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We propose the Tikhonov layer, a graph neural network layer that is interpretable by design: once trained, its learned parameters directly reveal which node features and which aspects of the graph topology were leveraged for prediction. In practice, the layer's propagation matrix takes the closed-form $R = (p(L)+Q)^{-1} Q$, where $L$ is the normalized graph Laplacian, $Q = diag(q_1,...,q_n)$ a learnable diagonal matrix of positive node-importance scores, and $p(\cdot)$ a learnable polynomial. For any input feature $x$, the layer output $Rx$ is the exact minimizer of a generalized graph Tikhonov problem that trades off node-level data fidelity against a topology-driven regularization penalty. The learned pair $\{\{q_i\},p\}$ constitutes a built-in explanation: large $q_i$ indicates that node $i$'s own features drive the prediction, while small $q_i$ signals reliance on the local graph topology; the shape of $p$ reveals whether homophily, heterophily, or a band-pass response is exploited. Expressivity is preserved by routing complexity through a dedicated, arbitrarily deep Q-network that produces the importance scores, while the Tikhonov layer itself remains transparent. We prove that distinct node-importance matrices yield distinct propagation operators, structurally coupling the explanation to the computation. Additionally, the Tikhonov layer provides, in a single layer, a global receptive field, mitigating both oversmoothing and oversquashing. Experiments on standard graph classification benchmarks confirm that the model matches (and sometimes outperforms) opaque baselines while producing interpretable and faithful explanations.

Latent reasoning enables reasoning over continuous hidden states rather than explicit tokens, avoiding the language bottleneck and inference overhead of chain-of-thought for medical VQA. However, existing methods suffer from modality collapse, insufficient visual supervision, and train-inference mismatch. Moreover, their opaque latent states offer no interpretability, which is critical in clinical applications. We propose VITAL, a latent-space reasoning framework for medical MLLMs with visual-semantic dual supervision: an auxiliary text decoder reconstructs reasoning chains from latent states, while a visual projector regresses ROI features from a frozen, independent medical vision encoder. Both modules are discarded at inference with zero overhead, yet can be re-attached post-hoc for dual interpretability, providing textual and visual explanations of the reasoning process without sacrificing efficiency. We construct a 61K dataset spanning 9 imaging modalities, exceeding prior medical visual latent reasoning datasets by an order of magnitude. Experiments on 7 benchmarks show that VITAL consistently and substantially outperforms the backbone, all latent reasoning baselines, and medical MLLMs trained on far larger data, achieving state-of-the-art results competitive with trillion-parameter proprietary models.

State estimation is a fundamental problem in control and signal processing, for which the Kalman Filter provides an optimal solution under linear dynamics, Gaussian noise, and known noise covariances. However, these assumptions often fail in realistic sensing settings such as Doppler radar and LiDAR. In these cases, the optimal estimator is inherently nonlinear, which leads to systematic performance degradation. This creates a performance gap that cannot be eliminated by tuning the noise covariance parameters (i.e., the process and measurement noise in the Kalman Filter) alone. To address this limitation, we propose Kalman Evolve, a framework for discovering improved filtering algorithms by jointly optimizing both noise parameters and the update structure. Our approach leverages large language models (LLMs) as a structured prior over program space, enabling the generation of interpretable, non-affine modifications to the classical Kalman filter while preserving its recursive form. We provide analytical results establishing the suboptimality of affine estimators under common nonlinear sensing models, motivating the need for structure-aware updates. Across a range of synthetic and real-world tracking benchmarks, including Doppler radar, LiDAR-based localization, and pedestrian tracking, the discovered algorithms consistently improve over strong baselines such as the Optimized Kalman Filter, achieving up to 12% reduction in RMSE. These results suggest that optimizing the structure of the Kalman filter, rather than only its parameters, provides a practical and interpretable way to improve state estimation.

Healthcare models are transitioning from unimodal prediction toward multimodal reasoning over heterogeneous diagnostic inputs. In computational pathology, for complex tumor subtypes where morphology alone can be challenging to distinguish, pathology reports and molecular measurements may provide additional diagnostic evidence alongside whole-slide images, yet existing models often fail to clarify how diverse signals assemble into recognizable diagnostic concepts. We propose ConceptM$^3$oE (Concept Multimodal MoE), which embeds concept formation directly within interaction-aware mixture-of-experts (MoE) pathways. The architecture decomposes evidence into modality-specific, redundant, and synergistic experts, which are then projected into structured concept bottlenecks mapping latent features to a hierarchy of morphology and biomarker concepts. To prevent the information loss typical of interpretable bottlenecks, we utilize residual pathways within each expert to allow task-relevant signals to flow both through the concepts and directly to the final task prediction, so that high performance is maintained alongside interpretability. Across an institutional pediatric brain tumor cohort and a public glioma cohort, the framework delivers competitive performance to unconstrained models while producing reasoning traces validated by an independent neuropathologist. In data-limited regimes, ConceptM$^3$oE improves limited-data performance, increasing macro-F1 from 56.41% to 66.70% at small training sizes compared to non-concept-informed baselines, while also showing faster training convergence consistent with the regularizing effect of concept learning. This work offers a scalable path toward high-performance medical AI that is inherently verifiable and better aligned with the complex decision-making of clinical practice.

Effective skills-aware talent recommendation must balance behavioral transition patterns, trajectory-sensitive adaptation, and inspectable occupation-level criteria. Evidence from public benchmarks on how these signals interact, however, remains limited. This study proposes CF-RL-TOPSIS, an interpretable late-fusion model that integrates a transition-aware collaborative branch, a compact reinforcement-style occupation-family bandit, and an entropy-weighted TOPSIS branch constructed from six semantic proxies; the validation-selected fusion coefficients remain auditable. The model is evaluated on two frozen public ICT talent-history benchmarks, JobHop and Karrierewege, using repeated chronological top-5 ranking and paired Wilcoxon tests. On JobHop the full hybrid attains NDCG@5 = 0.3040 +/- 0.0073 and significantly surpasses repeat-last, item Markov, transition-aware collaborative filtering, the CF+TOPSIS hybrid, GRU4Rec, and SASRec (p <= 0.0039 across planned comparisons). On Karrierewege the hybrid remains competitive but does not significantly exceed the strongest Markov baseline, revealing a persistence-dominated setting in which the bandit branch appropriately shrinks to near-zero weight. Proxy-sensitivity, family-level deep Q-network, and runtime checks support this interpretation, and a worked user-level case shows how branch scores, criterion weights, and rank shifts can be inspected for an individual recommendation. The contribution is not a benchmark-agnostic superiority claim, but a reproducible account of the conditions under which transparent late fusion adds value beyond simple continuation heuristics. In semantically rich, non-saturating talent-history regimes the three branches reinforce one another; in persistence-dominated regimes the same architecture remains competitive through its collaborative backbone, with the adaptive branch correctly inactive.

Understanding and monitoring human behavior in metro stations play an important role in supporting suicide prevention efforts, where early identification of high-risk situations can enable timely intervention. This requires assessing suicide risk from a surveillance video by jointly reasoning about the behavior of each passenger, his/her spatial context, and temporal dynamics. However, this assessment using videos captured by surveillance cameras is challenging, as it demands accurate perception of human motion, understanding of platform geometry, and aggregation of heterogeneous behavioral cues over time. In this work, we formalize the task of Suicide Risk Assessment (SRA) in metro stations and introduce the first interpretable framework that addresses this challenge. Unlike approaches that focus on isolated subtasks or attempt to infer intent directly, our formulation assesses suicide risk from accumulated evidence by incorporating person tracking, activity recognition, semantic segmentation of the platform, and trajectory-driven risk heatmap modeling. By formalizing SRA as a distinct task and benchmarking a complete operational pipeline achieving 83.2% ROC-AUC on real surveillance data, this work highlights the complexity of suicide risk assessment and opens new directions for research on interpretable AI systems for social good.

Accurate segmentation of brain tumour sub-regions from multi-parametric MRI is critical for treatment planning yet remains challenging due to morphological variability, class imbalance, and overlapping appearances of tumour regions across imaging sequences. We propose SegGuidedNet, a three-dimensional residual encoder--decoder network introducing a novel SegAttentionGate module that explicitly supervises the decoder to produce spatially discriminative attention maps for each tumour sub-region necrotic core, peritumoral oedema, and enhancing tumour via a lightweight auxiliary loss, adding less than 0.2% parameter overhead. This sub-region supervision maintains decoder discriminability between visually ambiguous classes while providing free-of-cost spatial interpretability at inference without any post-hoc explanation method. Evaluated independently on BraTS2021 and BraTS2023 GLI across 251 held-out subjects each, SegGuidedNet achieves mean Dice of 0.905 (ET= 0.873, TC=0.906, WT=0.935) and 0.897 (ET=0.859, TC=0.902, WT=0.931) respectively, surpassing ensemble-based nnU-Net and HNF-Netv2 as a single model and approaching Swin UNETR a 10-model ensemble within 2--4 Dice points at a fraction of the inference cost. The consistency of results across two benchmark editions further confirms the generalisability of the proposed approach, offering competitive accuracy with built-in interpretability in a lightweight, clinically practical framework.

Visual Question Answering (VQA) holds great promise for clinical support, particularly in ophthalmology, where retinal fundus photography is essential for diagnosis. However, ophthalmic VQA benchmarks primarily emphasize answer accuracy, neglecting the explicit visual evidence necessary for clinical interpretability. In this work, we introduce FundusGround, a new benchmark for clinically interpretable ophthalmic VQA with spatially-grounded lesion evidence. Specifically, we propose a three-stage pipeline that collects 10,719 fundus images with 15,595 image-level meticulously annotated lesions. To ensure anatomical consistency and clinical validity, all lesions are spatially localized using the Early Treatment Diabetic Retinopathy Study (ETDRS) grid, enabling standardized mapping to nine clinically meaningful retinal regions. Built upon this structured lesion evidence, 72,706 questions are then generated spanning four formats: open-ended, closed-ended, single-choice, and multiple-choice. We further benchmark multiple general- and medical- large vision-language models using dual metrics for answer accuracy and lesion-level reasoning. The experiments demonstrate that incorporating lesion-level visual evidence consistently improves model performance and transparency, highlighting the necessity of explicit spatial grounding for reliable and explainable ophthalmic VQA.

Complex dynamical systems governed by holomorphic maps such as $z^2 + c$ exhibit fractal boundaries with extreme sensitivity to initial conditions. Accurately modelling these structures from data requires methods that respect the underlying complex-analytic geometry, yet Multi-Layer Perceptrons (MLPs) within Neural Ordinary Differential Equations (Neural ODEs) lack complex-analytic priors, violate the Cauchy--Riemann conditions, and function as opaque approximators incapable of yielding governing equations. We introduce Holomorphic KAN-ODE, a framework that replaces the MLP with a Kolmogorov-Arnold Network (KAN) whose learnable B-spline activations reside on network edges, and incorporates Cauchy--Riemann equations as a differentiable regularization to preserve holomorphic structure. We evaluate on six families of complex dynamical systems spanning polynomial and transcendental classes. With only 280 parameters ($16\times$ fewer than the MLP baseline), the network achieves velocity-field $R^2 > 0.95$ on all six systems, correctly identifies all six governing symbolic families through automatic spline-to-formula fitting, and reconstructs Julia set fractal boundaries with up to 98.0% agreement. Crucially, the model exhibits only 4% MSE degradation under 10% observation noise versus $15.2\times$ for MLPs, and achieves 90.4% improvement in transfer learning from quadratic to cubic dynamics. While the MLP attains lower pointwise reconstruction error due to its larger capacity, the KAN uniquely provides interpretable symbolic equations, enforced holomorphic structure, and superior noise resilience, capabilities that are entirely absent in black-box architectures. These results establish KANs as a parameter-efficient, interpretable alternative to MLPs for physics-informed discovery of holomorphic dynamics.

Pairwise image quality assessment (IQA) in professional photography requires a model not only to identify the preferred image between two candidates, but also to provide convincing and image-grounded reasoning. In the NTIRE 2026 RAIM challenge, this requirement is further emphasized by jointly evaluating preference prediction and rationale generation. To address this task, we propose iDiff, an Interpretable Difference-aware framework for pairwise image quality assessment. Our method adopts a dual-branch design consisting of an Answer Model and a Thinking Model. The Answer Model performs robust preference prediction by explicitly decomposing each sample into left/right global and local views, followed by content-aware specialization for person and scene images and ensemble-based aggregation across backbones. The Thinking Model focuses on rationale generation and is progressively enhanced with expert-style templates, multi-source quality features, and answer-aware supervision conditioned on the Answer Model prediction. In this way, iDiff jointly models discriminative decision making and structured explanation, improving both robustness and interpretability. Extensive experiments demonstrate the effectiveness of the proposed framework on both accuracy and reasoning-quality metrics. Our method achieved first place in the NTIRE 2026 RAIM challenge, showing the effectiveness of integrating explicit difference modeling with structured multimodal reasoning for pairwise IQA.

Deep reinforcement learning (DRL) has recently emerged as a promising approach to solve combinatorial optimization problems such as job shop scheduling. However, the policies learned by DRL are typically represented by deep neural networks (DNNs), whose opaque neural architectures and non-interpretable policy decisions can lead to critical trust and usability concerns for human decision makers. In addition, the computational requirements of DNNs can further hinder practical deployment in resource constrained environments. In this work, we propose ProRL, a novel interpretable programmatic reinforcement learning framework that achieves high-performance scheduling with human-readable and editable programmatic policies (i.e., programs). We first introduce a domain-specific language for scheduling (DSL-S) to represent scheduling strategies as structured programs. ProRL then explores the program space defined by DSL-S using local search to identify incomplete programs, which are subsequently completed by learning their parameters via Bayesian optimization. ProRL learns which scheduling heuristic rules to select, and hence, it naturally incorporates existing heuristics already used in industrial scenarios. Experiments on widely used benchmark instances demonstrate the strong performance of ProRL against existing heuristics and DRL baselines. Furthermore, ProRL performs well under strongly constrained computational resources, such as training with only 100 episodes. Our code is available at https://github.com/HcPlu/ProRL.

Prompt optimization has often been framed as a discrete search problem to find high-performing and robust instructions for a large language model (LLM). However, the search result might not make it transparent why and where specific prompt changes lead to performance gains. This is in contrast to how humans are instructed for annotation tasks. Here, researchers carefully design annotation guidelines, leading to enhanced annotation consistency. Our paper aims at joining these two approaches and introduces iPOE, a novel interpretable prompt optimization strategy via explanations. We guide the prompt optimization process by automatically created guidelines from explanations of annotation decisions (either automatically generated or from humans). This set of guidelines is furthermore optimized by a series of operations, including removing, adding, shuffling, and merging. The resulting prompt includes guidelines that instruct the annotation, making the decision process of the LLM and the optimization transparent. It therefore supports also laypeople in prompt optimization. In our experiments on four datasets, we find that iPOE can improve over the evaluated baselines by up to 39% and LLM explanations can replace human explanations in the proposed method. Moreover, our interpretability validation study demonstrates that humans and LLMs substantially agree on which guidelines contribute to their annotations, achieving a Cohen's kappa score between annotators and LLMs of up to 0.68, 0.80, and 0.95 for the emotion classification, medical fact-checking, and hate speech detection tasks respectively.

This paper presents an interpretable closed-loop Intelligent Tutoring System (ITS) that supports feedback-guided practice for developing on-camera oral presentation skills at scale. The system operationalizes a seven-dimensional Behaviorally Anchored Rating Scale (BARS) and implements a three-layer interpretable feedback architecture that connects rubric-aligned multimodal scoring, audience-perceived expressive diagnostics, and retrieval-augmented conversational coaching to support deliberate practice. Built on an XGBoost backbone, the ITS maps multimodal inputs (facial, vocal, textual, and oculomotor features) into evidence-based feedback that can be traced back to observable performance cues. Trained on 10,360 Massive Open Online Course (MOOC) video segments, the system achieved rubric-aligned scoring with performance levels comparable to expert ratings (R2 = 0.48-0.61, Spearman's rho = 0.69-0.78, MAE = 0.43-0.57). In a pre-post validation study with 204 adult learners over a 30-day practice window, participants demonstrated significant improvements across all seven BARS dimensions (Cohen's d = 0.39-0.90), with practice frequency showing a strong positive association with posttest performance after controlling for baseline scores and demographics. The results demonstrate how multimodal analytic outputs can be systematically transformed into observable behavioral change through an integrated feedback architecture, advancing explainable and pedagogically grounded ITS design for performance-based competencies.

The rapid evolution of digital health technologies is redefining healthcare services worldwide. The integration of wireless communication and Internet-enabled medical devices within Internet of Medical Things (IoMT) networks enables continuous, real-time patient monitoring. However, this increased connectivity raises cybersecurity and patient safety risks due to increasingly sophisticated cyberattacks. This paper proposes a novel on-device, interpretable Tsetlin Machine (TM)-based Intrusion Detection System (IDS) to identify various phases of cyberattacks in IoMT environments. The TM is a rule-driven and transparent machine learning (ML) approach that represents attack patterns using propositional logic. Extensive evaluations on the MedSec-25 dataset, encompassing various phases of realistic cyberattacks, show that the proposed model outperforms ML models, attaining an F1-score (macro) of 97.83%. Moreover, the proposed model offers explicit explanations of its decisions to enhance transparency using feature-level contributions, class-wise vote scores, and clause activation heatmaps. Edge deployment (Raspberry Pi) further supports real-time on-device inference and intrusion detection. The combination of interpretability and high performance makes the proposed model well-suited for IoMT healthcare, where trust, reliability, safety, and timely decision-making are critical.

Harmonized System (HS) tariff classification is a high-stakes, expert-level task in which a free-form product description must be mapped to a specific six- or eight-digit code under the General Interpretive Rules (GIR), section notes, chapter notes, and Explanatory Notes. The difficulty lies not in knowledge volume but in multi-dimensional rule reasoning: a correct classification must satisfy competing priority rules along several axes simultaneously, including material, form, function, essential character, the part-versus-whole boundary, and specific listing versus residual headings. End-to-end prompting of large language models fails characteristically by resolving one axis while ignoring the priority constraints on the others. We present a deterministic agentic workflow in contrast to self-planning agents: the control flow is fixed, language model calls are confined to narrow stages, and reflection and verification are retained as local mechanisms. This design yields interpretability by construction--each decision is decomposed into stage-wise structured outputs with verbatim citation of the chapter or section notes that bear on it. The architecture combines offline knowledge-engineering of the Chinese HS tariff with an online six-stage pipeline. Evaluated on HSCodeComp at the six-digit level, the workflow reaches 75.0% top-1 and 91.5% top-3 at four digits, and 64.2% top-1 and 78.3% top-3 at six digits with Qwen3.6-plus; an open-weight Qwen3.6-27B-FP8 backbone in non-thinking mode achieves 84.2% four-digit and 77.4% six-digit top-1 agreement with the frontier model. A two-stage manual audit of 226 six-digit disagreements suggests that a non-trivial fraction of HSCodeComp ground-truth labels may deviate from HS general rules; full adjudication records are released in the appendix as preliminary findings for community review.

Selective layer-wise updates are essential for low-cost continued pre-training of Large Language Models (LLMs), yet determining which layers to freeze or train remains an empirical black-box problem due to the lack of interpretable guidance. To address this issue, we propose LayerTracer, an architecture-agnostic diagnostic framework that reveals the evolution patterns of layer-wise representations and stability by locating task execution positions and quantifying layer sensitivity. Analysis results reveal that deep layers act as critical regions for task execution and maintain high stability against disruptive updates. Guided by this finding, we conduct three controlled continued pre-training trials to compare diverse freeze-train strategies, demonstrating that training shallow layers while freezing deep layers consistently outperforms full-parameter fine-tuning and the opposite allocation on both C-Eval and CMMLU benchmarks. We further present a hybrid model case study, which validates that placing high-quality pre-trained modules in deep layers effectively preserves inherent knowledge of the model. This work delivers a low-cost and interpretable solution for resource-constrained teams, offering actionable guidance for layer-wise parameter allocation in continued pre-training and hybrid model construction.

Fast surrogate models for expensive simulations are now essential across the sciences, yet they typically operate as black boxes. We present \texttt{GWAgent}, a large language model (LLM)-based workflow that constructs interpretable analytic surrogates directly from simulation data. Surrogate modeling is well suited to agentic workflows because candidate models can be quantitatively validated against ground-truth simulations at each iteration. As a demonstration, we build a surrogate for gravitational waveforms from eccentric binary black hole mergers. We show that providing the agent with a physics-informed domain ansatz substantially improves output model accuracy. The resulting analytic surrogate attains a median Advanced LIGO mismatch of $6.9\times10^{-4}$ together with an $\sim 8.4\times$ speedup in waveform evaluation, surpassing both symbolic regression and conventional machine learning baselines. Beyond producing an accurate model, the workflow identifies compact physical structure from the learned representation. As an astrophysical application, we use \texttt{GWAgent} to analyze the eccentricity of GW200129 and infer $e_{20\mathrm{Hz}}=0.099^{+0.063}_{-0.044}$. These results show that validation-constrained agentic workflows can produce accurate, fast, and interpretable surrogates for scientific simulations and inference.

Many three-dimensional spatial fields are anisotropic, with directions of rapid and slow variation that need not align with the coordinate axes. Standard Gaussian process kernels with Automatic Relevance Determination (ARD) capture only axis-aligned anisotropy, while generic full symmetric positive definite (SPD) metrics can represent rotated anisotropy but do not parameterise principal length-scales and directions directly. We introduce an interpretable rotationally anisotropic GP kernel that parameterises a three-dimensional SPD covariance metric using three principal length-scales and an explicit SO(3) rotation. The rotation is represented by an axis-angle vector and mapped to SO(3) via the Lie-algebra exponential map, giving unconstrained Euclidean coordinates for inference while always inducing a valid SPD metric. The construction spans the same family of three-dimensional SPD covariance metrics as a generic full-SPD parameterisation, but exposes the geometry differently: length-scales and orientation are explicit, interpretable, and directly available for prior specification and posterior summaries. We perform Bayesian inference on these quantities using Markov Chain Monte Carlo (MCMC), and characterise the resulting symmetries and weakly identified regimes. On synthetic data with rotated anisotropy, the posterior recovers the generating metric and improves prediction relative to an axis-aligned ARD baseline, while matching the predictive performance of a generic full SPD baseline. When the ground truth is axis-aligned, posterior mass concentrates near the identity rotation and predictive performance matches ARD. On a material-density dataset from a laboratory-fabricated nano-brick, the inferred metric reveals rotated anisotropy that is not captured by axis-aligned kernels.

Large language models possess strong chemical reasoning capabilities, making them effective molecular editors. However, property-relevant information is implicitly entangled across their dense hidden states, providing no explicit handle for property control: a substantial fraction of edits fail to improve or even degrade target properties. To address these issues, we propose SLIM (Sparse Latent Interpretable Molecular editing), a plug-and-play framework that decomposes the editor's hidden states into sparse, property-aligned features via a Sparse Autoencoder with learnable importance gates. Steering in this sparse feature space precisely activates property-relevant dimensions, improving editing success rate without modifying model parameters. The same sparse basis further supports interpretable analysis of editing behavior. Experiments on the MolEditRL benchmark across four model architectures and eight molecular properties show consistent gains over baselines, with improvements of up to 42.4 points.

As large language models span dense, mixture-of-experts, and state-space architectures and are deployed on heterogeneous accelerators under increasingly diverse multimodal workloads, optimising inference energy has become as critical as optimizing latency and throughput. Existing approaches either treat latency as an energy proxy or rely on data-hungry black-box surrogates. Both fail under varying parallelism strategies: latency and energy optima diverge in over 20% of configurations we tested, and black-box surrogates require hundreds of profiling samples to generalize across model families and hardware. We present EnergyLens, which uses symbolic regression as a structure-discovery tool over profiling data to derive a single twelve-parameter closed-form energy model expressed in terms of system properties such as degree of parallelism, batch size, and sequence length. Unlike black-box surrogates, EnergyLens decouples tensor and pipeline parallelism contributions and separates prefill from decode energy, making its predictions physically interpretable and actionable. Fitted from as few as 50 profiling measurements, EnergyLens achieves 88.2% Top-1 configuration selection accuracy across many evaluation scenarios compared to 60.9% for the closest prior analytical baseline, matches the predictive accuracy of ensemble ML methods with 10x fewer profiling samples, and extrapolates reliably to unseen batch sizes and hardware platforms without structural modification, making it a practical, interpretable tool for energy-optimal LLM deployment.

Sparse autoencoders have become a standard tool for uncovering interpretable latent representations in neural networks. Yet salient concepts often span manifolds that current linear methods cannot capture without post hoc analysis. This paper uses quadratic latents to close this gap: we implement these with bilinear autoencoders, which decompose activations into low-rank quadratic forms, compose linearly in weight space, and admit input-independent geometric analysis. This qualitative difference in what concepts quadratic latents can detect challenges the standard linear representation hypothesis. Our experiments and visualisations show that multi-dimensional geometries are highly prevalent and that composite latents capture them well, systematically improving reconstruction error in language models. Furthermore, we show that autoencoders with varying geometric priors recover the same input subspace despite their dictionary entries being distinct. Practically, these models serve as an unsupervised tool for manifold discovery, which we demonstrate through an interactive online visualizer for Qwen 3.5. This is a step toward nonlinear but mathematically tractable latent representations whose composition is expressive and interpretable by design.

Existing granular-ball generation methods are still mainly driven by handcrafted quality measures and heuristic splitting or stopping criteria, which may weaken the transparency of local generation decisions in clustering. To address this issue, this paper proposes Minimum Description Length based Granular-Ball Generation (MDL-GBG), a non-parametric and interpretable granular-ball generation method for clustering. MDL-GBG reformulates granular-ball generation as a local model selection problem under the Minimum Description Length principle. For each granular ball, three candidate explanations are compared, namely a single-ball model, a two-ball model, and a core-ball-plus-residual model, and the model with the shortest description length is selected. In this way, ball retention, splitting, and residual peeling are unified within a common coding-theoretic framework. A residual reassignment mechanism is further introduced to re-evaluate peeled-off boundary samples after stable granular-balls are formed. Experiments on 20 UCI datasets show that the stable granular-balls generated by MDL-GBG provide an effective upstream representation for clustering. In particular, MDL-GBG+AC achieves the best average ranks in ARI, ACC, and NMI among the compared methods. These results indicate that MDL-GBG offers a principled and interpretable alternative to heuristic granular-ball generation strategies.

Distributional treatment effects can be invisible to means: a treatment may preserve average outcomes while changing tails, modes, dispersion, or rare-event probabilities. Kernel tests can detect discrepancies between interventional outcome laws, but global tests do not reveal where the laws differ. We propose DR-ME, to our knowledge the first semiparametrically efficient finite-location test for interpretable distributional treatment effects. DR-ME evaluates an interventional kernel witness at learned outcome locations, returning causal-discrepancy coordinates rather than only a global rejection. From observational data, we derive orthogonal doubly robust kernel features whose centered oracle form is the canonical gradient of this finite witness. For fixed locations, we characterize the local testing limit: DR-ME is chi-square calibrated under the null, has noncentral chi-square local power, and uses the covariance whitening that optimizes local signal-to-noise for discrepancies visible through the selected coordinates. This efficient local-power geometry yields a principled location-learning criterion, with sample splitting preserving post-selection validity. Experiments show near-nominal type-I error, competitive power against global doubly robust kernel tests, and interpretable learned locations that localize distributional effects in a semi-synthetic medical-imaging study.

Evaluation of large language models (LLMs) is increasingly critical, yet standard benchmarking methods rely on average accuracy, overlooking both the inherent stochasticity of LLM outputs and the heterogeneity of benchmark items. Item Response Theory (IRT) offers a principled framework for modeling latent model abilities and item characteristics, but conventional methods are computationally expensive and numerically unstable, limiting large-scale implementations. To address these challenges, we propose an interpretable and scalable framework for LLM evaluation based on the majorization-minimization principle. Our approach reformulates the problem as a sequence of constrained matrix factorization subproblems, enabling stable and efficient parameter estimation with theoretical guarantees for identifiability and convergence. Experiments on synthetic and real-world datasets, including MATH-500 and six Open LLM Leaderboard benchmarks, demonstrate that our method achieves superior scalability and interpretability. It delivers orders-of-magnitude speedups over competing methods while maintaining comparable or even higher estimation accuracy. Our results align with established scaling laws and offer insights into item difficulty and discrimination, informing more principled benchmark design.

To address module fragmentation, uninterpretable mappings, and deployment constraints in RAW-domain demosaicing, color correction, and detail enhancement, this paper proposes RPBA-Net, an interpretable residual pyramid bilateral affine network for RAW-domain ISP enhancement. Given packed RAW as input, the method performs residual affine base reconstruction by estimating a base RGB representation and learning identity-guided residual affine corrections, thereby unifying demosaicing and enhancement. It further builds pyramid bilateral affine grids and combines guide-driven autoregressive adaptive slicing with adaptive cross-layer fusion to hierarchically model global tone restoration and local texture enhancement. In addition, smoothness, cross-scale consistency, and magnitude regularization terms are introduced to improve model stability, controllability, and structural interpretability. Extensive experiments demonstrate that RPBA-Net surpasses representative RAW-to-sRGB methods and achieves state-of-the-art performance in reconstruction fidelity and perceptual quality, while maintaining low model complexity and strong deployment potential for mobile and embedded platforms.

A central challenge in computational catalysis is the identification of low-energy and chemically plausible adsorption configurations, as these directly affect adsorption energies, reaction pathways, and catalytic performance. Existing approaches generally rely on enumerating candidate adsorption sites followed by iterative refinement through density functional theory calculations or machine-learning-based relaxations. However, such workflows remain computationally expensive and are difficult to scale to complex surfaces or multi-adsorbate systems. Here, we introduce Meta-LegNet, a graph learning framework that combines SE(3)-equivariant atom-level message passing with voxel-based multiscale aggregation and cross-domain meta-learning to learn transferable representations of local adsorption environments across diverse catalyst--adsorbate systems. Rather than following a conventional regression-only paradigm, Meta-LegNet encodes local chemical environments using invariant radial features and equivariant directional information, and further incorporates broader structural context through coordinate-frame voxel pooling, assignment-based upsampling, and gated feature fusion. The resulting local-global decomposition produces atom-resolved attribution maps, which are processed to identify adsorption-relevant local environments in an interpretable manner. Based on the learned representations, we further construct an adsorption-environment database and develop a template-matching strategy to propose likely adsorption sites on previously unexplored surfaces without exhaustive site enumeration. Overall, our results suggest that learning transferable adsorption environments provides an accurate, interpretable, and practical route for accelerating catalyst screening.

Motion forecasting often requires trading interpretability for predictive accuracy. Standard anchor-based architectures rely on opaque latent queries that are highly prone to latent collapse, or naive trajectory sampling that limits multi-modal diversity. We propose an end-to-end differentiable framework that grounds predictions in a comprehensive "motion bank", a structured embedding space of physically realizable trajectories constructed via contrastive learning. Rather than regressing paths from a blank slate, our architecture dynamically retrieves explicit motion priors using a novel Anchor Retrieval Layer. This module adapts orthogonally initialized queries via a Dual-Level Gated Cross-Attention mechanism and executes discrete trajectory selection using a Straight-Through Gumbel-Softmax estimator to preserve continuous gradient flow. The retrieved semantically grounded anchors are then geometrically refined by a DETR-style decoder, optimized jointly with a Winner-Takes-All (WTA) kinematic Gaussian Mixture Model (GMM), a latent diversity penalty, and a soft-min weighted endpoint loss. By strictly conditioning the decoding phase on diverse, interpretable motion primitives, our approach eliminates the "black box" of standard latent queries while achieving competitive multi-modal accuracy on the Argoverse 2 and Waymo Open Motion datasets. Code is available at: https://github.com/abviv/recall2predict

Background: Timely, uncertainty-aware forecasting from irregular electronic health records (EHR) can support critical-care decisions, yet most approaches either impute to a grid or sacrifice interpretability. We introduce StructGP, a continuous-time multi-task Gaussian process that couples process convolutions with differentiable structure learning to uncover a sparse, ordered directed acyclic graph (DAG) of inter-variable dependencies while preserving principled uncertainty. We further propose LP-StructGP, which augments StructGP with latent pathways-shared, temporally shifted trajectories inferred via subject-specific coupling filters and a softmax gating mechanism-to capture cross-patient progression patterns. Both models are trained under sparsity and acyclicity constraints (augmented Lagrangian, Adam) using scalable low-rank updates. Results: In simulations, the approach reliably recovers ground-truth graphs (Structural Hamming Distance approaching 0 as cohorts grow) and pathway assignments (high Adjusted Rand Index). On a MIMIC-IV septic shock cohort (n=1,008; norepinephrine, creatinine, mean arterial pressure), StructGP improves short-horizon (6 h) forecasting over independent-task baselines (average RMSE 0.68 [95%CI: 0.63--0.74] vs. 0.88 [0.83-0.94]) and, with 15 additional inputs, markedly outperforms unstructured kernels (0.63 [0.58-0.69] vs. 3.02 [2.85-3.18]) with superior calibration (coverage 0.96 vs. 0.84). On the PhysioNet Challenge (12k patients, 41 variables), StructGP attains competitive accuracy (MAE 3.72e-2) relative to a state-of-the-art graph neural model while maintaining calibrated uncertainty. Conclusion: These results show that structured process convolutions with latent pathways deliver interpretable, scalable, and well-calibrated forecasting for irregular clinical time series.

Patient simulators are gaining traction in mental health training by providing scalable exposure to complex and sensitive patient interactions. Simulating depressed patients is particularly challenging, as safety constraints and high patient variability complicate simulations and underscore the need for simulators that capture diverse and realistic patient behaviors. However, existing evaluations heavily rely on LLM-judges with poorly specified prompts and do not assess behavioral diversity. We introduce PSI-Bench, an automatic evaluation framework that provides interpretable, clinically grounded diagnostics of depression patient simulator behavior across turn-, dialogue-, and population-level dimensions. Using PSI-Bench, we benchmark seven LLMs across two simulator frameworks and find that simulators produce overly long, lexically diverse responses, show reduced variability, resolve emotions too quickly, and follow a uniform negative-to-positive trajectory. We also show that the simulation framework has a larger impact on fidelity than the model scale. Results from a human study demonstrate that our benchmark is strongly aligned with expert judgments. Our work reveals key limitations of current depression patient simulators and provides an interpretable, extensible benchmark to guide future simulator design and evaluation.

Imbalanced classification remains a pervasive challenge in machine learning, particularly when minority samples are too scarce to provide a robust discriminative boundary. In such extreme scenarios, conventional models often suffer from unstable decision boundaries and a lack of reliable error control. To bridge the gap between generative modeling and discriminative classification, we propose a two-stage framework \textbf{VAE-Inf} that integrates deep representation learning with statistically interpretable hypothesis testing. In the first stage, we adopt a one-class modeling perspective by training a variational autoencoder (VAE) exclusively on majority-class data to capture the underlying reference distribution. The resulting latent posteriors are aggregated via a Wasserstein barycenter to construct a global Gaussian reference model, providing a geometrically principled baseline for the majority class. In the second stage, we transform this generative foundation into a discriminative classifier by fine-tuning the encoder with limited minority samples. This is achieved through a novel distribution-aware loss that enforces probabilistic separation between classes based on variance-normalized projection statistics. For inference, we introduce a projection-based score that admits a natural hypothesis testing interpretation, allowing for a distribution-free calibration procedure. This approach yields exact finite-sample control of the Type-I error (false positive rate) without relying on restrictive parametric assumptions. Extensive experiments on diverse real-world benchmarks demonstrate that our framework achieves competitive performance against other approaches. The codes are available upon request.