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

Prediction-Powered Risk Monitoring of Deployed Models for Detecting Harmful Distribution Shifts

arXiv:2602.02229v2 Announce Type: replace Abstract: We study the problem of monitoring model performance in dynamic environments where labeled data are limited. To this end, we propose prediction-powered risk monitoring (PPRM), a semi-supervised risk-monitoring approach based on prediction-powered inference (PPI). PPRM constructs anytime-valid lower bounds on the running risk by combining synthetic labels with a small set of true labels. Harmful shifts are detected via a threshold-based comparison with an upper bound on the nominal risk, satisfying assumption-free finite-sample guarantees on the type-I error. We demonstrate the effectiveness of PPRM through extensive experiments on image classification, large language model (LLM), and telecommunications monitoring tasks.

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

Federated Survival Analysis in Healthcare: A Multi-Model Evaluation on Cross-Institutional Heterogeneous Breast Cancer Data

arXiv:2606.23871v1 Announce Type: new Abstract: Survival analysis is central to clinical decision-making, yet reliable time-to-event models require large, diverse cohorts that are rarely available at a single institution, while privacy regulations restrict the centralization of patient data. Federated learning (FL) offers a privacy-preserving alternative by training shared models without exchanging raw data, but its effectiveness for survival modeling under realistic, heterogeneous conditions remains insufficiently understood. This paper presents a systematic, multi-model evaluation of federated survival analysis on a cross-institutional breast cancer cohort with naturally heterogeneous distributed clients. Three representative survival models, the Cox Proportional Hazards model, DeepSurv, and Random Survival Forest (RSF), are compared across centralized, local, and federated training, and three federated optimization strategies (FedAvg, FedProx, and FedAdam) are assessed for the gradient-based models. Results show that FL consistently outperforms local training and approaches, and occasionally exceeds, centralized performance, while RSF offers the best overall balance of discrimination, calibration, and robustness across heterogeneous clients. We further find that performance depends on the diversity of client distributions, and that FedAvg and FedProx are stronger and more stable than FedAdam. Based on these findings, we derive practical, decision-oriented guidelines mapping data, privacy, interpretability, and resource constraints to recommended model and training-paradigm choices for federated survival modeling in healthcare.

03.
medRxiv (Medicine) 2026-06-22

Discovering Novel intracranial EEG Biomarkers of Seizure Generating Tissue through Time-Frequency Analysis

Objective: EEG biomarkers for seizure-generating tissue have historically been identified visually, which lacks objectivity and limits utility of automated approaches. For example, high frequency oscillations and interictal epileptiform discharges were promising markers to improve surgical outcomes for refractory epilepsy, but low specificity has hindered clinical implementation, and automated algorithms have not improved this. Methods: We developed Intracranial EEG Pattern Identification and Categorization, an automated, data-driven time-frequency framework for EEG biomarker discovery. It detects transient high-power intracranial EEG waveforms (1-500 Hz) and characterizes them using eight features. In seizure-free patients, waveforms occurring predominantly in resected intracranial EEG channels are candidate biomarkers. Results: In retrospective data from 14 seizure-free post-surgical patients from University of California, Los Angeles, we identified 9 waveform categories strongly associated with resected intracranial EEG channels. These included beta, gamma, and ripple band bursts, sometimes co-occurring with interictal epileptiform discharges; however, many were visually imperceptible in the broadband EEG. Using a support vector machine, we generated a unified classification metric based on these waveforms and tested it on 87 seizure-free subjects from Detroit Medical Center. This metric achieved higher area under the precision-recall curve than six state-of-the-art benchmark algorithms (p

04.
arXiv (CS.AI) 2026-06-12

TerraBench: Can Agents Reason Over Heterogeneous Earth-System Data?

arXiv:2606.13148v1 Announce Type: new Abstract: Climate and environmental decision-making increasingly requires reasoning across heterogeneous inputs, including gridded physical data, satellite imagery, geospatial context, and simulator outputs. Weather and climate foundation models can forecast well, but do not reason interactively in language, while large language models (LLMs) reason in language but cannot operate directly on high-dimensional Earth-system data. As a result, real scientific workflows in Earth-science remain underserved. We introduce TerraBench, a benchmark for grounded Earth-science reasoning, built on TerraAgent, a ReAct-style executable framework that interleaves reasoning, tool calls, and observations to couple LLM planning with scientific tools for environmental retrieval, geospatial processing, simulation, and artifact-backed computation. TerraBench unifies analysis of Earth observation imagery, gridded data, GIS reasoning and simulation in a single executable interface, whereas prior benchmarks isolate these capabilities into narrow individual tasks. It is also the first in this space to pair process-level tool-use metrics with tolerance-aware numeric scoring. The benchmark comprises 403 extensive agentic tasks across three tracks (Fundamentals, Simulator-Grounded, and Document-Grounded Verification) and eight application domains with 24,500 verified execution steps. These results indicate that reliable Earth-science agents must go beyond tool access to coordinate heterogeneous workflows, parameterize tools precisely, and preserve artifact provenance.

05.
arXiv (CS.CL) 2026-06-15

CacheRL:Multi-Turn Tool-Calling Agents via Cached Rollouts and Hybrid Reward

We present CacheRL, a system for training small agent foundation models that achieves 92 percent process accuracy on multi-step tool-calling tasks, approaching GPT-5's 94 percent while requiring 100 times less compute. Our approach addresses three challenges in practical agent training: transferring tool-calling knowledge from large models at scale, enabling reinforcement learning without costly live tool execution, and learning robustly from noisy cached environments. CacheRL introduces three key innovations. First, a hybrid thinking trajectory pipeline augments agent trajectories with LLM-generated reasoning traces, producing training examples that teach models not only what tools to call but also why. Second, the CacheAgentLoop eliminates live execution costs through a three-tier fuzzy cache while preserving trajectory fidelity using token-level masking. Third, a cache-tier-aware reward dynamically adjusts answer-quality weights to avoid penalizing models for cache-induced limitations. Through iterative supervised fine-tuning (SFT) and Group Relative Policy Optimization (GRPO), CacheRL improves Qwen3-4B-Thinking's validation reward from 0.43 to 0.78. On public agentic tool-calling benchmarks, our model achieves competitive performance against frontier models such as GPT-5. Ablation studies show that removing knowledge transfer reduces performance by 41 percent, while cache-aware rewards contribute a 17 percent improvement. Interestingly, reinforcement learning improves training stability but yields limited gains beyond strong supervised fine-tuning, suggesting that data quality and reward design play a more important role than complex optimization methods in building practical small agent models.

06.
arXiv (CS.CV) 2026-06-12

Masked and Predictive Self-Supervised Foundation Models for 3D Brain MRI

Self-supervised foundation models have shown strong promise in medical imaging. However, existing MRI foundation-model studies have primarily emphasized segmentation and dense prediction tasks, while systematic investigation of self-supervised foundation models for MRI-based disease detection remains limited. In this work, we investigate two major self-supervised pretraining paradigms for MRI-based disease detection: reconstruction-based learning via Masked Autoencoders (MAE) and predictive representation learning via Joint Embedding Predictive Architectures (JEPA). We study the role of auxiliary objectives by introducing a novel spectral-domain reconstruction loss for MAE to enhance sensitivity to fine-grained anatomical structure, and by integrating variance–covariance regularization (VCR) within our JEPA framework to encourage decorrelated latent representations. Our models are pretrained on heterogeneous single-contrast MRI volumes in a contrast-agnostic setting, without modality concatenation. Across five downstream disease detection tasks, our results highlight the importance of self-supervised objective design for medical foundation model pretraining, demonstrating that the downstream benefit of each objective is determined by its relevance to the task's structure. Specifically, spectral regularization yields the largest improvements when the downstream discriminative signal is characterized by strong high-frequency anatomical structures, while covariance regularization is most beneficial when discriminative information spans multiple decorrelated feature dimensions. MAE with spectral-domain supervision consistently achieves superior downstream performance for MRI-based disease detection. These findings suggest that self-supervised objectives in medical imaging encode specific biases, and their downstream benefit is fundamentally conditioned on the task's structure.

07.
arXiv (quant-ph) 2026-06-11

Permutation-Invariant N-body gates via Tavis-Cummings Hamiltonian

arXiv:2506.03453v3 Announce Type: replace Abstract: Global control provides a promising route to implementing multi-qubit gates without individual qubit addressing. This is especially appealing for permutation-invariant (PI) gates, whose symmetry is often broken when they are compiled into individually addressed one- and two-qubit gates. Important examples include SWAP, $\sqrt{iSWAP}$, and the n-qubit controlled-Z gate, which is equivalent, up to two single-qubit Hadamard gates, to the multi-qubit Toffoli gate. Motivated by this global-control perspective, we show that all PI unitaries on an arbitrary number of qubits can be realized using the Tavis-Cummings (TC) interaction, the multi-qubit version of the Jaynes-Cummings interaction, together with global uniform z and x fields. Here, the $n$ qubits are identically coupled to a single bosonic mode (oscillator), which is initialized in and returned to its vacuum state. A corollary is that all PI states, including GHZ and Dicke states, can be prepared using the same global control. For the case n=2 qubits, which is particularly important in quantum computing, we also find explicit pulse sequences for implementing all PI qubit unitaries that conserve angular momentum in the z direction, using only the TC interaction and global z fields. This includes controlled-Z, SWAP, and $\sqrt{iSWAP}$.

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

Generating adversarial inputs for a graph neural network model of AC power flow

Authors:

arXiv:2602.17975v2 Announce Type: replace Abstract: This work formulates and solves optimization problems to generate input points that yield high errors between a neural network's predicted AC power flow solution and solutions to the AC power flow equations. We demonstrate this capability on an instance of the CANOS-PF graph neural network model, as implemented by the PF$\Delta$ benchmark library, operating on a 14-bus test grid. Generated adversarial points yield errors as large as 3.7 per-unit in reactive power and 0.08 per-unit in voltage magnitude. When minimizing the perturbation from a training point necessary to satisfy adversarial constraints, we find that the constraints can be met with as little as an 0.04 per-unit perturbation in voltage magnitude on a single bus. This work motivates the development of rigorous verification and robust training methods for neural network surrogate models of AC power flow.

09.
arXiv (CS.CL) 2026-06-24

Prague Dependency Treebank – Consolidated 2.0: Enriching a Complex Annotation Scheme

The Prague Dependency Treebank framework is unique in its attempt to systematically include and link different layers of language, including a meaning representation with several types of inter-sentential phenomena, especially coreference and discourse relations. We present its second consolidated version (PDT-C 2.0), which concludes almost 30-years long project of sustained development of the resource to a uniformly and coherently annotated, genre-diversified, almost 4 million token language resource of Czech language, with accompanying fully compatible lexicons. In addition to continuous linguistic research, the richly linguistically annotated corpus is also widely used in international comparisons of the development of traditional and novel NLP tools as well as in conversions into other formalisms. The corpus and the trained parsers are available under the CC BY-NC-SA licence.

10.
arXiv (CS.CL) 2026-06-12

Reasoning Models Know What's Important, and Encode It in Their Activations

Language models often solve complex tasks by generating long reasoning chains, consisting of many steps with varying importance. While some steps are crucial for generating the final answer, others are removable. Determining which steps matter most, and why, remains an open question central to understanding how models process reasoning. We investigate if this question is best approached through model internals or through tokens of the reasoning chain itself. We find that model activations contain more information than tokens for identifying important reasoning steps. Crucially, by training probes on model activations to predict importance, we show that models encode an internal representation of step importance, even prior to the generation of subsequent steps. The internal representations of importance in different models yield high agreement on which steps are important. The representation is distributed across layers, and does not correlate with surface-level features, such as a step's relative position or its length. Our findings suggest that analyzing activations can reveal aspects of reasoning that surface-level approaches fundamentally miss, indicating that reasoning analyses should look into model internals.

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

Gated QKAN-FWP: Scalable Quantum-inspired Sequence Learning

arXiv:2605.06734v2 Announce Type: replace-cross Abstract: Fast Weight Programmers (FWPs) encode temporal dependencies through dynamically updated parameters rather than recurrent hidden states. Quantum FWPs (QFWPs) extend this idea with variational quantum circuits (VQCs), but existing implementations rely on multi-qubit architectures that are difficult to scale on noisy intermediate-scale quantum (NISQ) devices and expensive to simulate classically. We propose gated QKAN-FWP, a fast-weight framework that integrates FWP with Quantum-inspired Kolmogorov-Arnold Network (QKAN) using single-qubit data re-uploading circuits as learnable nonlinear activation, known as DatA Re-Uploading ActivatioN (DARUAN). We further introduce a scalar-gated fast-weight update rule that stabilizes parameter evolution, supported by a theoretical analysis of its adaptive memory kernel, geometric boundedness, and parallelizable gradient paths. We evaluate the framework across time-series benchmarks, MiniGrid reinforcement learning, and highlight real-world solar cycle forecasting as our main practical result. In the long-horizon setting with 528-month input window and 132-month forecast horizon, our 12.5k-parameter model achieves lower scaled Mean Square Error (MSE), peak amplitude error, and peak timing error than a suite of classical recurrent baselines with up to 13x more parameters, including Long Short-Term Memory (LSTM) networks (25.9k-89.1k parameters), WaveNet-LSTM (167k), Vanilla recurrent neural network (11.5k), and a Modified Echo State Network (132k). To validate NISQ compatibility, we further deploy the trained fast programmer on IonQ and IBM Quantum processors, recovering forecasting accuracy within 0.1% relative MSE of the noiseless simulator at 1024 shots. These results position gated QKAN-FWP as a scalable, parameter-efficient, and NISQ-compatible approach to quantum-inspired sequence modeling.

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

Information-Theoretic Classifier-Free Guidance with Adaptive Schedule Optimization

arXiv:2606.24025v1 Announce Type: new Abstract: Diffusion models have achieved strong performance in image, text-to-image, and video generation, where conditional generation is often controlled by classifier-free guidance (CFG). CFG improves condition consistency by increasing a guidance weight, but stronger guidance typically reduces diversity and distributional coverage. It remains unclear how this consistency-coverage trade-off should be controlled across the reverse trajectory, since the distribution induced by CFG is not simply the fixed-time tilted distribution given by the guided score field. To address this issue, we propose an information-theoretic framework for CFG schedule optimization. Our approach uses a clean endpoint reference to specify the desired consistency-coverage trade-off, while optimizing the actual distribution induced by the guided sampler toward this reference. We derive trajectory-level formulas to estimate the objective from samples and score evaluations, avoiding explicit density estimation. On ImageNet-512 with EDM-XXL and COCO with SD-XL, the learned schedules achieve competitive or improved trade-offs over constant guidance and allocate guidance selectively across noise levels.

13.
arXiv (CS.CV) 2026-06-25

HG-Bench: A Benchmark for Multi-Page Handwritten Answer-Region Grounding in Automated Homework Assessment

Automated homework assessment depends not only on recognizing student answers, but also on accurately locating where each answer and each intermediate reasoning step appears in noisy, multi-page handwritten work. This paper addresses the missing evaluation setting of page-aware, two-level answer-region grounding: given a sequence of homework page images, a model must localize complete answer regions and their ordered step-level subregions. We introduce HG-Bench, a benchmark of 500 human-annotated K-12 homework samples curated from a 1,489,278-image source pool, with question-level and step-level boxes linked by a hierarchical containment constraint. HG-Bench is paired with a page-aware evaluation protocol that separately measures complete-answer localization (FA) and step-level decomposition (FSm), revealing whether models truly ground the spatial structure of student reasoning rather than merely parse visible text. Across frontier closed-source APIs and competitive open-weight VLMs, no zero-shot system exceeds 55.22% on FA or 48.22% on FSm, while a GLM-4.6V 9B reference model fine-tuned on ~10k in-domain examples reaches 74.97/72.26. These results identify step-level handwritten grounding as a concrete capability gap and provide a reproducible benchmark, evaluation protocol, and trained reference point for future work on automated homework assessment.

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

Semantic Editing with Coupled Stochastic Differential Equations

Editing the content of an image with a pretrained text-to-image model remains challenging. Existing methods often distort fine details or introduce unintended artifacts. We propose using coupled stochastic differential equations (coupled SDEs) to guide the sampling process of any pre-trained generative model that can be sampled by solving an SDE, including diffusion and rectified flow models. By driving both the source image and the edited image with the same correlated noise, our approach steers new samples toward the desired semantics while preserving visual similarity to the source. The method works out-of-the-box, without retraining or auxiliary networks, and achieves high prompt fidelity along with near-pixel-level consistency. These results position coupled SDEs as a simple yet powerful tool for controlled generative AI. Project page: https://z-jianxin.github.io/syncSDE-release/. Code: https://github.com/Z-Jianxin/syncSDE-release.

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

A Generalizable Light Transport 3D Embedding for Global Illumination

Global illumination (GI) is essential for realistic rendering but remains computationally expensive due to the complexity of simulating indirect light transport. Recent neural methods have mainly relied on per-scene optimization, sometimes extended to handle changes in camera or geometry. Efforts toward cross-scene generalization have largely stayed in 2D screen space, such as neural denoising or G-buffer based GI prediction, which often suffer from view inconsistency and limited spatial understanding. We propose a generalizable 3D light transport embedding that approximates global illumination directly from 3D scene configurations, without using rasterized or path-traced cues. Each scene is represented as a point cloud with geometric and material features. A scalable transformer models global point-to-point interactions to encode these features into neural primitives. At render time, each query point retrieves nearby primitives via nearest-neighbor search and aggregates their latent features through cross-attention to predict the desired rendering quantity. We demonstrate results on diffuse global illumination prediction across diverse indoor scenes with varying layouts, geometry, and materials. The embedding trained for irradiance estimation can be quickly adapted to new rendering tasks with limited fine-tuning. We also present preliminary results for spatial-directional radiance field estimation for glossy materials and show how the normalized field can accelerate unbiased path guiding. This approach highlights a path toward integrating learned priors into rendering pipelines without explicit ray-traced illumination cues.

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

Learning to Share: Selective Memory for Efficient Parallel Agentic Systems

arXiv:2602.05965v2 Announce Type: replace-cross Abstract: Agentic systems solve complex tasks by coordinating multiple agents that iteratively reason, invoke tools, and exchange intermediate results. To improve robustness and solution quality, recent approaches deploy multiple agent teams running in parallel to explore diverse reasoning trajectories. However, parallel execution comes at a significant computational cost: when different teams independently reason about similar sub-problems or execute analogous steps, they repeatedly perform substantial overlapping computation. To address these limitations, in this paper, we propose Learning to Share (LTS), a learned shared-memory mechanism for parallel agentic frameworks that enables selective cross-team information reuse while controlling context growth. LTS introduces a global memory bank accessible to all teams and a lightweight controller that decides whether intermediate agent steps should be added to memory or not. The controller is trained using stepwise reinforcement learning with usage-aware credit assignment, allowing it to identify information that is globally useful across parallel executions. Experiments on the AssistantBench and GAIA benchmarks show that LTS significantly reduces overall runtime while matching or improving task performance compared to memory-free parallel baselines, demonstrating that learned memory admission is an effective strategy for improving the efficiency of parallel agentic systems. Project page: https://joefioresi718.github.io/LTS_webpage/

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

Dirac-Frenkel dynamics with inertia for nonlinearly parametrized solutions of evolution problems

arXiv:2606.24769v1 Announce Type: cross Abstract: Even when Dirac-Frenkel dynamics determine a well-defined evolution in function space, the corresponding parameter dynamics can be non-unique or ill-conditioned for redundant nonlinear parametrizations such as neural networks or mixture models. We propose to add inertia to the Dirac-Frenkel dynamics and show that this allows useful parameter velocity information to persist from the past trajectory in directions that are weakly informed, while well-informed parameter velocity directions continue to follow the Dirac-Frenkel dynamics. We prove that the inertial formulation yields well-posed parameter dynamics and provide a posteriori error bounds. After time discretization, the method requires the solution of the same type of regularized linear least-squares problem as standard Dirac-Frenkel dynamics, but with the previous velocity appearing as an anchor. Numerical experiments demonstrate the increased robustness obtained with inertia.

18.
arXiv (CS.LG) 2026-06-12

Towards One-for-All Anomaly Detection for Tabular Data

arXiv:2603.14407v2 Announce Type: replace Abstract: Tabular anomaly detection (TAD) aims to identify samples that deviate from the majority in tabular data and is critical in many real-world applications. However, existing methods follow a ``one model for one dataset (OFO)'' paradigm, which relies on dataset-specific training and thus incurs high computational cost and yields limited generalization to unseen domains. To address these limitations, we propose OFA-TAD, a generalist one-for-all (OFA) TAD framework that only requires one-time training on multiple source datasets and can generalize to unseen datasets from diverse domains on-the-fly. To realize one-for-all tabular anomaly detection, OFA-TAD extracts neighbor-distance patterns as transferable cues, and introduces multi-view neighbor-distance representations from multiple transformation-induced metric spaces to mitigate the transformation sensitivity of distance profiles. To adaptively combine multi-view distance evidence, a Mixture-of-Experts (MoE) scoring network is employed for view-specific anomaly scoring and entropy-regularized gated fusion, with a multi-strategy anomaly synthesis mechanism to support training under the one-class constraint. Extensive experiments on 34 datasets from 14 domains demonstrate that OFA-TAD achieves superior anomaly detection performance and strong cross-domain generalizability under the strict OFA setting. The source code is available at https://github.com/Shiy-Li/OFA-TAD.

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

SDS-LoRA: Overcoming Anisotropic Gradient Scaling in Low-Rank Adaptation

arXiv:2606.16454v1 Announce Type: cross Abstract: Low-Rank Adaptation (LoRA) enables efficient adaptation of large pre-trained models to downstream tasks by parameterizing weight updates with low-rank matrices. In this paper, we investigate the limitations of the LoRA parameterization from a geometric perspective. Specifically, we show that when a full fine-tuning gradient is backpropagated to the low-rank matrices, it undergoes anisotropic scaling driven by their singular values. We argue that this phenomenon is undesirable because it distorts the full fine-tuning gradient by skewing it toward dominant singular directions while suppressing others. Our analyses demonstrate that anisotropic gradient scaling reduces the effective rank of the low-rank matrices' gradients and results in suboptimal alignment between the full fine-tuning gradient and its low-rank approximation in LoRA, thereby exacerbating the gap to full fine-tuning. To address these limitations, we propose a new low-rank parameterization, SDS-LoRA, which structurally decouples singular values from the backward pass. Our method ensures that the full fine-tuning gradient backpropagates only through the orthonormal bases of the low-rank matrices' subspaces, independent of their scales. Convergence analysis demonstrates that while LoRA's convergence rate degrades with the condition number of the low-rank matrices, SDS-LoRA remains independent of it. Experimental results across natural language and vision benchmarks show that SDS-LoRA improves loss convergence and reduces the gap to full fine-tuning, significantly enhancing adaptation performance.

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

A Context-Aware Dataset for Stance Detection in Bioethical Controversies on Reddit

Bioethical debates increasingly unfold on social media, yet stance detection research lacks large-scale, domain-specific resources for modeling such context-dependent discourse. We present BioStance, a context-aware dataset of 39,600 annotated Post-Comment pairs from Reddit bioethical discussions. BioStance covers six controversial targets across three dimensions of bioethical controversy: fundamental value conflicts, individual liberty versus collective responsibility, and technological uncertainty. Each instance preserves hierarchical conversational context and is labeled by three independent annotators using a three-class stance scheme: Favor, Against, and None. The annotations achieve a mean Krippendorff's $\alpha$ of 0.82, indicating substantial reliability. By combining thematic diversity, conversational structure, and high-quality human annotation, BioStance supports research on context-aware stance detection, argument mining, and computational analysis of bioethical discourse.

21.
bioRxiv (Bioinfo) 2026-06-11

DeePEn - A Depth sensitive benchmark for Protein Engineering

Recent progress in modeling techniques and high-throughput screening has significantly enhanced the accessibility of protein engineering. Nevertheless, further progress gets hindered by the lack of robust benchmarks that capture the practical challenges for real-world protein engineering. Here, we introduced DeePEn, a Depth-sensitive benchmark for Protein Engineering that quantifies a models generalization capabilities when predicting protein fitness at increasing mutational distance from the wildtype or training data. We defined distance as the number of simultaneous point mutations, i.e., single amino acid variants (SAVs), moving from wild-type to mutant (edit distance in computer science jargon). Specifically selecting four deep mutational scanning (DMS) datasets with sufficient multi-mutation data points from ProteinGym, we assessed recent predictive models, including general and biophysics-informed protein Language Models (pLMs), and a non-transformer neural network. Our results highlight how the performance of all models deteriorates with increasing mutational distance and that no single metric sufficiently captures the diverse requirements of protein engineering. To overcome these shortcomings, DeePEn provides a readily available resource for multi-metric benchmarking that focuses on the prediction of distant variants.

22.
bioRxiv (Bioinfo) 2026-06-15

DAQplugin: Deep Learning based Real-time Model Evaluation Plugin for ChimeraX

Although an increasing number of protein structures are determined by cryogenic electron microscopy (cryo-EM), protein structure modeling frequently suffers from residue misassignments and sequence register shifts, particularly in regions with ambiguous density. Here, we present DAQplugin, a ChimeraX plugin that performs real-time evaluation of protein models against cryo-EM density maps using the deep-learning-based residue-wise model quality (DAQ) score. Unlike existing validation tools that are typically applied after model construction, DAQplugin enables real-time deep-learning-based validation during model building and refinement. To our knowledge, DAQplugin is the first tool that provides real-time deep-learning based validation of protein models for cryo-EM map within an interactive modeling environment. In addition to identifying potential modeling errors, DAQplugin also provides guidance for correcting sequence register shifts by suggesting alternative residue placements along the backbone. The computation in this plugin is designed to run efficiently on general CPUs without requiring GPU hardware. Using DAQplugin, users can perform deep-learning-based validation on standard laptops during interactive model building, model-map fitting, and refinement. DAQplugin is able to facilitate more accurate interpretation of cryo-EM density maps and improve the reliability assessment of protein structure models.

23.
arXiv (CS.CV) 2026-06-17

A geometric and deep learning reproducible pipeline for monitoring floating anthropogenic debris in urban rivers using in situ cameras

The proliferation of floating anthropogenic debris in rivers has emerged as a pressing environmental concern, exerting a detrimental influence on biodiversity, water quality, and human activities such as navigation and recreation. The present study proposes a novel methodological framework for the monitoring the aforementioned waste, utilising fixed, in-situ cameras. This study provides two key contributions: (i) the continuous quantification and monitoring of floating debris using deep learning and (ii) the identification of the most suitable deep learning model in terms of accuracy and inference speed under complex environmental conditions. These models are tested in a range of environmental conditions and learning configurations, including experiments on biases related to data leakage. Furthermore, a geometric model is implemented to estimate the actual size of detected objects from a 2D image. This model takes advantage of both intrinsic and extrinsic characteristics of the camera. The findings of this study underscore the significance of the dataset constitution protocol, particularly with respect to the integration of negative images and the consideration of temporal leakage. In conclusion, the feasibility of metric object estimation using projective geometry coupled with regression corrections is demonstrated. This approach paves the way for the development of robust, low-cost, automated monitoring systems for urban aquatic environments.

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

The Degeneracy Distillery

arXiv:2606.23838v1 Announce Type: new Abstract: When two or more parameters or labels produce similar data, they are degenerate, or hard to distinguish. Degeneracies render both label prediction and inverse problems difficult, since both machine learning algorithms and probabilistic samplers rely on the distinguishability of data and its gradients with respect to parameters. However, identifying degeneracies in physical models or real-world datasets can be elucidating about the choice of model or the underlying process that produces the data. We present the degeneracy distillery, a method that (1) detects and (2) resolves degenerate parameter combinations (a) automatically and (b) symbolically, from parameter-data (or parameter-simulation) pairs alone, through estimation and flattening of the Fisher information matrix. By exploring the information geometry of the likelihood, we characterize degeneracies as an intrinsic property of the physical model, requiring no realised data observation. We demonstrate our approach on a range of synthetic and real-world problems, discovering symbolic coordinate transformations that identify the combinations of parameters of a model which yield independent effects on the data. The resulting coordinates flatten the Fisher information in expectation globally, in contrast to posterior-based methods that flatten only at a single point, and substantially reduce the simulation budget required for downstream neural posterior estimation. In test cases we require up to $10\times$ fewer simulations for posterior estimation at matched validation calibration whilst simultaneously gaining physical insight on the system.

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

Does the Data Processing Inequality Reflect Practice? On the Utility of Low-Level Tasks

The data processing inequality is an information-theoretic principle stating that the information content of a signal cannot be increased by processing the observations. In particular, it suggests that there is no benefit in enhancing the signal or encoding it before addressing a classification problem. This assertion can be proven to be true for the case of the optimal Bayes classifier. However, in practice, it is common to perform "low-level" tasks before "high-level" downstream tasks despite the overwhelming capabilities of modern deep neural networks. In this paper, we aim to understand when and why low-level processing can be beneficial for classification. We present a comprehensive theoretical study of a binary classification setup, where we consider a classifier that is tightly connected to the optimal Bayes classifier and converges to it as the number of training samples increases. We prove that for any finite number of training samples, there exists a pre-classification processing that improves the classification accuracy. We also explore the effect of class separation, training set size, and class balance on the relative gain from this procedure. We support our theory with an empirical investigation of the theoretical setup. Finally, we conduct an empirical study where we investigate the effect of denoising and encoding on the performance of practical deep classifiers on benchmark datasets. Specifically, we vary the size and class distribution of the training set, and the noise level, and demonstrate trends that are consistent with our theoretical results.