework for assessing or improving Emotional Intelligence (EI). We introduce EiCAP, a unified, psychologically grounded six-layer EI taxonomy operationalized into two complementary resources. EiCAP-Bench is a multi-turn, one-vs-three forced-choice evaluation suite with 3,174 probes across 24 subcategories and cross-turn dependencies that reflect real conversational EI demands. EiCAP-SFT is a 152,820-dialogue supervision corpus aligned to the same taxonomy, enabling controlled, interpretable fine-tuning. Two key findings emerge. First, generic conversational supervised fine-tuning does not confer EI: fine-tuning on UltraChat yields no significant gain in any of the 24 subcategories, with a macro score of 24.6%, near the chance level of 25%. Second, applying EI-grounded LoRA, using approximately 0.8% of parameters, directly to Qwen-2.5-7B-Base achieves significant gains in all 24 subcategories, reaching a macro score of 75.33%, a gain of 51.7 percentage points over Base and 37.1 percentage points over Instruct. Crucially, an ablation shows that the UltraChat pre-stage is counterproductive, reducing performance by 21.4 percentage points: direct EI-grounded training is both necessary and sufficient.

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

Scaling Human and G2P Supervision for Robust Phonetic Transcription

Expert phonetic annotation is costly, especially for non-standard dialects and atypical speech. A common alternative is using Grapheme-to-Phoneme (G2P) models to auto-generate phonetic labels from text transcripts at scale. We study how automatic phonetic transcription performance scales with human and G2P supervision in English. Using a curated 80-hour benchmark spanning native, non-native and post-stroke speech, we identify a supervision quality threshold: G2P supervision helps only when fewer than 20-30 hours of human annotation are available. Beyond this threshold, it provides no significant benefit and can reduce cross-dialect robustness. What is effective after this threshold is ASR pretraining which we use to achieve a 2.3x reduction in weighted phone feature error rate over prior systems, with strong gains on non-native and aphasic speech. These results suggest that quantity-driven G2P scaling may yield diminishing returns for robust generalization.

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

MultiMolecule: a modular ecosystem for biomolecular sequence-model workflows

Authors:

arXiv:2606.16540v1 Announce Type: cross Abstract: Biomolecular sequence models are increasingly reused outside the studies in which they were introduced, but public checkpoints rarely preserve the execution context needed to inspect source-defined behavior, adapt models to new assays, compare models under shared task definitions or deploy biological predictions. MultiMolecule is an open-source Python ecosystem that turns heterogeneous RNA, DNA and protein sequence-model releases into complete, source-checked model-family implementations with shared loading, workflow and prediction interfaces. The Resource state reported here includes 53 complete model-family implementations with 112 standardized model checkpoints, together with 16 curated dataset resources released through 39 public dataset repositories and 10 user-facing prediction pipelines. Standardized components are linked to source provenance, conversion or preparation code, source-reference checks, Extended Data summaries and public documentation, allowing users to inspect what was standardized, what behavior was checked and how each component enters training, evaluation, inference or deployment. By shifting reuse from repository-specific checkpoints to executable implementations connected to standardized checkpoints, curated datasets, Runner workflows and biological prediction pipelines, MultiMolecule provides common infrastructure for preserving source-defined model behavior, adapting models to new assays, enabling controlled evaluation and deploying biomolecular predictions.

24.
arXiv (CS.LG) 2026-06-18

DIPHINE: Diffusion-based $\Phi$-ID Neural Estimator

arXiv:2606.18997v1 Announce Type: new Abstract: Uncovering the true informational architecture of real-world complex systems requires disentangling how their components uniquely store, redundantly share, and synergistically integrate information over time. Integrated Information Decomposition ($\Phi$ID) is a framework for decomposing the information dynamics of multivariate systems into sixteen non-overlapping atoms that characterize redundant, unique, and synergistic modes of information storage, transfer, and integration. Existing methods to compute $\Phi$ID are restricted to Gaussian or discrete systems, preventing its application to continuous non-Gaussian dynamical systems. We address this limitation by proposing DIPHINE (Diffusion-based $\Phi$-ID Neural Estimator), the first neural estimator that leverages score-based diffusion models to jointly estimate all the mutual information terms required by $\Phi$ID from a single amortized network, recovering the sixteen atoms through Möbius inversion. We provide a theoretical analysis of error propagation through the inversion, showing that the Jacobian of the mapping from mutual informations to atoms is integer-valued and that the synergy-to-synergy atom is provably the hardest to estimate. We demonstrate accurate recovery of ground-truth atoms on synthetic benchmarks, superior performance compared to established mutual information estimators, and the ability to extract physiologically interpretable information-dynamic structure on an application involving real data without any distributional assumptions.

25.
arXiv (CS.AI) 2026-06-24

Disentangling Aleatoric and Epistemic Uncertainty in Physics-Informed Neural Networks. Application to Insulation Material Degradation Prognostics

arXiv:2601.03673v2 Announce Type: replace-cross Abstract: Physics-Informed Neural Networks (PINNs) provide a framework for integrating physical laws with data. However, their application to Prognostics and Health Management (PHM) remains constrained by the limited uncertainty quantification (UQ) capabilities. Most existing PINN-based prognostics approaches are deterministic or account only for epistemic uncertainty, limiting their suitability for risk-aware decision-making. This work introduces a heteroscedastic Bayesian Physics-Informed Neural Network (B-PINN) framework that jointly models epistemic and aleatoric uncertainty, yielding full predictive posteriors for spatiotemporal insulation material ageing estimation. The approach integrates Bayesian Neural Networks (BNNs) with physics-based residual enforcement and prior distributions, enabling probabilistic inference within a physics-informed learning architecture. The framework is evaluated on transformer insulation ageing application, validated with a finite-element thermal model and field measurements from a solar power plant, and benchmarked against deterministic PINNs, dropout-based PINNs (d-PINNs), and alternative B-PINN variants. Results show that the proposed B-PINN provides improved predictive accuracy and better-calibrated uncertainty estimates than competing approaches. A systematic sensitivity study further analyzes the impact of boundary-condition, initial-condition, and residual sampling strategies on accuracy, calibration, and generalization, and the influence of measurement noise on aleatoric uncertainty. Overall, the findings highlight the capability of Bayesian physics-informed learning to support uncertainty-aware prognostics and informed decision-making in transformer asset management by tracking aleatoric and epistemic sources of uncertainty.