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01.
arXiv (CS.LG) 2026-06-25

Frequency Domain Reservoir Computing

arXiv:2606.24969v1 Announce Type: new Abstract: While the quadratic sequence-length bottleneck of transformers has fueled a resurgence in recurrent models, effectively capturing complex dynamics requires architectures that balance efficient training with highly expressive latent states. Echo State Networks (ESNs) offer a compelling approach by utilizing fixed recurrent weights to circumvent backpropagation through time, enabling a closed-form training solution. However, achieving the expressivity needed for complex tasks demands large reservoirs, exposing an $\mathcal{O}(N^2)$ state-update bottleneck that prevents ESNs from matching the scale of contemporary recurrent models. To address this limitation, we introduce Frequency Domain Reservoir Computing (FRESCO), an ESN architecture operating entirely in the frequency domain while avoiding domain-shift overheads to achieve $\mathcal{O}(N)$ complexity for dense, non-linear recurrent updates. By employing a novel dimensional zero-padding input embedding, a packed \operatorname{FD}h readout, and a natively applied frequency-domain non-linearity, FRESCO drastically reduces computational costs and energy consumption of training and inference. Furthermore, FRESCO matches the state-of-the-art predictive performance on memory benchmarks, sequential classification, and multivariate long-horizon forecasting, offering a scalable path forward for dense recurrent architectures.

02.
arXiv (CS.AI) 2026-06-16

CRC-Screen: Certified DNA-Synthesis Hazard Screening Under Taxonomic Shift

作者:

arXiv:2605.00074v2 Announce Type: replace-cross Abstract: DNA-synthesis providers screen incoming orders by searching the requested sequence against curated hazard lists. We show that this baseline collapses to a 100% false-flag rate when the hazardous sequence comes from a taxonomic family absent from the reference set: under Conformal Risk Control's certified miss-rate constraint, a low-discrimination signal forces the threshold below the entire test-benign mass. We compose three signals derived from a synthesis order's public annotation: $k$-mer Jaccard similarity to known toxins, the trimmed-mean score of a five-LLM judge panel, and cosine similarity to clustered embedding centroids. Fused under a monotone logistic aggregator and calibrated by Conformal Risk Control, the resulting screener certifies $\mathbb{E}[\mathrm{FNR}] \le \alpha + \mathrm{TV}$, where the additive term is the calibration-to-test distribution shift under family holdout (a certified ceiling of 24-49% across folds). Across ten leave-one-taxonomic-family-out folds at $\alpha=0.05$ on UniProt KW-0800 reviewed toxins, the calibrated screener achieves 0% empirical test miss rate on every fold and 0% test false-flag rate on nine of ten folds. The bound's finite-sample slack $1/(n_{\mathrm{cal}}+1)$ caps the certifiable miss rate at 1.77% on our 200-hazard subsample; reaching procurement-grade $\alpha=10^{-3}$ requires an $18\times$ larger calibration set, which the full reviewed UniProt KW-0800 corpus is large enough to deliver. The binding constraint on certifiable DNA-synthesis screening is calibration data, not algorithms. Code: https://github.com/najmulhasan-code/crc-screen

03.
bioRxiv (Bioinfo) 2026-06-16

FlowBench: separating planning, fault recovery and interpretation in agentic bioinformatics

Agentic large language model (LLM) systems are being deployed in bioinformatics faster than they are understood, and single-metric evaluations conflate capabilities that fail independently. We introduce FlowBench, a benchmark that decomposes agentic bioinformatics performance into planning, fault recovery, biological interpretation, and end-to-end output-fidelity. Existing systems achieve high plan completeness, but their closed, single-provider designs prevent attribution of performance to scaffolding versus the underlying model. We therefore built FlowAgent, a modular, provider-agnostic framework whose components can be selectively disabled and whose backbone model can be swapped across providers on a shared harness, and used it to evaluate 23 models from three main providers. Three findings emerge. First, generating a valid workflow plan from a named toolchain is largely solved, whereas inferring an appropriate toolchain from biological intent alone is uniformly difficult regardless of model tier, compressing all models into a narrow 44-57% pass-rate band. Second, ablation shows that the dependency-structured plan and a completeness-reflection step drive performance, while adding a same-context validator-driven retry makes structural quality worse. Third, fault recovery and data-grounded interpretation remain unsolved. Models frequently propose fixes that force a clean exit while leaving the underlying data invalid, and data-grounded interpretation lags internal-knowledge recall by a consistent margin. Safety does not emerge from capability, and reasoning-tier models were among the least reliable at recognising unrecoverable faults. Once planning saturates, agent architecture and refusal calibration, not model scale, are the productive frontier.

04.
arXiv (CS.AI) 2026-06-16

Sensory Restoration via Brain-Computer Interfaces: A Unified 2 x 2 Framework and Convergence Roadmap

arXiv:2606.15091v1 Announce Type: cross Abstract: Millions of individuals worldwide suffer from sensory and communication deficits caused by neurodegenerative diseases, stroke, or trauma. Brain-computer interfaces (BCIs) offer a promising avenue for sensory and motor restoration. However, the scientific literature remains highly fragmented between invasive neuroprosthetics and non-invasive electrophysiological decoders, with a lack of consistent terminology and comparison metrics. This chapter proposes a unified 2 x 2 framework categorizing BCIs along two axes: degree of invasiveness (invasive vs. non-invasive) and signal direction (afferent sensory-IN vs. efferent sensory-OUT). We define and distinguish the paradigms of restoration, substitution, and augmentation. Furthermore, we outline a structural roadmap for the convergence of these modalities over near-, medium-, and long-term horizons, focusing on physical limits and the integrative role of machine learning foundation models.

05.
arXiv (CS.CL) 2026-06-25

SpeechEQ: Benchmarking Emotional Intelligence Quotient in Socially Aware Voice Conversational Models

As multimodal conversational systems increasingly engage in spoken interaction, their ability to navigate paralinguistic social cues has become a critical bottleneck for natural human-AI communication. However, existing evaluations of machine emotional intelligence assess reasoning exclusively through isolated text or passive acoustic perception, overlooking the complex cross-modal reasoning required for active, multi-turn dialogue. We introduce \textsc{SpeechEQ}, a comprehensive framework designed to evaluate the sociolinguistic reasoning of Speech-Language Models (SLMs). The framework includes a validated dataset of 2,265 dialogues across 15 Emotional Quotient (EQ) subscales grounded in EQ-i 2.0 theory, along with a multi-turn evaluation protocol measured by our proposed Spoken EQ (SEQ) score inspired by human EQ assessments. Experiments show limitations in how both existing Speech Emotion Recognition and end-to-end Speech-Language Models understand and apply paralinguistic cues through speech. While end-to-end architectures outperform cascaded systems, \textsc{SpeechEQ} reveals that current multimodal models remain bottlenecked by a text-reliant ``modality shortcut,'' an alignment-induced ``safety trap,'' and ``contextual amnesia,'' highlighting the barriers to truly emotionally aware AI. Our benchmark can be accessed at https://huggingface.co/datasets/SpeechEQ/SpeechEQ and demo page at https://binomial14.github.io/speecheq-demo/

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

Bath memory as a precision resource in quantum transport

arXiv:2606.17026v1 Announce Type: new Abstract: Structured baths can reshape transport fluctuations in mesoscopic quantum devices, yet a predictive criterion for when this enhances precision has been lacking. We propose a route towards such precision advantages by utilizing bath memory in coherent fermionic transport through a noninteracting quantum-dot chain. Using the Landauer-Büttiker formalism, we derive a dual impedance-matching condition that synchronizes the conductor mode splitting, boundary dissipation, and bath bandwidth, and sustains constructive multimode interference across the transmission window. The analytical predictions for the optimal bath bandwidths show excellent agreement with exact nonequilibrium Green's function calculations of the transport for Lorentzian, Gaussian, and Newns spectral densities. The prescription yields an optimal bath bandwidth at which the current Fano factor is minimized and the thermodynamic and kinetic precision coefficients are simultaneously enhanced beyond their Markovian limits. The alignment of the optimal precision regime with the experimentally accessible current Fano factor minimum thus provides a practical strategy for designing precision-enhanced transport in mesoscopic platforms such as semiconductor quantum-dot arrays and ultracold fermionic channels.

07.
arXiv (quant-ph) 2026-06-19

Many-Body Protection of Topological Edge Memory in Strong Interacting Quenches

arXiv:2606.19437v1 Announce Type: cross Abstract: Quantum quenches drive edge states far from equilibrium, yet whether the memory of a topological initial state survives in a non-integrable, interacting system has remained largely unexplored. We study this question in the bond-alternating XXZ chain – an interacting Su–Schrieffer–Heeger model hosting symmetry-protected topological edge modes with markedly enhanced boundary magnetization – and analyze quenches across all combinations of single-particle and many-body initial and final Hamiltonians. The results organize by a single distinction as we rigorously establish in this work: whether the post-quench Hamiltonian is free or genuinely interacting. For a free post-quench Hamiltonian, the dynamics is solved exactly by a correlation-matrix approach; the boundary-mode return amplitude decays as $t^{-3/2}$, and initial interactions enter only through a dressed one-body density matrix. For a genuinely interacting post-quench Hamiltonian, finite-time stability bounds prove that away from local resonances the first-dimer magnetization remains stable on time windows growing as arbitrarily large powers of the inverse inter-dimer coupling. Matrix product state simulations across all four protocols show that interactions in the final Hamiltonian markedly extend finite-time boundary memory – with local suppression near the isotropic $SU(2)$ point – revealing a many-body protection mechanism in a non-integrable system where scrambling would otherwise wash out initial-state memory fast.

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

GrowLoop: Self-Evolving Conversation Evaluation Seeded by Human

With the rapid advancement of large language models, evaluating human-likeness in open-ended conversation has become increasingly important. However, human-likeness is a form of tacit knowledge that humans perceive intuitively, yet the underlying criteria resist explicit formulation. Human judgments vary widely, with strong agreement on some cases and legitimate disagreement on others. Meanwhile, the criteria behind human judgments remain implicit, leaving no clear basis for constructing cases. Further, what counts as human-likeness is not static, but evolving with model capability and human expectations. Despite progress in evaluation methods such as expert-authored benchmarks, Reward Models, and self-evolving benchmarks, none addresses all three challenges simultaneously. Therefore, we propose GrowLoop, a self-evolving conversation evaluation system that continuously adapts as models advance and scenarios shift. Starting from minimal human seed annotations, LLM agents iteratively extract and refine evaluation rubrics through Heuristic Learning. Human-AI agreement is required where annotators converge, while only plausibility is expected where they diverge. Moreover, the Rubric-Case co-evolution mechanism enables continuous evolution. When the evaluation target shifts, new human seeds expand the system's coverage accordingly. When applied to human-likeness evaluation in open-ended conversation, the AI judge guided by these rubrics not only substantially outperforms existing methods in alignment with human judgments, but also uncovers issues that annotators overlook. The resulting benchmark effectively discriminates models across capability tiers and reveals where they fall short, while generalizing to new scenarios and adapting as models advance. Our work shifts the benchmarking paradigm from manual updates or difficulty scaling to comprehensive, continuous self-evolution.

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

Comparative Study on Agility, Efficiency, and Impact Absorption of Bipedal Robots with Active Toes

arXiv:2606.19699v1 Announce Type: cross Abstract: Human legs exhibit high efficiency, agility, and impact absorption, with toes playing a crucial role in these capabilities. While many attempts have been made to implement human-like toes in robots, they have not fully replicated human characteristics nor rigorously validated their benefits. We propose a 14-DOF biped robot emulating human toes' lightweight, high-torque, robust nature. To quantitatively analyze the effectiveness of the active toes in terms of agility, efficiency, and impact absorption, we developed a high-fidelity simulation training environment that reflects actual actuators with coupled transmissions and accurate power consumption. To ensure a fair comparison between configurations with and without active toes, we designed a minimal RL reward function and applied an identical training procedure to both. The simulation results indicate that, at 1.33 m/s walking, the toe-equipped robot reduced CoT by 17.5% and heel-strike GRF by 5.0% compared with the toe-ablation configuration. On the agility test, average and maximum path deviation decreased by 25.0% and 34.0%, respectively.

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

Geometry-Preserving Encoder/Decoder in Latent Generative Models

arXiv:2501.09876v4 Announce Type: replace-cross Abstract: Generative modeling aims to generate new data samples that resemble a given dataset. When using diffusion models for this task, one of the main challenges is solving the problem in the input space, which tends to be very high-dimensional. To address this, recent approaches solve diffusion models in the latent space through an encoder that maps from the data space to a lower-dimensional latent space, improving training efficiency and achieving state-of-the-art results. The variational autoencoder (VAE) is the most commonly used encoder/decoder framework in this domain, known for its ability to learn latent representations and generate data samples. In this paper, we introduce a novel encoder/decoder framework with theoretical properties distinct from those of the VAE, specifically designed to preserve the geometric structure of the data distribution. We demonstrate the significant advantages of this geometry-preserving encoder in the training process of both the encoder and decoder. Additionally, we provide theoretical results proving convergence of the training process, including convergence guarantees for encoder training, and results showing faster convergence of decoder training when using the geometry-preserving encoder.

11.
arXiv (CS.CL) 2026-06-25

Weave of Formal Thought

Large language models (LLMs) attain remarkable surface fluency on code, yet they neither formally guarantee the syntactic validity of their output nor leverage the hierarchical structure defining the target language. While existing constrained-decoding frameworks address the former, they operate under rigid assumptions that preclude critical lexical mechanisms – including context-sensitive lexing, maximal-munch tokenization, and keyword extraction – and only approximate vocabulary masking, sacrificing completeness. For the latter, code LLMs typically inject grammatical structure via predetermined policies rather than learning which structural information to expose. In this work, we introduce Weave of Formal Thought (WoFT), a paradigm uniting rigorous syntactic validation with learned structural representations. First, we present a formal engine and constrained decoder that is sound and complete with respect to the full Tree-sitter specification. By augmenting generalized LR (GLR) parsing with a speculative-lexing construction that maintains concurrent lexer-state hypotheses synchronized with a GLR graph-structured stack, our decoder admits every subword token extending to a valid program prefix and rejects all others. Second, we present a latent-variable fine-tuning method training the language model to interleave non-terminal grammar symbols directly into generation. Utilizing the reweighted wake-sleep (RWS) algorithm to optimize the importance-weighted evidence lower bound (IW-ELBO) of the surface text, the model learns to selectively retain formal derivations as an adaptive structural scratchpad. For Python, fine-tuning StarCoder2-3B with our RWS objective reduces per-token cross-entropy by 14.3% relative to a text-only SFT baseline, demonstrating that discretionary latent syntax recovers critical structural information that flat autoregressive training discards.

12.
arXiv (CS.AI) 2026-06-25

TopoCast: A Topological Fidelity Framework for Evaluating Transformer-Based Time Series Forecasting

arXiv:2606.25439v1 Announce Type: cross Abstract: Deep learning-based models have achieved state-of-the-art performance in Time Series Forecasting (TSF), yet their evaluation remains dominated by pointwise error metrics such as Mean Squared Error (MSE), which quantify numerical accuracy but overlook structural properties of the forecast signal, including recurrent dynamics, oscillatory behavior, and phase alignment. As a result, forecasts exhibiting over-smoothing, phase shifts, or frequency distortions may achieve favorable error scores despite substantial structural degradation. To address this limitation, we propose TopoCast, a topology-driven framework for evaluating structural fidelity in TSF. TopoCast reconstructs phase-space representations of forecast and ground-truth sequences using Takens delay embedding and applies persistent homology to characterize their intrinsic dynamics. We derive four complementary topological fidelity measures from persistence diagrams and aggregate them into a Topological Fidelity Score (TFS). We further introduce dominant cycle overlap, a novel metric that maps persistent topological features to the temporal domain to assess whether dominant oscillatory patterns occur at the correct time points. Combined with TFS, this yields the Localized Topological Fidelity Score (LTFS), a phase-aware measure that captures temporal localization errors invisible to existing evaluation metrics. Experiments on five Transformer architectures across three real-world benchmark datasets demonstrate that models with similar forecasting errors can exhibit markedly different structural fidelity profiles, revealing failure modes overlooked by conventional evaluation and highlighting the value of topology-aware forecast assessment.

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

City landscape in sight: A crowdsourced framework for unlocking urban-scale window view perceptions from real estate imagery

City landscapes viewed through home windows influence quality of life, yet perceptions of actual window views at the urban scale remain understudied. This study presents an approach for large-scale mapping of perceptions using 12,334 window view images (WVIs) collected from actual residential properties listed on real estate platforms in Wuhan, China, representing a rarely explored form of urban view imagery that offers advantages over the rendered or simulated window views commonly examined in previous studies. Through a non-immersive virtual reality platform, we collected 27,477 pairwise comparisons across six perceptual dimensions (e.g.\ Vivid) from 304 participants based on 499 WVIs. A hybrid neural network model was trained to predict human perceptions of all crowdsourced WVIs and map their spatial distribution. Results reveal significant spatial autocorrelation with distinct hot and cold spots across the whole city. Floor level strongly influences human perceptions: while higher floors offer more preferred and extensive window views, lower-floor windows provide residents with quiet and vivid views. An inference model further shows that window view composition matters considerably: high ratios of sky, trees, and low-rise buildings enhance people's preferences and perceptions of vividness, whereas high ratios of high-rise buildings increase perceptions of monotony and oppression. Importantly, these effects are non-linear: the excessive presence of certain elements can alter their impact on human perception. This work advances urban-scale understanding of residents' visual experiences and provides evidence-based guidance for human-centric urban planning and real estate to optimise visual landscapes from windows.

14.
arXiv (CS.CL) 2026-06-11

M4FC: a Multimodal, Multilingual, Multicultural, Multitask Real-World Fact-Checking Dataset

Existing real-world datasets for multimodal fact-checking have multiple limitations: they contain few instances, cover on only one or two languages, focus only on one task, or rely on external news article sets for sourcing true claims. To address these shortcomings, we introduce M4FC, a new real-world dataset comprising 4,982 images paired with 6,980 claims. The images, verified by professional fact-checkers from 22 organizations, represent a diverse range of cultural and geographic contexts. Each claim is available in one or two out of ten languages. M4FC spans six multimodal fact-checking tasks: visual claim extraction, claimant intent prediction, fake image detection, image contextualization, location verification, and verdict prediction. We provide baseline results for all tasks and analyze how combining intermediate tasks affects verdict prediction performance. We make our dataset and code publicly available.

15.
arXiv (CS.AI) 2026-06-18

Improving Scientific Document Retrieval with Academic Concept Index

arXiv:2601.00567v2 Announce Type: replace-cross Abstract: Adapting general-domain retrievers to scientific domains is challenging due to the scarcity of large-scale domain-specific relevance annotations and the substantial mismatch in vocabulary and information needs. Recent approaches address these issues through two independent directions that leverage large language models (LLMs): (1) generating synthetic queries for fine-tuning, and (2) generating auxiliary contexts to support relevance matching. However, both directions overlook the diverse academic concepts embedded within scientific documents, often producing redundant or conceptually narrow queries and contexts. To address this limitation, we introduce an academic concept index, which extracts key concepts from papers and organizes them guided by an academic taxonomy. This structured index serves as a foundation for improving both directions. First, we enhance the synthetic query generation with concept coverage-based generation (CCQGen), which adaptively conditions LLMs on uncovered concepts to generate complementary queries with broader concept coverage. Second, we strengthen the context augmentation with concept-focused auxiliary contexts (CCExpand), which leverages a set of document snippets that serve as concise responses to the concept-aware CCQGen queries. Extensive experiments show that incorporating the academic concept index into both query generation and context augmentation leads to higher-quality queries, better conceptual alignment, and improved retrieval performance.

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

Agentic Framework for Deep Learning workload migration via In-Context Learning

arXiv:2606.15994v1 Announce Type: new Abstract: Translating deep learning models from PyTorch's flexible, object-oriented design to JAX's functional, stateless setup is usually a manual and error-prone task. Automated migration is challenging because Large Language Models (LLMs) struggle with strict and dynamic API alignment and are prone to mistakes for exacting operations. We propose a fully autonomous system that combines In-Context Learning (ICL) with oracle-driven self-debugging. First, we curated an ICL context that serves as a strict reference for idiomatic JAX styling and test case generation. Second, instead of depending on the LLM to deduce mathematical outputs, we run the source PyTorch modules to get their actual dynamic tensor states. This creates an unchangeable execution oracle. We then use an autonomous agentic loop to synthesize tests based on the oracle data. The test cases are executed repeatedly, and the traceback is sent back to the LLM for self-correction. Ablations show that combining ICL references with oracle grounding and self-debugging greatly outperforms pure instructional and basic agentic baselines. This improvement does not add an excessive computational overhead. Our lightweight pipeline achieves 91% numerical equivalence (compared to baseline: 9%, instruction + self-debugging: 27%) on neural modules, providing a highly reliable, scalable blueprint for cross-framework migration. This has been validated across several state-of-the-art models including SAM (segment anything), T5, Code Whisper amongst others showing high numerical equivalency. Code: https://github.com/AI-Hypercomputer/accelerator-agents/tree/main/MaxCode

17.
arXiv (CS.CL) 2026-06-16

All-Mem: Agentic Lifelong Memory via Dynamic Topology Evolution

Lifelong interactive agents are expected to assist users over months or years, which requires continually writing long term memories while retrieving the right evidence for each new query under fixed context and latency budgets. Existing memory systems often degrade as histories grow, yielding redundant, outdated, or noisy retrieved contexts. We present All-Mem, an online/offline lifelong memory framework that maintains a topology structured memory bank via explicit, non destructive consolidation, avoiding the irreversible information loss typical of summarization based compression. In online operation, it anchors retrieval on a bounded visible surface to keep coarse search cost bounded. Periodically offline, an LLM diagnoser proposes confidence scored topology edits executed with gating using three operators: Split, Merge, and Update, while preserving immutable evidence for traceability. At query time, typed links enable hop bounded, budgeted expansion from active anchors to archived evidence when needed. Experiments on LoCoMo and LongMemEval-s show improved retrieval and QA over representative baselines. The code is available at https://github.com/LvCan926/All-Mem.

18.
bioRxiv (Bioinfo) 2026-06-24

ComplexDesign: sequence-hallucination design of protein binders bridging multiple proteins

Motivation: Designing multichain protein complexes requires coordinating the folding of component proteins with the formation of their interfaces. The existing methods, however, remain limited in their ability to satisfy these requirements simultaneously, especially for trimeric and tetrameric complexes. As an important practical scenario, designing a binder that bridges two target proteins into a ternary complex requires flexibility in the relative arrangement of the two targets, adding an additional challenge to existing design methods. Results: We present ComplexDesign, a hallucination-based approach for multichain protein design. ComplexDesign performs structure-prediction-guided sequence optimization to simultaneously fold each protein chain and form inter-chain interactions that bind them together. To provide the flexibility required to appropriately arrange these target proteins, ComplexDesign introduces a specialized masking mechanism that enables exploration of possible relative arrangements rather than being limited to the predefined ones. Across a comprehensive set of benchmarks with various chain lengths, ComplexDesign outperformed existing methods in the unconditional design of dimers, trimers, and tetramers, achieving a high design success rate exceeding 50%, supporting its capability for multichain complex design. Furthermore, in the case of multi-target binder design, ComplexDesign produced high-confidence, self-consistent ternary complexes for 8 out of 10 target pairs. These results establish ComplexDesign as an effective tool for multichain protein design, with particular utility for designing binders that bridge two target proteins. Availability and implementation: The source code of ComplexDesign will be made publicly available upon publication.

19.
arXiv (CS.CV) 2026-06-11

Real-Time Neural Hair Denoising

We propose a lightweight real-time method for reconstructing strand-based hair G-Buffers from severely undersampled rasterized inputs. Our pipeline first applies neural spatial reconstruction and temporal accumulation to recover hair coverage, i.e., fractional hair visibility within a pixel, and tangent. It then uses a tangent-guided reconstruction step to complete the position, which is subsequently used for physically based deferred hair shading. We evaluate our method across a diverse set of hairstyles, including straight, wavy, afro, and ponytail styles, under both static and dynamic scenarios. Our method achieves higher hair reconstruction quality than existing hair-specific denoising techniques and general industrial neural reconstruction solutions such as DLSS and FSR.

20.
arXiv (CS.CV) 2026-06-11

RSTR: Reducing SpatioTemporal Redundancy in Diffusion Transformers

Diffusion Transformers (DiTs) have achieved remarkable success in image generation, yet their deployment is hindered by high computational costs. We identify two sources of redundancy. First, temporal redundancy: Classifier-Free Guidance (CFG) applies costly dual forward passes at every timestep, yet guidance matters only at specific steps, and variable scales at critical steps can compensate for skipping others. Second, spatial redundancy: under variable guidance, different transformer blocks exhibit heterogeneous sensitivity, yet uniform calibration across all blocks wastes computation while failing to address their varying requirements. We present RSTR, the first framework to jointly reduce spatiotemporal redundancy in diffusion transformers. Stage-1 addresses temporal redundancy through evolutionary search, discovering sparse guidance schedules with variable scales. Stage-2 addresses spatial redundancy through adaptive rank allocation, assigning calibration capacities to transformer regions based on their sensitivity. Experiments on DiT-XL/2, PixArt-$\alpha$, FLUX, and state-of-the-art Qwen-Image demonstrate 50%-70% compute savings while maintaining or improving quality. On DiT-XL/2, RSTR achieves 57% savings with 15% FID improvement; on Qwen-Image, 3.43$\times$ speedup with preserved quality.

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

Tree-Structured Orthonormal Decomposition of the Aitchison Simplex

arXiv:2606.11646v1 Announce Type: new Abstract: Compositional data – vectors encoding relative proportions – arise across scientific domains, including ecology, geochemistry, and genomics. The features in these data often come with known hierarchical structure (e.g., taxonomies, phylogenies, ontologies), yet existing methods either ignore this structure, discard the intrinsic Aitchison geometry, are designed for binary trees, or yield incomplete coordinate systems. We describe PolyILR, a canonical orthonormal decomposition of the Aitchison tangent space aligned with any tree topology. Our construction defines a weighted local geometry at each internal node capturing full branching structure, then lifts these to a global orthonormal basis where every coordinate corresponds to a specific tree location. On microbiome and single-cell benchmarks, PolyILR yields stable, interpretable features and enables inference at multiscale tree resolution. We also establish a novel theoretical connection to softmax classifiers, suggesting possible applications to probabilistic modeling.

22.
arXiv (CS.LG) 2026-06-15

Operator Calculus for Population-Based Optimization: A Mean-Field Convergence Theory

arXiv:2606.14289v1 Announce Type: cross Abstract: Population-based and distributional optimization methods, from evolution strategies and consensus-based optimization to covariance-matrix adaptation and stochastic gradient methods viewed as distributional dynamics, are widely used for nonconvex or black-box problems, yet their convergence analyses remain fragmented across algorithm-specific techniques. We introduce an operator calculus in which a broad class of such methods, after choosing an appropriate state space and, where necessary, augmenting the state by memory or strategy variables, is described as a composition of three elementary operators (mutation, selection, and recombination) acting on probability measures. Under explicit stability and regularity conditions, the composite operator admits a pre-generator whose continuous-time limit is a transport-reaction-jump (TRJ) PDE that preserves the operator splitting. On this foundation we establish a modular Lyapunov principle. If a state-space Lyapunov function both dissipates under the full generator and controls the relevant search-space gauges, then the state-space Lyapunov functional and the induced search errors decay exponentially. The additive generator structure allows dissipation estimates to be assembled operator by operator, providing a toolkit for certifying convergence of composite mean-field algorithms.

23.
arXiv (CS.CL) 2026-06-12

Given, When, Then, Again: Mining Subscenario Refactoring Candidates in Behaviour-Driven Test Suites with ML Classifiers and LLM-Judge Baselines

Context. Behaviour-Driven Development (BDD) test suites accumulate duplicated step subsequences. Three published refactoring patterns are available (within-file Background, within-repo reusable-scenario invocation, cross-organisational shared higher-level step), but no prior work automates which recurring subsequences are worth extracting or which mechanism applies. Objective. Rank recurring step subsequences ("slices") by refactoring suitability (extraction-worthy), pre-map each to one of the three patterns, and quantify prevalence across the public BDD ecosystem. Method. Every contiguous L-step window (L in [2, 18]) in a 339-repository / 276-upstream-owner Gherkin corpus is keyed by paraphrase-robust cluster identifiers and counted under three scopes. SBERT / UMAP / HDBSCAN clustering recovers paraphrase-equivalent slices. Three authors label a stratified 200-slice pool against a written rubric. An XGBoost extraction-worthy classifier trained under 5-fold cross-validation is compared with a tuned rule baseline and two open-weight Large Language Model (LLM) judges. Results. The miner produces 5,382,249 slices collapsing to 692,020 recurring patterns. Three-author Fleiss' kappa = 0.56 (extraction-worthy) and 0.79 (mechanism). The classifier reaches out-of-fold F1 = 0.891 (95% CI [0.852, 0.927]), outperforming both the rule baseline (F1 = 0.836, p = 0.017) and the better LLM judge (F1 = 0.728, p = 1.5e-4). 75.0%, 59.5%, and 11.7% of scenarios carry a within-file Background, within-repo reusable-scenario, and cross-organisational shared-step candidate, respectively; the figures are stable under a sweep of the classifier decision threshold. Conclusion. Paraphrase-robust subscenario discovery yields a corpus-wide census of BDD refactoring candidates; pipeline, classifier predictions, labelled pool, and rubric are released under Apache-2.0.

24.
arXiv (CS.LG) 2026-06-17

Adaptable Method for Crystal Design across Diverse Constraints and Objectives with Pretrained Property Predictors

arXiv:2410.08562v5 Announce Type: replace-cross Abstract: Advanced crystal design can accelerate materials discovery across applications from photovoltaics to spintronics. Practical design must satisfy multiple properties and physical constraints, yet existing machine-learning-based approaches to such design often depend on large datasets, retraining, or task-specific generators. Here, we show that direct predictor-guided gradient optimization enables data-efficient, constraint-rich crystal design by combining off-the-shelf predictors with site-wise element masks, template initialization, and task-specific losses. In perovskites, it outperformed generative and Bayesian baselines under three targets – band gap, formation energy, and tolerance factor – and two hard constraints. DFT assessment further showed band-gap targeting competitive with a leading generative model despite using predictors trained on roughly one-tenth of the data. By flexibly combining pretrained predictors with application-oriented masks and custom losses, the same framework supported half-metal design. Such modularity could help researchers and engineers translate diverse application requirements directly into optimized candidate crystals with minimal computational cost.

25.
bioRxiv (Bioinfo) 2026-06-22

EMAlign: accurate alignment of cryo-EM maps through main-chain probability using deep learning

Accurate alignment of cryo-EM density maps is essential for comparing conformational states, searching map libraries, and guiding atomic model building, but remains challenging for noisy experimental maps and partially overlapping structures. Existing alignment methods are often based on raw maps, which may result in reduced accuracy due to the density noise, or require manual intervention for local alignment, which suffers from limited general applicability. Addressing the limitations, we present EMAlign, an automatic global and local cryo-EM map alignment with predicted main-chain probability using deep learning. First, EMAlign predicts main-chain prob ability maps from raw cryo-EM density maps using a BiMCUNet network. Then, a fast Fourier transform (FFT)-based search strategy is used to globally search the accurate alignment between cryo-EM maps based on predicted main-chain probability maps. As such, the main-chain prob ability map overcomes the noisy raw map problem, and the FFT-based exhaustive global search ensures the general applicability of alignment. EMAlign is evaluated on 64 global map pairs, 195 local map pairs, and 60 structure-to-map pairs at 3-10 [A] resolution and compared with gmfit, fitmap, VESPER, and CryoAlign. It is shown that EMAlign outperforms the other methods in both global and local alignment, achieving mean RMSDs of 1.03 [A] (global), 2.56 [A] (local), and 0.82 [A] (structure-to-map), with success rates of 100.0%, 100.0%, and 98.3% under the criterion of RMSD < 10 [A]. The EMAlign package is freely available at https://github.com/huang-laboratory/EMAlign/.