Papers

We present EmBolic - a novel fully hyperbolic deep learning architecture for fine-grained emotion analysis from textual messages. The underlying idea is that hyperbolic geometry efficiently captures hierarchies between both words and emotions. In our context, these hierarchical relationships arise from semantic ambiguities. EmBolic aims to infer the curvature on the continuous space of emotions, rather than treating them as a categorical set without any metric structure. In the heart of our architecture is the attention mechanism in the hyperbolic disc. The model is trained to generate queries (points in the hyperbolic disc) from textual messages, while keys (points at the boundary) emerge automatically from the generated queries. Predictions are based on the Busemann energy between queries and keys, evaluating how well a certain textual message aligns with the class directions representing emotions. Our experiments demonstrate strong generalization properties and reasonably good prediction accuracy even for small dimensions of the representation space. Overall, this study supports our claim that affective computing is one of the application domains where hyperbolic representations are particularly advantageous.

We study offline learning in KL-regularized two-player zero-sum games, where policies are optimized with respect to a fixed reference policy through KL regularization. Prior work relies on pessimistic value estimation to handle distribution shift, yielding only $\widetilde{\mathcal{O}}(1/\sqrt n)$ statistical rates. We develop a new pessimism-free algorithm and analytical framework for KL-regularized games, built on the smoothness of KL-regularized best responses and a stability property of the Nash equilibrium induced by skew symmetry. This yields, to our knowledge, the first pessimism-free offline learning guarantee for KL-regularized games, with a fast $\widetilde{\mathcal{O}}(1/n)$ sample complexity bound. We further propose an efficient self-play policy optimization algorithm that replaces exact equilibrium computation with iterative KL-regularized policy updates, and prove that its last iterate preserves the same pessimism-free statistical guarantee up to a controlled optimization error.

Recent developments in hardware, such as photonic integrated circuits and optical devices, are driving demand for research on constructing machine learning architectures tailored for linear operations. Hence, it is valuable to explore methods for constructing learning machines with only linear operations after simple nonlinear preprocessing. In this study, we propose a framework to extract a linearized model from a pre-trained neural network for classification tasks by integrating Koopman operator theory with knowledge distillation. Numerical demonstrations on the MNIST and the Fashion-MNIST datasets reveal that the proposed model consistently outperforms the conventional least-squares-based Koopman approximation in both classification accuracy and numerical stability.

Heterogeneity in time series data is more pronounced than in vision or language, as temporal dynamics vary substantially across domains and tasks. Existing efforts on training time series foundation models (TSFMs) from scratch are often trained with mixed-batch strategies that merge large-scale datasets, which can cause gradient conflicts and degrade representation quality. To address this, we propose a fine-grained learning method that distills invariant knowledge from heterogeneous series while reducing cross-domain interference. We characterize heterogeneity at two levels: inter-domain and intra-domain. To tackle this bi-level heterogeneity, we design a federated learning method that mitigates intra-domain conflicts by enforcing domain-invariant and semantically consistent representations through local regularization, and addresses inter-domain discrepancies by enhancing cross-domain collaboration via domain-aware aggregation. Experiments across diverse benchmarks show that TSFMs trained with our method consistently outperform both centralized and federated TSFM baselines in point and probabilistic forecasting, while also achieving competitive zero-shot performance at scale, offering a flexible pathway for training TSFMs from scratch in heterogeneous environments.

Repurchase behavior is a primary signal in large-scale retail recommendation, particularly in categories with frequent replenishment: many items in a user's next basket were previously purchased, and their timing follows stable, item-specific cadences. Yet most next basket repurchase recommendation models represent history as a sequence of discrete basket events indexed by visit order, which cannot explicitly model elapsed calendar time or update item rankings as days pass between purchases. We present CASE (Cadence-Aware Set Encoding) for next basket repurchase recommendation, which decouples item-level cadence learning from cross-item interaction, enabling explicit calendar-time modeling while remaining production-scalable. CASE represents each item's purchase history as a calendar-time signal over a fixed horizon, applies shared multi-scale temporal convolutions to capture recurring rhythms, and uses induced set attention to model cross-item dependencies with sub-quadratic complexity, allowing efficient batch inference at scale. Across three public benchmarks and a proprietary dataset, CASE consistently improves precision, recall, and NDCG at multiple cutoffs compared to strong next basket recommendation baselines. In a production-scale evaluation with tens of millions of users and a large item catalog, CASE achieves up to 8.6% relative precision lift and 9.9% relative recall lift at top-5, showing that scalable cadence-aware modeling yields measurable gains in both benchmark and industrial settings.

AI applications driven by multimodal large language models (MLLMs) are prone to hallucinations and pose considerable risks to human users. Crucially, such hallucinations are not equally problematic: some hallucination contents could be detected by human users(i.e., obvious hallucinations), while others are often missed or require more verification effort(i.e., elusive hallucinations). This indicates that multimodal AI hallucinations vary significantly in their verifiability. Yet, little research has explored how to control this property for AI applications with diverse security and usability demands. To address this gap, we construct a dataset from 4,470 human responses to AI-generated hallucinations and categorize these hallucinations into obvious and elusive types based on their verifiability by human users. Further, we propose an activation-space intervention method that learns separate probes for obvious and elusive hallucinations. We reveal that obvious and elusive hallucinations elicit different intervention probes, allowing for fine-grained control over the model's verifiability. Empirical results demonstrate the efficacy of this approach and show that targeted interventions yield superior performance in regulating corresponding verifiability. Moreover, simply mixing these interventions enables flexible control over the verifiability required for different scenarios.

Autoencoders are widely used for dimensionality reduction, based on the assumption that high-dimensional data lies on low-dimensional manifolds. Regularized autoencoders aim to preserve manifold geometry during dimensionality reduction, but existing approaches often suffer from non-injective mappings and overly rigid constraints that limit their effectiveness and robustness. In this work, we identify encoder non-injectivity as a core bottleneck that leads to poor convergence and distorted latent representations. To ensure robustness across data distributions, we formalize the concept of admissible regularization and provide sufficient conditions for its satisfaction. In this work, we propose the Bi-Lipschitz Autoencoder (BLAE), which introduces two key innovations: (1) an injective regularization scheme based on a separation criterion to eliminate pathological local minima, and (2) a bi-Lipschitz relaxation that preserves geometry and exhibits robustness to data distribution drift. Empirical results on diverse datasets show that BLAE consistently outperforms existing methods in preserving manifold structure while remaining resilient to sampling sparsity and distribution shifts. Code is available at https://github.com/qipengz/BLAE.

Automated prompt optimization is crucial for eliciting reliable reasoning from large language models (LLMs), yet most API-only prompt optimizers iteratively edit monolithic prompts, coupling components and obscuring credit assignment, limiting controllability, and wasting tokens. We propose Adaptive Prompt Structure Factorization (aPSF), an API-only framework (prompt-in/text-out; no access to model internals) that uses an Architect model to discover task-specific prompt structures as semantic factors. aPSF then performs interventional, single-factor updates: interventional factor-level scoring estimates each factor's marginal contribution via validation-performance changes, and error-guided factor selection routes updates to the current dominant failure source for more sample-efficient optimization. Across multiple advanced reasoning benchmarks, aPSF outperforms strong baselines including principle-aware optimizers, improving accuracy by up to +2.16 percentage points on average, and reduces optimization cost by 45–87% tokens on MultiArith while reaching peak validation in 1 step.

Cross-entropy (CE) is the default training loss for supervised classification, but its sample efficiency is limited when labels are scarce. Existing remedies primarily act on the data side, via augmentation, synthesis, or transfer from pretrained models; the training objective itself is rarely revisited. We revisit it here. Drawing on the classical observation that generative classifiers reach their asymptotic error with fewer samples than discriminative ones, we propose Generative Cross-Entropy (GenCE), a drop-in replacement for CE that introduces a generative learning principle into a standard discriminative network without altering the architecture or fitting a separate density model. GenCE follows from a Bayesian rewrite of the class-conditional likelihood and, in the mini-batch approximation, reduces to normalizing each sample's softmax score against the model's predictions on the batch, coupling the training signal across examples sharing a class. We extend the proper-scoring-rule framework to such non-local losses and prove that GenCE is strictly proper under a mild completeness condition: its population risk is uniquely minimized at the true posterior. Across three datasets, on two architectures and in both balanced small-data and class-imbalanced regimes, GenCE outperforms CE and other widely used losses, while also producing better-calibrated probabilities and stronger out-of-distribution detection.

Clinical reasoning over electronic health records (EHRs) is a fundamental yet challenging task in modern healthcare. While large language models (LLMs) offer a promising paradigm via in-context demonstrations that requires no task-specific parameter updates, existing methods for reasoning by patient analogy in EHR settings suffer from three core limitations: (1) Perspective Limitation, where data-driven similarity misaligns with LLM reasoning needs while model-driven signals are constrained by limited clinical competence; (2) Cohort Awareness, as demonstrations are selected independently without modeling population-level structure; and (3) Information Aggregation, where redundancy and interaction effects among demonstrations are ignored. We propose GraphWalker, a training-free framework that lets frozen LLMs reason by analogy over retrieved patient cases. GraphWalker (i) jointly leverages data-driven and model-driven perspectives, (ii) discovers patient cohorts to ground retrieval in population-level structure, and (iii) employs a lazy greedy search with frontier expansion to compose demonstrations with high marginal information gain. Extensive experiments on multiple real-world EHR benchmarks show that GraphWalker consistently outperforms state-of-the-art demonstration selection baselines, and remains substantially more robust under cross-dataset distribution shift, without task-specific parameter updates. GraphWalker further generalizes to black-box LLMs and composes naturally with agentic reasoning frameworks, positioning it as a pluggable patient-analogy skill in LLM-based clinical workflows. Our code is available at https://github.com/PuppyKnightUniversity/GraphWalker.

Modern LLM service providers increasingly rely on autoscaling and parallelism reconfiguration to respond to rapidly changing workloads, but cold-start latency remains a major bottleneck. While recent systems have reduced model weight loading to seconds, CUDA graph capture still takes tens of seconds to minutes and often dominates startup. Unfortunately, CUDA graphs cannot be naively serialized: beyond graph topology, they are tightly coupled to execution context, including device addresses embedded in kernel arguments and kernel code lazily loaded during warmup. Existing approaches either rely on brittle kernel-specific patching or heavyweight process-level checkpoint/restore that are inflexible to dynamic parallelism switching. We present Foundry, a template-based CUDA graph context materialization system that persists both graph topology and execution context during an offline processing stage, and reconstructs executable graphs online with negligible overhead. Foundry enforces deterministic memory layouts, automatically extracts and reloads kernel binaries required by captured graphs, and reduces online reconstruction costs through topology-based templating. For distributed serving, Foundry further enables a single-GPU offline capture to generate templates for multi-GPU deployments by patching only rank-dependent communication state. Across dense and MoE models up to 235B parameters, Foundry reduces cold-start latency by up to 99%, cutting the initialization time of Qwen3-235B-A22B from 10 minutes to 3.9 seconds while preserving the throughput gains of CUDA graphs.

Generated contents have raised serious concerns about copyright protection, image provenance, and credit attribution. A potential solution for these problems is watermarking. Recently, content watermarking for text-to-image diffusion models has been studied extensively for its effective detection utility and robustness. However, these watermarking techniques are vulnerable to potential adversarial attacks, such as removal attacks and forgery attacks. In this paper, we build a novel watermarking paradigm called Instance-Specific watermarking with Two-Sided detection (ISTS) to resist removal and forgery attacks. Specifically, we introduce a strategy that dynamically controls the injection time and watermarking patterns based on the semantics of users' prompts. Furthermore, we propose a new two-sided detection approach to enhance robustness in watermark detection. Experiments have demonstrated the superiority of our watermarking against removal and forgery attacks.

Adaptive moment methods such as Adam use a diagonal, coordinate-wise preconditioner based on exponential moving averages of squared gradients. This diagonal scaling is coordinate-system dependent and can struggle with dense or rotated parameter couplings, including those in matrix factorization, tensor decomposition, and graph neural networks, because it treats each parameter independently. We introduce FlowAdam, a hybrid optimizer that augments Adam with continuous gradient-flow integration via an ordinary differential equation (ODE). When EMA-based statistics detect landscape difficulty, FlowAdam switches to clipped ODE integration. Our central contribution is Soft Momentum Injection, which blends ODE velocity with Adam's momentum during mode transitions. This prevents the training collapse observed with naive hybrid approaches. Across coupled optimization benchmarks, the ODE integration provides implicit regularization, reducing held-out error by 10-22% on low-rank matrix/tensor recovery and 6% on Jester (real-world collaborative filtering), also surpassing tuned Lion and AdaBelief, while matching Adam on well-conditioned workloads (CIFAR-10). MovieLens-100K confirms benefits arise specifically from coupled parameter interactions rather than bias estimation. Ablation studies show that soft injection is essential, as hard replacement reduces accuracy from 100% to 82.5%.

As deep learning inference is increasingly deployed in shared and cloud-based settings, a growing concern is input repurposing, in which data submitted for one task is reused by unauthorized models for another. Existing privacy defenses largely focus on restricting data access, but provide limited control over what downstream uses a released representation can still support. We propose a feature extraction framework that suppresses cross-model transfer while preserving accuracy for a designated classifier. The framework employs a variational latent bottleneck, trained with a task-driven cross-entropy objective and KL regularization, but without any pixel-level reconstruction loss, to encode inputs into a compact latent space. A dynamic binary mask, computed from per-dimension KL divergence and gradient-based saliency with respect to the frozen target model, suppresses latent dimensions that are uninformative for the intended task. Because saliency computation requires gradient access, the encoder is trained in a white-box setting, whereas inference requires only a forward pass through the frozen target model. On CIFAR-100, the processed representations retain strong utility for the designated classifier while reducing the accuracy of all unintended classifiers to below 2%, yielding a suppression ratio exceeding 45 times relative to unintended models. Preliminary experiments on CIFAR-10, Tiny ImageNet, and Pascal VOC provide exploratory evidence that the approach extends across task settings, although further evaluation is needed to assess robustness against adaptive adversaries.

Process supervision has emerged as a promising approach for enhancing LLM reasoning, yet existing methods fail to distinguish meaningful progress from mere verbosity, leading to limited reasoning capabilities and unresolved token inefficiency. To address this, we propose Stage-aware Hierarchical Advantage via Potential Estimation (SHAPE), a framework that formalizes reasoning as a trajectory through a state space of empirical solvability. SHAPE introduces a hierarchical credit assignment mechanism: at the segment level, it employs a stage-aware advantage function to prioritize efficient breakthroughs in low-potential states; at the token level, it utilizes entropy-driven redistribution to sharpen execution signals. Extensive experiments in math reasoning across three base models and five benchmarks demonstrate that SHAPE achieves an average accuracy gain of 3% with 30% reduced token consumption.

Federated Learning (FL) enables collaborative model training while preserving data privacy, but its practical deployment is hampered by system and statistical heterogeneity. While federated network pruning offers a path to mitigate these issues, existing methods face a critical dilemma: server-side pruning lacks personalization, whereas client-side pruning is computationally prohibitive for resource-constrained devices. Furthermore, the pruning process itself induces significant parametric divergence among heterogeneous submodels, destabilizing training and hindering global convergence. To address these challenges, we propose SubFLOT, a novel framework for server-side personalized federated pruning. SubFLOT introduces an Optimal Transport-enhanced Pruning (OTP) module that treats historical client models as proxies for local data distributions, formulating the pruning task as a Wasserstein distance minimization problem to generate customized submodels without accessing raw data. Concurrently, to counteract parametric divergence, our Scaling-based Adaptive Regularization (SAR) module adaptively penalizes a submodel's deviation from the global model, with the penalty's strength scaled by the client's pruning rate. Comprehensive experiments demonstrate that SubFLOT consistently and substantially outperforms state-of-the-art methods, underscoring its potential for deploying efficient and personalized models on resource-constrained edge devices.

Dr. David Blackwell was a mathematician and statistician of the first rank, whose contributions to statistical theory, game theory, and decision theory predated many of the algorithmic breakthroughs that define modern artificial intelligence. This survey examines three of his most consequential theoretical results the Rao Blackwell theorem, the Blackwell Approachability theorem, and the Blackwell Informativeness theorem (comparison of experiments) and traces their direct influence on contemporary AI and machine learning. We show that these results, developed primarily in the 1940s and 1950s, remain technically live across modern subfields including Markov Chain Monte Carlo inference, autonomous mobile robot navigation (SLAM), generative model training, no-regret online learning, reinforcement learning from human feedback (RLHF), large language model alignment, and information design. NVIDIAs 2024 decision to name their flagship GPU architecture (Blackwell) provides vivid testament to his enduring relevance. We also document an emerging frontier: explicit Rao Blackwellized variance reduction in LLM RLHF pipelines, recently proposed but not yet standard practice. Together, Blackwell theorems form a unified framework addressing information compression, sequential decision making under uncertainty, and the comparison of information sources precisely the problems at the core of modern AI.

Quantitative estimation of wheel polygonal roughness from axle-box vibration signals is a challenging yet practically relevant problem for rail-vehicle condition monitoring. Existing studies have largely focused on detection, identification, or severity classification, while continuous regression of multi-order roughness spectra remains less explored, especially under real operational data and unseen-wheel conditions. To address this problem, this paper presents PD-SOVNet, a physics-guided gray-box framework that combines shared second-order vibration kernels, a $4\times4$ MIMO coupling module, an adaptive physical correction branch, and a Mamba-based temporal branch for estimating the 1st–40th-order wheel roughness spectrum from axle-box vibrations. The proposed design embeds modal-response priors into the model while retaining data-driven flexibility for sample-dependent correction and residual temporal dynamics. Experiments on three real-world datasets, including operational data and real fault data, show that the proposed method provides competitive prediction accuracy and relatively stable cross-wheel performance under the current data protocol, with its most noticeable advantage observed on the more challenging Dataset III. Noise injection experiments further indicate that the Mamba temporal branch helps mitigate performance degradation under perturbed inputs. These results suggest that structured physical priors can be beneficial for stabilizing roughness regression in practical rail-vehicle monitoring scenarios, although further validation under broader operating conditions and stricter comparison protocols is still needed.

Prompt learning has gained significant attention as a parameter-efficient approach for adapting large pre-trained vision-language models to downstream tasks. However, when only partial labels are available, its performance is often limited by label ambiguity and insufficient supervisory information. To address this issue, we propose Holistic Optimal Label Selection (HopS), leveraging the generalization ability of pre-trained feature encoders through two complementary strategies. First, we design a local density-based filter that selects the top frequent labels from the nearest neighbors' candidate sets and uses the softmax scores to identify the most plausible label, capturing structural regularities in the feature space. Second, we introduce a global selection objective based on optimal transport that maps the uniform sampling distribution to the candidate label distributions across a batch. By minimizing the expected transport cost, it can determine the most likely label assignments. These two strategies work together to provide robust label selection from both local and global perspectives. Extensive experiments on eight benchmark datasets show that HopS consistently improves performance under partial supervision and outperforms all baselines. Those results highlight the merit of holistic label selection and offer a practical solution for prompt learning in weakly supervised settings.

Modern reasoning models continue generating long after the answer is already determined. Across five model configurations, two families, and three benchmarks, we find that 52–88% of chain-of-thought tokens are produced after the answer is recoverable from a partial prefix. This post-commitment generation reveals a structural phenomenon: the detection-extraction gap. Free continuations from early prefixes recover the correct answer even at 10% of the trace, while forced extraction fails on 42% of these cases. The answer is recoverable from the model state, yet prompt-conditioned decoding fails to extract it. We formalize this mismatch via a total-variation bound between free and forced continuation distributions, yielding quantitative estimates of suffix-induced shift. Exploiting this asymmetry, we propose Black-box Adaptive Early Exit (BAEE), which uses free continuations for both detection and extraction, truncating 70–78% of serial generation while improving accuracy by 1–5pp across all models. For thinking-mode models, early exit prevents post-commitment overwriting, yielding gains of up to 5.8pp; a cost-optimized variant achieves 68–73% reduction at a median of 9 API calls. Code is available at https://github.com/EdWangLoDaSc/know2say.

Shape optimisation of thin-shell structures requires a flexible, differentiable geometric representation suitable for gradient-based optimisation. We propose a neural parametric geometry representation (NRep) for shells based on a neural network with periodic activation functions. The NRep is defined using a multi-layer perceptron (MLP), which maps the parametric coordinates of mid-surface vertices to their physical coordinates. A structural compliance optimisation problem is posed to optimise the shape of a thin-shell parameterised by the NRep subject to a volume constraint, with the network parameters as design variables. The resulting shape optimisation problem is solved using a gradient-based optimisation algorithm. Benchmark examples with classical solutions and comparisons with the free-form deformation method demonstrate that the proposed NRep is capable of representing shell geometries with local geometric features using a small set of network parameters. The robustness of the approach has been demonstrated with different initial geometries, boundary conditions and neural network hyperparameters. The approach also exhibits potential for complex lattice-skin structures, owing to the compact and expressive geometry representation afforded by the NRep.

Decentralised online learning enables runtime adaptation in cyber-physical multi-agent systems, but when operating conditions change, learned policies often require substantial trial-and-error interaction before recovering performance. To address this, we propose TwinLoop, a simulation-in-the-loop digital twin framework for online multi-agent reinforcement learning. When a context shift occurs, the digital twin is triggered to reconstruct the current system state, initialise from the latest agent policies, and perform accelerated policy improvement with simulation what-if analysis before synchronising updated parameters back to the agents in the physical system. We evaluate TwinLoop in a vehicular edge computing task-offloading scenario with changing workload and infrastructure conditions. The results suggest that digital twins can improve post-shift adaptation efficiency and reduce reliance on costly online trial-and-error.

Semi-supervised learning aims to infer class labels using only a small fraction of labeled data. In graph-based semi-supervised learning, this is typically achieved through label propagation to predict labels of unlabeled nodes. However, in real-world applications, data often arrive incrementally in batches. Each time a new batch appears, reapplying the traditional label propagation algorithm to recompute all labels is redundant, computationally intensive, and inefficient. To address the absence of an efficient label propagation update method, we propose DynLP, a novel GPU-centric Dynamic Batched Parallel Label Propagation algorithm that performs only the necessary updates, propagating changes to the relevant subgraph without requiring full recalculation. By exploiting GPU architectural optimizations, our algorithm achieves on average 13x and upto 102x speedup on large-scale datasets compared to state-of-the-art approaches.

Missing-person and child-safety investigations rely on heterogeneous case documents, including structured forms, bulletin-style posters, and narrative web profiles. Variations in layout, terminology, and data quality impede rapid triage, large-scale analysis, and search-planning workflows. This paper introduces the Guardian Parser Pack, an AI-driven parsing and normalization pipeline that transforms multi-source investigative documents into a unified, schema-compliant representation suitable for operational review and downstream spatial modeling. The proposed system integrates (i) multi-engine PDF text extraction with Optical Character Recognition (OCR) fallback, (ii) rule-based source identification with source-specific parsers, (iii) schema-first harmonization and validation, and (iv) an optional Large Language Model (LLM)-assisted extraction pathway incorporating validator-guided repair and shared geocoding services. We present the system architecture, key implementation decisions, and output design, and evaluate performance using both gold-aligned extraction metrics and corpus-level operational indicators. On a manually aligned subset of 75 cases, the LLM-assisted pathway achieved substantially higher extraction quality than the deterministic comparator (F1 = 0.8664 vs. 0.2578), while across 517 parsed records per pathway it also improved aggregate key-field completeness (96.97% vs. 93.23%). The deterministic pathway remained much faster (mean runtime 0.03 s/record vs. 3.95 s/record for the LLM pathway). In the evaluated run, all LLM outputs passed initial schema validation, so validator-guided repair functioned as a built-in safeguard rather than a contributor to the observed gains. These results support controlled use of probabilistic AI within a schema-first, auditable pipeline for high-stakes investigative settings.

High-dimensional hyperspectral imaging (HSI) enables the visualization of ultrafast molecular dynamics and complex, heterogeneous spectra. However, applying this capability to resolve spatially varying vibrational couplings in two-dimensional infrared (2DIR) spectroscopy, a type of coherent multidimensional spectroscopy (CMDS), necessitates prohibitively long data acquisition, driven by dense Nyquist sampling requirements and the need for extensive signal accumulation. To address this challenge, we introduce a physics-informed neural representation approach that efficiently reconstructs dense spatially-resolved 2DIR hyperspectral images from sparse experimental measurements. In particular, we used a multilayer perceptron (MLP) to model the relationship between the sub-sampled 4D coordinates and their corresponding spectral intensities, and recover densely sampled 4D spectra from limited observations. The reconstruction results demonstrate that our method, using a fraction of the samples, faithfully recovers both oscillatory and non-oscillatory spectral dynamics in experimental measurement. Moreover, we develop a loss-aware adaptive sampling method to progressively introduce potentially informative samples for iterative data collection while conducting experiments. Experimental results show that the proposed approach achieves high-fidelity spectral recovery using only $1/32$ of the sampling budget, as opposed to exhaustive sampling, effectively reducing total experiment time by up to 32-fold. This framework offers a scalable solution for accelerating any experiments with hypercube data, including multidimensional spectroscopy and hyperspectral imaging, paving the way for rapid chemical imaging of transient biological and material systems.

Understanding and explaining the structure of generated test inputs is essential for effective software testing and debugging. Existing approaches–including grammar-based fuzzers, probabilistic Context-Free Grammars (pCFGs), and Large Language Models (LLMs)–suffer from critical limitations. They frequently produce ill-formed inputs that fail to reflect realistic data distributions, struggle to capture context-sensitive probabilistic dependencies, and lack explainability. We introduce ExplainFuzz, a test generation framework that leverages Probabilistic Circuits (PCs) to learn and query structured distributions over grammar-based test inputs interpretably and controllably. Starting from a Context-Free Grammar (CFG), ExplainFuzz compiles a grammar-aware PC and trains it on existing inputs. New inputs are then generated via sampling. ExplainFuzz utilizes the conditioning capability of PCs to incorporate test-specific constraints (e.g., a query must have GROUP BY), enabling constrained probabilistic sampling to generate inputs satisfying grammar and user-provided constraints. Our results show that ExplainFuzz improves the coherence and realism of generated inputs, achieving significant perplexity reduction compared to pCFGs, grammar-unaware PCs, and LLMs. By leveraging its native conditioning capability, ExplainFuzz significantly enhances the diversity of inputs that satisfy a user-provided constraint. Compared to grammar-aware mutational fuzzing, ExplainFuzz increases bug-triggering rates from 35% to 63% in SQL and from 10% to 100% in XML. These results demonstrate the power of a learned input distribution over mutational fuzzing, which is often limited to exploring the local neighborhood of seed inputs. These capabilities highlight the potential of PCs to serve as a foundation for grammar-aware, controllable test generation that captures context-sensitive, probabilistic dependencies.

We present the first systematic study of when target context helps molecular property prediction, evaluating context conditioning across 10 diverse protein families, 4 fusion architectures, data regimes spanning 67-9,409 training compounds, and both temporal and random evaluation splits. Using NestDrug, a FiLM-based architecture that conditions molecular representations on target identity, we characterize both success and failure modes with three principal findings. First, fusion architecture dominates: FiLM outperforms concatenation by 24.2 percentage points and additive conditioning by 8.6 pp; how you incorporate context matters more than whether you include it. Second, context enables otherwise impossible predictions: on data-scarce CYP3A4 (67 training compounds), multi-task transfer achieves 0.686 AUC where per-target Random Forest collapses to 0.238. Third, context can systematically hurt: distribution mismatch causes 10.2 pp degradation on BACE1; few-shot adaptation consistently underperforms zero-shot. Beyond methodology, we expose fundamental flaws in standard benchmarking: 1-nearest-neighbor Tanimoto achieves 0.991 AUC on DUD-E without any learning, and 50% of actives leak from training data, rendering absolute performance metrics meaningless. Our temporal split evaluation (train up to 2020, test 2021-2024) achieves stable 0.843 AUC with no degradation, providing the first rigorous evidence that context-conditional molecular representations generalize to future chemical space.

In this work, we demonstrate that reliable stochastic sampling is a fundamental yet unfulfilled requirement for Large Language Models (LLMs) operating as agents. Agentic systems are frequently required to sample from distributions, often inferred from observed data, a process which needs to be emulated by the LLM. This leads to a distinct failure point: while standard RL agents rely on external sampling mechanisms, LLMs fail to map their internal probability estimates to their stochastic outputs. Through rigorous empirical analysis across multiple model families, model sizes, prompting styles, and distributions, we demonstrate the extent of this failure. Crucially, we show that while powerful frontier models can convert provided random seeds to target distributions, their ability to sample directly from specific distributions is fundamentally flawed.

We investigate whether a multiscale tensor-network architecture provides a useful inductive bias for reconstruction-based anomaly detection in collider jets. Jets are produced by a branching cascade, so their internal structure is naturally organised across angular and momentum scales. This motivates an autoencoder that compresses information hierarchically and can reorganise short-range correlations before coarse-graining. Guided by this picture, we formulate a Multiscale Entanglement Renormalization Ansatz (MERA)-inspired autoencoder acting on ordered jet constituents. To our knowledge, a MERA-inspired autoencoder has not previously been proposed, and this architecture has not been explored in collider anomaly detection. We compare this architecture to a dense autoencoder, the corresponding tree-tensor-network limit, and classical baselines within a background-only reconstruction framework. The paper is organised around two main questions: whether locality-aware hierarchical compression is genuinely supported by the data, and whether the disentangling layers of MERA contribute beyond a simpler tree hierarchy. To address these questions, we combine benchmark comparisons with a training-free local-compressibility diagnostic and a direct identity-disentangler ablation. In the nominal benchmark, the MERA-inspired model attains a higher mean AUC than the dense autoencoder at all three latent dimensions while using roughly one-third of its trainable parameters. The locality-preserving multiscale structure is well matched to jet data, and, at the strongest compression bottleneck, the trained disentanglers move substantially away from the identity and are accompanied by a positive mean performance shift. Overall, the study supports locality-aware hierarchical compression as a useful and parameter-efficient inductive bias for reconstruction-based jet anomaly detection in this benchmark setting.

In this paper, we propose a novel framework for non-stationary time-series analysis that replaces conventional correlation-based statistics with direct estimation of statistical dependence in the normalized joint density of input and target signals, the cross density ratio (CDR). Unlike windowed correlation estimates, this measure is independent of sample order and robust to regime changes. The method builds on the functional maximal correlation algorithm (FMCA), which constructs a projection space by decomposing the eigenspectrum of the CDR. Multiscale features from this eigenspace are classified using a lightweight single-hidden-layer perceptron. On the TI-46 digit speech corpus, our approach outperforms hidden Markov models (HMMs) and state-of-the-art spiking neural networks, achieving higher accuracy with fewer than 10 layers and a storage footprint under 5 MB.