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01.
arXiv (CS.AI) 2026-06-11

Time-Series Foundation Model Embeddings for Remaining Useful Life Estimation

arXiv:2606.11990v1 Announce Type: cross Abstract: Remaining Useful Life (RUL) prediction is essential for industrial predictive maintenance, yet many learning-based approaches rely on extensive feature engineering or large labeled datasets to train task-specific sequence models. In this work, we introduce a lightweight learning approach, in which we leverage a frozen pretrained time-series foundation model (TSFM) and combine it with a small regression head for RUL estimation from multivariate sensor streams. More specifically, we use Chronos-2 as a frozen backbone to extract context window features and train a lightweight regression neural network for RUL prediction. Experiments on real-world industrial sensor data from two device types show that Chronos-2 features consistently improve over recurrent, convolutional, Transformer-based, and gradient-boosting baselines under the same preprocessing and evaluation protocol. We further analyze the impact of context length and find that performance improves significantly with longer histories, indicating that TSFM representation offer a practical and data-efficient alternative for RUL estimation in industrial settings.

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

A Unifying Lens on Reward Uncertainty in RLHF

Reinforcement learning from human feedback (RLHF) is bottlenecked by reward hacking, where the policy exploits errors in a proxy reward model (RM) and produces high RM scores without genuine quality gains. A natural mitigation is pessimism: lowering rewards in regions where the RM is uncertain. However, standard scalar RMs provide no principled notion of uncertainty. We argue that the right object is a distributional reward model $p(r\mid x,y)$. Under either a Bayesian inference or a KL-distributionally robust optimization (KL-DRO) lens, the KL-regularized RLHF objective admits a closed-form effective reward $\tilde r(x,y) = \pm\beta\log\mathbb{E}_p[e^{\pm r/\beta}]$. The pessimistic branch unifies the prior heuristics for RM ensemble aggregation: mean aggregation, worst-case optimization (WCO), and uncertainty-weighted optimization (UWO) all emerge as limits or truncations of this single expression. This also clarifies the implicit assumptions of each existing rule.

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

Provable Recovery of Locally Important Signed Features and Interactions from Random Forest

arXiv:2512.11081v2 Announce Type: replace-cross Abstract: Feature and Interaction Importance (FII) methods are essential in supervised learning for assessing the relevance of input variables and their interactions in complex prediction models. In many domains, such as personalized medicine, local interpretations for individual predictions are often required, rather than global scores summarizing overall feature importance. Random Forests (RFs) are widely used in these settings, and existing interpretability methods typically exploit tree structures and split statistics to provide model-specific insights. However, theoretical understanding of local FII methods for RF remains limited, making it unclear how to interpret high importance scores for individual predictions. We propose a novel, local, model-specific FII method that identifies frequent co-occurrences of features along decision paths, combining global patterns with those observed on paths specific to a given test point. We prove that our method consistently recovers the true local signal features and their interactions under a Locally Spike Sparse (LSS) model and also identifies whether large or small feature values drive a prediction. We illustrate the usefulness of our method and theoretical results through simulation studies and a real-world data example.

04.
arXiv (CS.AI) 2026-06-11

LSTM-Based Detection of Structural Breaks in Property Insurance Loss Reserving: A Climate-Informed Approach

arXiv:2606.11463v1 Announce Type: cross Abstract: Accurate loss reserving is foundational to insurer solvency, yet accelerating climate driven catastrophes systematically violate the stability assumptions on which traditional actuarial methods depend. This white paper presents a research program testing whether Long Short Term Memory (LSTM) neural networks can detect and adapt to these structural breaks faster and more accurately than Chain Ladder, Bornhuetter Ferguson, and Cape Cod methods. Using 15 plus years of regulatory development triangle data from Florida and Louisiana, enriched with NOAA hurricane intensity indices and sea surface temperatures, we hypothesize a targeted improvement of 15, 20% in reserve accuracy for catastrophe exposed years, a threshold grounded both in the prior neural network reserving literature and in the formal convergence results developed here. Beyond empirical validation, we develop a theoretical framework grounding LSTM structural break detection in probabilistic terms, providing formal performance guarantees that compensate for the limited number of catastrophe events in the test period. We document the research design, methodology, expected contributions, and a candid assessment of limitations.

05.
arXiv (quant-ph) 2026-06-15

Probing Many-Body Phenomena with Atomically Thin Nuclear Spin Layers in Diamond

arXiv:2510.27374v2 Announce Type: replace Abstract: Quantum simulation aims to recreate complex many-body phenomena in controlled environments, offering insights into dynamics that are otherwise difficult to model. Existing platforms, however, are often complex and costly to scale, typically requiring ultra pure vacuum or low temperatures. Here, we introduce a platform based on a thin, strongly interacting ${}^{13}C$ nuclear spin layer in diamond that allows controlled exploration of many-body dynamics at room temperature. Nearby nitrogen-vacancy centers enable polarization, readout, and, combined with radio-frequency fields, coherent control of the nuclear spins. We demonstrate strong, tunable interactions among the nuclear spins and use the system to probe discrete time-crystalline order across varying interaction ranges. By combining ease of use with operation at ambient temperatures, our work opens new opportunities for investigating strongly correlated many-body effects.

06.
arXiv (CS.AI) 2026-06-15

Learning Coordinated Preference for Multi-Objective Multi-Agent Reinforcement Learning

arXiv:2606.14693v1 Announce Type: cross Abstract: Cooperative multi-objective multi-agent reinforcement learning (MOMARL) models team decision making under multiple, potentially conflicting objectives. In this setting, conflicts arise not only across objectives but also across agents with different observations, roles, and contributions. We propose Preference Coordinated Multi-agent Policy Optimization (PCMA), which learns coordinated agent-specific preferences to enable complementary trade-offs among agents. Theoretically, we formulate cooperative MOMARL as a team-optimal game and show that, under suitable conditions, preference diversity can induce team improvement through a first-order improvement decomposition. Experiments on multiple cooperative MOMA environments and a practical traffic-control scenario show that PCMA improves both performance and trade-off coordination.

07.
arXiv (CS.AI) 2026-06-19

Advancing DialNav through Automatic Embodied Dialog Augmentation

arXiv:2606.19948v1 Announce Type: new Abstract: For embodied agents capable of physical interaction, the capability to create and understand dialog is crucial to ensure both safety and effectiveness. While DialNav[han2025dialnav] provides a framework for holistic evaluation of the dialog–execution loop in photorealistic indoor navigation, its performance remains limited by a critical scarcity of training data (2K episodes). To address this, we propose an automatic generation pipeline, and construct the RAINbow dataset, a large-scale training dataset with 238K episodes for DialNav. Our pipeline converts existing VLN datasets into multi-turn dialog and creates cost-efficient and high-quality dataset. Then, we introduce two additional complementary advances to unlock the data's full potential: (1) Dual-Strategy Training, a navigation training scheme to align the navigation training with the dynamic dialog-navigation loop, and (2) a localization model that leverages VLN knowledge. By combining these complementary solutions, our model substantially outperforms the baseline in success rate on both Val Seen (58.24, +89\%) and Val Unseen (29.05, +100\%) splits, establishing a new state of the art.

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

Source-Grounded Data Generation for Text-to-JSON Learning

From financial filings to clinical records, legacy industries rely heavily on long, unstructured documents to store high-value information. Reliably extracting this information into structured, machine-readable representations is a key prerequisite to making the contents accessible to automated systems. JSON is a natural target for such structured extraction, yet constructing reliable and scalable text-to-JSON training data remains challenging. To address this gap, we propose STAGE (Spreadsheet-grounded Text-to-JSON Artifact GEneration), a source-grounded data generation pipeline that constructs reports and JSON schema by using LLMs for scalable synthesis while validating ground-truth values against the underlying spreadsheet. Evaluations on STAGE-Eval, our source-grounded benchmark with an 851-example test set, show that STAGE produces stronger training data than existing approaches. This improves Qwen3-4B exact match from 31.37% to 74.27% and value accuracy from 45.46% to 90.69%.

09.
medRxiv (Medicine) 2026-06-22

Generative Artificial Intelligence in Psychotherapy Practice: A Global Online Survey of Mental Health Professionals' Adoption

Background: Generative artificial intelligence (GenAI) tools, including large language model (LLM)-based platforms such as ChatGPT, Google Gemini, and Microsoft Copilot, are being adopted across healthcare settings with increasing speed. Despite the increasing popularity of GenAI, empirical data on the extent and nature of adoption by mental health clinicians in routine psychotherapy practice globally remain scarce. Objective: This study aimed to characterize current use patterns of GenAI tools among a global sample of practicing mental health professionals, including prevalence of use, specific tools employed, clinical and administrative purposes served, perceived effect on workload, and the institutional context shaping adoption (e.g., encouragement, prohibition, and training). Methods: We administered a cross-sectional online survey to a global convenience sample of licensed mental health professionals who provide psychotherapy as part of the scope of their practice (i.e., psychotherapists, psychologists, counsellors, nurses, and psychiatrists). Participants were recruited via professional networks, purposely avoiding the use of social media platforms. Within the survey, we captured GenAI use behaviors in psychotherapy contexts, and demographic and professional background data. Descriptive statistics were analyzed for all variables. Multivariate logistic regression was used to examine demographic and professional predictors of GenAI use. Results: A total of 766 mental health professionals who provide psychotherapy from 30 countries completed the survey. Of these, 54.6% (n=418) reported having purposely used at least one GenAI tool in psychotherapy clinical practice. ChatGPT was the most frequently used tool (354/418, 84.7%). The most commonly reported clinical purpose was assisting with treatment planning (175/418, 41.9%), followed by managing administrative tasks (173/418, 41.4%) and generating psychoeducational materials for clients (166/418, 39.7%). 82.8% of AI users reported that these tools reduced their overall work burden. Only 18.1% (139/766) of respondents reported institutional encouragement to use AI tools, while 81.1% (621/766) reported not having received any professional training on AI use. Predictors of AI adoption included younger age and rural practice setting. Conclusions: In this global convenience sample survey, GenAI use among mental health professionals in psychotherapy settings is widespread, concentrated in a wide variety of clinical and administrative tasks. Formal training and institutional guidance substantially lag behind current adoption patterns. These findings highlight an urgent need for evidence-based competency frameworks, regulatory clarity, and professional education to support safe and ethically informed integration of AI into clinical mental health practice.

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

Token Reduction Should Go Beyond Efficiency in Generative Models – From Vision, Language to Multimodality

arXiv:2505.18227v4 Announce Type: replace-cross Abstract: In Transformer architectures, tokens\textemdash discrete units derived from raw data\textemdash are formed by segmenting inputs into fixed-length chunks. Each token is then mapped to an embedding, enabling parallel attention computations while preserving the input's essential information. Due to the quadratic computational complexity of transformer self-attention mechanisms, token reduction has primarily been used as an efficiency strategy. This is especially true in single vision and language domains, where it helps balance computational costs, memory usage, and inference latency. Despite these advances, this paper argues that token reduction should transcend its traditional efficiency-oriented role in the era of large generative models. Instead, we position it as a fundamental principle in generative modeling, critically influencing both model architecture and broader applications. Specifically, we contend that across vision, language, and multimodal systems, token reduction can: (i) facilitate deeper multimodal integration and alignment, (ii) mitigate "overthinking" and hallucinations, (iii) maintain coherence over long inputs, and (iv) enhance training stability, etc. We reframe token reduction as more than an efficiency measure. By doing so, we outline promising future directions, including algorithm design, reinforcement learning-guided token reduction, token optimization for in-context learning, agentic framework design, and broader ML and scientific domains.

11.
arXiv (CS.LG) 2026-06-18

A physical adaptive material motor unit neural network: a hygromorph composite material machine

arXiv:2606.18275v1 Announce Type: cross Abstract: Advances in novel materials science enable structures to function as intelligent machines by embedding memory and learning capabilities directly into materials. Our work introduces a physical adaptive material motor unit neural network,leveraging a new generation of controllable actuators composed of wood- and carbon black-based composites, sensitive to temperature and relative humidity. These material actuators are assembled into a motor unit-like structure inspired by muscle contraction trigger, forming an intelligent machine capable of dynamic shading control that can be used, for example, in buildings. The machine is governed by a neural network trained on over 350 experimental data points collected under diverse environmental conditions. By establishing a new data-aware backpropagation training, we show that the machine predicts shading responses and learns to predict appropriate behaviour incrementally as the database expands. We also demonstrate the ability of the machine to optimise configurations to achieve similar shading outputs under two distinct conditions.

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

Single-Round Clustered Federated Learning via Data Collaboration Analysis for Non-IID Data

arXiv:2601.09304v2 Announce Type: replace Abstract: Federated Learning (FL) enables distributed learning across multiple clients without sharing raw data. When statistical heterogeneity across clients is severe, Clustered Federated Learning (CFL) can im-prove performance by grouping similar clients and training cluster-wise models. However, most CFL approaches rely on multiple communication rounds for cluster estimation and model updates, which limits their practicality under tight constraints on communication rounds. We propose Data Collaboration-based Clustered Federated Learning (DC-CFL), a single-round framework that completes both client clustering and cluster-wise learning, using only the information shared in DC analysis. DC-CFL quantifies inter-client similarity via total variation distance between label distributions, estimates clusters using hierarchical clustering, and performs cluster-wise learning via DC analysis. Experiments on multiple open datasets under representative non-IID conditions show that DC-CFL achieves accuracy comparable to multi-round baselines while requiring only one communication round. These results indicate that DC-CFL is a practical alternative for collaborative AI model development when multiple communication rounds are impractical. Our source code is publicly available at https://github.com/souta-suga/DC-CFL.

13.
arXiv (CS.AI) 2026-06-19

CTS-MoE: Implicit Terrain Adaptation via Mixture-of-Experts for Perceptive Locomotion

arXiv:2606.19633v1 Announce Type: cross Abstract: Perceptive legged locomotion over discontinuous terrain (e.g., stairs, gaps, and obstacles) requires adaptive behavior, as a single conservative gait cannot produce the anticipatory maneuvers needed for abrupt topology changes. Cast as multi-task reinforcement learning, this problem introduces a tension between sharing and separation. Tasks use a common locomotion base but have conflicting rewards, so a policy must share behavior while avoiding value interference. Prior work addresses only one side, with monolithic policies sacrificing specialization and hierarchical sub-policies sacrificing generalization across transitions and unseen terrain. We propose CTS-MoE, which combines a dense mixture-of-experts actor with perception-based gating to compose shared behaviors and a multi-critic with task-specific value heads to prevent interference. The model is trained end-to-end in a single-stage concurrent teacher-student setup that handles partial observability and avoids sequential distillation, with task labels used only during training. At deployment, routing depends solely on perception, allowing terrain adaptation without a high-level selector or terrain classifier. Experiments on a Unitree Go1 in simulation and on hardware across seen and unseen terrains show task-aware specialization, with lower tracking error and higher success rates than monolithic baselines. Project Website: https://cts-moe.github.io/ .

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

Direct Preference Optimization for Chatbot Fine-Tuning: An Empirical Study

We present an approach to fine-tuning large language models using Direct Preference Optimization (DPO), a reinforcement learning technique. Our experimental results demonstrate that DPO simplifies the training pipeline, improves computational efficiency, and achieves competitive performance. The evaluation using BLEU, ROUGE, and cosine similarity metrics indicates effective learning and convergence, though further investigation is needed to address observed training instability.

15.
bioRxiv (Bioinfo) 2026-06-16

Physics-Driven Zero-Shot Reconstruction of Isotropic 3D Fluorescence Microscopy under Undersampled Acquisition

Three-dimensional (3D) imaging represents the development of next generation of fluorescence microscopy. However, routine axial down-sampling makes isotropic resolution unrealistic. Here, we propose DeepUI, a physical zero-shot framework designed to achieve isotropic 3D fluorescence images from a low axial sampling rate. DeepUI fully leverages the intrinsic characteristics of 3D images through physics-guided degradation, which incorporates spatial-frequency joint learning to generate a scaled optical transfer function, combined with noise degradation and an up-sampling branch. Typically requiring just 5 minutes for training and 0.5 minutes for high-throughput and fast prediction, we demonstrate the superior performance of DeepUI to get isotropic results, and the exclusivity to axial down-sampling conditions, even in more challenging conditions, including defocused background, noise, and resolution blur.

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

The Autonomy Tax: Defense Training Breaks LLM Agents

arXiv:2603.19423v2 Announce Type: replace-cross Abstract: Large language model (LLM) agents increasingly rely on external tools (file operations, API calls, database transactions) to autonomously complete complex multi-step tasks. Practitioners deploy defense-trained models to protect against prompt injection attacks that manipulate agent behavior through malicious observations or retrieved content. We reveal a fundamental capability-alignment paradox: defense training designed to improve safety systematically destroys agent competence while failing to prevent sophisticated attacks. Evaluating defended models against undefended baselines across 97 agent tasks and 1,000 adversarial prompts, we uncover three systematic biases unique to multi-step agents. Agent incompetence bias manifests as immediate tool execution breakdown, with models refusing or generating invalid actions on benign tasks before observing any external content. Cascade amplification bias causes early failures to propagate through retry loops, pushing defended models to timeout on 99\% of tasks compared to 13\% for baselines. Trigger bias leads to paradoxical security degradation where defended models perform worse than undefended baselines while straightforward attacks bypass defenses at high rates. Root cause analysis reveals these biases stem from shortcut learning: models overfit to surface attack patterns rather than semantic threat understanding, evidenced by extreme variance in defense effectiveness across attack categories. Our findings demonstrate that current defense paradigms optimize for single-turn refusal benchmarks while rendering multi-step agents fundamentally unreliable, necessitating new approaches that preserve tool execution competence under adversarial conditions.

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

LM-SPT: LM-Aligned Semantic Distillation for Speech Tokenization

With the rapid progress of speech language models (SLMs), discrete speech tokens have emerged as a core interface between speech and text, enabling unified modeling across modalities. Recent speech tokenization approaches aim to isolate semantic information from low-level acoustics to better align with language models (LMs). In particular, previous methods use self-supervised learning (SSL) teachers such as HuBERT to extract semantic representations, which are then distilled into a semantic quantizer to suppress acoustic redundancy as well as capture content-related latent structures. However, these tokenizers often operate at relatively high frame rates, producing token sequences significantly longer than their textual counterparts and hindering seamless integration with pretrained LMs. Although recent methods attempt to reduce the token rate by applying uniform average pooling to SSL features, this can over-smooth content-bearing regions and dilute the structural information, thereby potentially limiting the LM alignment. To address this, we propose LM-SPT, an LM-aligned speech tokenization method based on semantic speech-resynthesis distillation. Instead of directly matching teacher and student features via pooling, LM-SPT resynthesizes speech from semantic tokens only and minimizes the discrepancy between representations extracted from the original and resynthesized waveforms using a frozen, LM-aligned speech encoder. This indirect supervision avoids rigid temporal alignment and encourages dedicated semantic units that are more semantically aligned with LMs under reduced frame rates. Experimental results show that the proposed LM-SPT consistently outperforms previous semantic-enhanced speech tokenizers when applied to SLMs for the tasks of automatic speech recognition and text-to-speech, even without compromising the speech reconstruction fidelity at the codec level.

19.
arXiv (quant-ph) 2026-06-11

A semi-definite programming formulation of the device-dependent guessing probability

arXiv:2606.12079v1 Announce Type: new Abstract: In quantum mechanics, a measurement applied to a state in general produces some amount of intrinsic randomness. This is not only a fundamental feature of the theory, but is also at the basis of any quantum process to generate random numbers. The simplest of such processes consists of a single, fully charaterized, measurement acting on a single, fully characterized, state. Unfortunately, no general method to estimate the intrinsic randomness produced in such setups is known. In this work, we address this issue by presenting a semidefinite programming formulation of the maximum probability with which an adversary, Eve, can guess the outcomes of characterized but untrusted prepare-and-measure setups. We then present several applications of this construction. First, we apply our method to a variety of specific setups, allowing us both to benchmark the approach and, more importantly, to determine the exact amount of certifiable randomness in scenarios where only upper bounds were previously available. Then, we show that the presence of entanglement between the device preparing the state and the measurement strictly increases Eve's predictive power, already in the most elementary setup of a binary measurement acting on a qubit state.

20.
bioRxiv (Bioinfo) 2026-06-16

DynamicDemiLog: A Single Sketch for Ultrafast Similarity, Frequency, and Cardinality Estimation

Probabilistic cardinality estimators (HyperLogLog), similarity sketches (MinHash), and frequency estimators (Count-Min Sketch) are fundamental approximate data structures that each target one primary problem. We present DynamicDemiLog (DDL), a sketch that unifies cardinality estimation, set similarity, containment, element frequency and composition in one tiny data structure built from a single pass over the input stream. Using an inverted index over 200,687 RefSeq sketches (159,567 organisms), DDL performs all-to-all sketch similarity comparison of the full database in 30 seconds (128 threads, indexed) - over 375x faster per query than Mash's brute-force all-to-all comparison of 91,282 sketches, or 31x faster without the index, at double the sketch resolution. DDL extends the LogLog register with a mantissa: each register stores a floating-point-encoded hash value consisting of an integer exponent (the leading-zero count) and a fractional mantissa (the sub-leading-zero bits), rather than the integer leading-zero count alone. This preserves enough hash information for meaningful register-by-register comparison - a property that standard 6-bit registers lack - while improving on LogLog's cardinality estimation machinery, including DynamicLogLog's early exit mask for high-throughput streaming. With a default 10 mantissa bits (16-bit registers, 2,048 buckets, 4 KB), DDL achieves a per-register false-match rate of 0.018% on unrelated random same-size sets (compared to 17.0% for LL6, a basic HyperLogLog implementation), enabling Weighted Kmer Identity (WKID), Average Nucleotide Identity (ANI), containment, and completeness estimation from register comparison alone. A 16-bit per-register observation counter provides element frequency information at trivial additional computation cost, and an additional byte tracks element composition (GC content, for biological data). Furthermore, DDL's high-specificity registers enable an inverted index structure (DDLIndex) that answers similarity queries against a database of N sketches in O(B + M) time, where M is the number of matching index entries, compared to O(NxB) for pairwise comparison.

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

DriveReward: A Comprehensive Dataset and Generative Vision-Language Reward Model for Autonomous Driving

Reward models play a pivotal role in reinforcement learning (RL) and multi-modal trajectory selection for autonomous driving. However, acquiring such rewards typically relies on hand-crafted rule-based objectives or perception ground truth, which hinders generalization for data-scaling. While Vision-Language Models (VLMs) have demonstrated feasibility as reward models in other domains, their effectiveness in driving tasks remains underexplored. In this work, we bridge this gap by (1) introducing DriveReward, a reasoning trajectory evaluation dataset rigorously labeled via temporally-grounded visual guidance, and augmented with counterfactual driving behaviors., (2) alongside a specialized Vision-Language Reward Model. To address the scarcity of failure cases in conventional datasets, we propose a counterfactual data annotation scheme to construct cases encompassing diverse driving styles and erroneous behaviors. Evaluations on our proposed benchmark reveal that even leading open-source and proprietary VLMs fail to excel across all tasks, highlighting significant room for improvement in existing models. Building on these findings, we subsequently tailor a specialized 1B reward model that outperforms larger VLMs on task-specific reward alignment. Finally, we validate our reward model's effectiveness by integrating it into RL finetuning and multi-modal trajectory scoring across multiple baselines, achieving performance comparable to rule-based reward calculations in both open-loop and closed-loop evaluation.

22.
arXiv (CS.CV) 2026-06-11

Higher order PCA-like rotation-invariant features for detailed shape descriptors modulo rotation

作者:

PCA can be used for rotation invariant features, describing a shape with its $p_{ab}=E[(x_i-E[x_a])(x_b-E[x_b])]$ covariance matrix approximating shape by ellipsoid, allowing for rotation invariants like its traces of powers. However, real shapes are usually much more complicated, hence there is proposed its extension to e.g. $p_{abc}=E[(x_a-E[x_a])(x_b-E[x_b])(x_c-E[x_c])]$ order-3 or higher tensors describing central moments, or polynomial times Gaussian allowing decodable shape descriptors of arbitrarily high accuracy, and their analogous rotation invariants. Its practical applications could be rotation-invariant features to include shape modulo rotation e.g. for molecular shape descriptors, or for up to rotation object recognition in 2D images/3D scans maybe also for 3D scene understanding, or shape similarity metric allowing inexpensive comparison of objects modulo rotation avoiding costly optimization over rotations.

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

MultiMolecule: a modular ecosystem for biomolecular sequence-model workflows

作者:

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.
Nature (Science) 2026-06-22

C-glycoside synthesis via radical cross-coupling of glycohydrazides

作者:

Carbohydrates are among the most abundant and structurally diverse biomolecules in nature, playing central roles in energy storage, molecular recognition, and cell signaling. Within this domain, C-glycosides1-3, in which the oxygen atom of the glycosidic bond in O-glycosides is replaced by carbon, have emerged as valuable motifs in medicinal chemistry due to their resistance to enzymatic hydrolysis2,4. Of particular importance are C-aryl glycosides, exemplified by the SGLT2 inhibitors dapagliflozin, canagliflozin, and empagliflozin, which are frontline therapies for type 2 diabetes5-7. However, scalable syntheses of C-aryl glycosides have traditionally relied on protected sugar derivatives, lengthy sequences, or conventional cross-couplings that often suffer from poor selectivity, limited scope, and extensive protecting-group manipulation6. Herein, we report a practical approach to C-aryl glycosides using glycosyl sulfonyl hydrazides as redox-neutral radical precursors for cross-coupling. Prepared directly from unprotected native sugars, these reagents generate glycosyl radicals under mild conditions and enable efficient access to diverse C-aryl glycosides, including all approved SGLT2 inhibitors, natural products such as salmochelins and neopetrosins, and medicinally relevant probes. Beyond anomeric functionalization, this platform enables C–C bond formation at multiple positions on carbohydrate scaffolds and supports stereoretentive radical coupling that can override inherent stereochemical biases, expanding practical access to carbohydrate-derived therapeutics and chemical tools.

25.
arXiv (quant-ph) 2026-06-15

Gaussian mode coupling of spectrally broadband photons from bulk spontaneous parametric down-conversion: A spatial-spectral mode analysis of fiber coupling

arXiv:2602.23238v2 Announce Type: replace Abstract: Photon sources based on spontaneous parametric down-conversion (SPDC) are central to experimental quantum optics and quantum technologies. Their performance is commonly quantified by three metrics: pair-collection probability, heralding efficiency, and spectral purity. In bulk-crystal SPDC, these metrics are known to be mutually constrained, yet the physical origin of the resulting trade-offs is often obscured. We show that these trade-offs originate from the frequency-dependent population of discrete spatial modes in the SPDC emission. By performing a Laguerre-Gauss mode decomposition at each frequency component, we show how spectral-spatial non-separability impacts collection probability, heralding efficiency, and purity. We apply this framework to two widely used quasi-phase-matching configurations: collinear degenerate type-0 and type-II SPDC in periodically poled bulk crystals, and quantify how different phase-matching functions shape the spectral-spatial mode structure. In particular, for type-II SPDC we compare standard periodically poled and aperiodically poled Gaussian phase matching. We experimentally validate some of our theoretical results using spatial- and spectral-projection measurements. This spectral-spatial mode analysis provides a quantitative and predictive framework for understanding and engineering bulk-crystal photon sources, enabling systematic multi-parameter optimization beyond qualitative design guidelines.