Papers

We present AC-SINDy, a compositional extension of the Sparse Identification of Nonlinear Dynamics (SINDy) framework that replaces explicit feature libraries with a structured representation based on arithmetic circuits. Rather than enumerating candidate basis functions, the proposed approach constructs nonlinear features through compositions of linear functions and multiplicative interactions, yielding a compact and scalable parameterization and enabling sparsity to be enforced directly over the computational graph. We also introduce a formulation that separates state estimation from dynamics identification by combining latent state inference with shared dynamics and multi-step supervision, improving robustness to noise while preserving interpretability. Experiments on nonlinear and chaotic systems demonstrate that the method recovers accurate and interpretable governing equations while scaling more favorably than standard SINDy.

The reasoning process of Graph Neural Networks is complex and considered opaque, limiting trust in their predictions. To alleviate this issue, prior work has proposed concept-based explanations, extracted from clusters in the model's node embeddings. However, a limitation of concept-based explanations is that they only explain the node embedding space and are obscured by pooling in graph classification. To mitigate this issue and provide a deeper level of understanding, we propose the Subgraph Concept Network. The Subgraph Concept Network is the first graph neural network architecture that distils subgraph and graph-level concepts. It achieves this by performing soft clustering on node concept embeddings to derive subgraph and graph-level concepts. Our results show that the Subgraph Concept Network allows to obtain competitive model accuracy, while discovering meaningful concepts at different levels of the network.

Vision-Language Models (VLMs) can perform zero-shot classification but are susceptible to adversarial attacks. While robust fine-tuning improves their robustness, existing approaches align fixed text embeddings with an image embedding, sacrificing natural performance and robustness. A robustness degradation also occurs when a model faces adversarial attacks targeting superclasses (parent classes, e.g., mammal) in addition to their base (leaf) classes (e.g., cat). Thus, to enhance adversarial robustness and leverage the inherent hierarchical properties of class space, we propose a novel adversarial fine-tuning framework based on hierarchical embeddings and several levels of adversarially robust alignment of image-text modalities. Additional mechanisms place visual embeddings at the desired depth of hierarchy, and we provide a theoretical connection between the depth of embedding in the hierarchy and the maximum viable margin size. Our model naturally realizes several margin sizes, boosting generalization of adversaries for robustification. As various trees with different parent labels can share the same leaf labels, we also consider aligning over multiple trees to boost semantic variety. Experiments across several datasets are performed.

Generalized Additive Models (GAMs) can be used to create non-linear glass-box (i.e. explicitly interpretable) models, where the predictive function is fully observable over the complete input space. However, glass-box interpretability itself does not allow for the incorporation of expert knowledge from the modeller. In this paper, we present ParamBoost, a novel GAM whose shape functions (i.e. mappings from individual input features to the output) are learnt using a Gradient Boosting algorithm that fits cubic polynomial functions at leaf nodes. ParamBoost incorporates several constraints commonly used in parametric analysis to ensure well-refined shape functions. These constraints include: (i) continuity of the shape functions and their derivatives (up to C2); (ii) monotonicity; (iii) convexity; (iv) feature interaction constraints; and (v) model specification constraints. Empirical results show that the unconstrained ParamBoost model consistently outperforms state-of-the-art GAMs across several real-world datasets. We further demonstrate that modellers can selectively impose required constraints at a modest trade-off in predictive performance, allowing the model to be fully tailored to application-specific interpretability and parametric-analysis requirements.

In continual learning, the primary challenge is to learn new information without forgetting old knowledge. A common solution addresses this trade-off through regularization, penalizing changes to parameters critical for previous tasks. In most cases, this regularization term is directly added to the training loss and optimized with standard gradient descent, which blends learning and retention signals into a single update and does not explicitly separate essential parameters from redundant ones. As task sequences grow, this coupling can over-constrain the model, limiting forward transfer and leading to inefficient use of capacity. We propose a different approach that separates task learning from stability enforcement via operator splitting. The learning step focuses on minimizing the current task loss, while a proximal stability step applies a sparse regularizer to prune unnecessary parameters and preserve task-relevant ones. This turns the stability-plasticity into a negotiated update between two complementary operators, rather than a conflicting gradient. We provide theoretical justification for the splitting method on the continual-learning objective, and demonstrate that our proposed solver achieves state-of-the-art results on standard benchmarks, improving both stability and adaptability without the need for replay buffers, Bayesian sampling, or meta-learning components.

Barren-plateau results have established exponential gradient suppression as a widely cited obstacle to the scalability of variational quantum algorithms. When and whether these results extend to a given objective has been addressed through loss-specific arguments, but a general structural characterization has remained open. We show that the objective itself admits a fixed-observable representation if and only if the loss is affine in the measured statistics, thereby identifying the exact boundary of the standard concentration-based proof template. Existing transfer results for non-affine losses achieve this reduction under additional assumptions; our characterization implies that such a reduction is not structurally available for a class of non-affine objectives, placing them outside the automatic reach of the existing proof template. Beyond the affine regime, a chain-rule decomposition reveals three governing factors – model responsivity, loss-side signal, and transmittance – and induces a loss-class dichotomy: bounded-gradient losses inherit suppression, while amplification-capable losses can in principle counteract it. In the exponentially wide setting, both classes fail, but for different structural reasons. When the interface is instead designed at polynomial width – exposing coarse-grained statistics rather than individual bitstring probabilities – the exponential-dimensional obstruction is relaxed and the dichotomy plays a genuine role. In a numerical demonstration on a charge-conserving quantum system, the amplification-capable objective produces resolved gradients several orders of magnitude larger than affine and inheriting baselines at comparable shot budgets. Over the tested interval, its scaling trend is statistically distinguished from the exponential trend of both alternatives. The boundary is affine; what lies beyond it is a representation-design problem.

Looped transformers scale computational depth without increasing parameter count by repeatedly applying a shared transformer block and can be used for iterative refinement, where each loop rewrites a full fixed-size prediction in parallel. On difficult problems, such as those that require search-like computation, reaching a highly structured solution starting from noise can require long refinement trajectories. Learning such trajectories is challenging when training specifies only the target solution and provides no supervision over the intermediate refinement path. Diffusion models tackle this issue by corrupting data with varying magnitudes of noise and training the model to reverse it in a single step. However, this process misaligns training and testing behaviour. We introduce Denoising Recursion Models, a method that similarly corrupts data with noise but trains the model to reverse the corruption over multiple recursive steps. This strategy provides a tractable curriculum of intermediate states, while better aligning training with testing and incentivizing non-greedy, forward-looking generation. Through extensive experiments, we show this approach outperforms the Tiny Recursion Model (TRM) on ARC-AGI, where it recently achieved breakthrough performance.

Quantum kernel methods have been proposed as a promising approach for leveraging near-term quantum computers for supervised learning, yet rigorous benchmarks against strong classical baselines remain scarce. We present a comprehensive empirical study of quantum kernel support vector machines (QSVMs) across nine binary classification datasets, four quantum feature maps, three classical kernels, and multiple noise models, totalling 970 experiments with strict nested cross-validation. Our analysis spans four phases: (i) statistical significance testing, revealing that none of 29 pairwise quantum-classical comparisons reach significance at $\alpha = 0.05$; (ii) learning curve analysis over six training fractions, showing steeper quantum slopes on six of eight datasets that nonetheless fail to close the gap to the best classical baseline; (iii) hardware validation on IBM ibm_fez (Heron r2), demonstrating kernel fidelity $r \geq 0.976$ across six experiments; and (iv) seed sensitivity analysis confirming reproducibility (mean CV 1.4%). A Kruskal-Wallis factorial analysis reveals that dataset choice dominates performance variance ($\varepsilon^2 = 0.73$), while kernel type accounts for only 9%. Spectral analysis offers a mechanistic explanation: current quantum feature maps produce eigenspectra that are either too flat or too concentrated, missing the intermediate profile of the best classical kernel, the radial basis function (RBF). Quantum kernel training (QKT) via kernel-target alignment yields the single competitive result – balanced accuracy 0.968 on breast cancer – but with ~2,000x computational overhead. Our findings provide actionable guidelines for quantum kernel research. The complete benchmark suite is publicly available to facilitate reproduction and extension.

We propose a scalable, multifactorial experimental framework that systematically probes LLM sensitivity to subtle semantic changes in pairwise document comparison. We analogize this as a needle-in-a-haystack problem: a single semantically altered sentence (the needle) is embedded within surrounding context (the hay), and we vary the perturbation type (negation, conjunction swap, named entity replacement), context type (original vs. topically unrelated), needle position, and document length across all combinations, testing seven LLMs on tens of thousands of document pairs. Our analysis reveals several striking findings. First, LLMs can exhibit a within-document positional bias distinct from previously studied candidate-order effects: some models penalize semantic differences more harshly when they occur earlier in a document. Second, when the altered sentence is surrounded by topically unrelated context, it raises similarity scores in almost all settings. This is consistent with a contradiction account, in which topically related context allows the alteration to conflict with the surrounding sentences. Third, all models exhibit the same hierarchy in how harshly they score different perturbation types, with negation penalized the most, but express this hierarchy on significantly different scales. Finally, varying the prompt's conception of semantic similarity across several alternatives changes the magnitude but not the direction of these effects. Together, these results demonstrate how LLM semantic similarity scores are sensitive to the aforementioned parameters in ways that go beyond the semantic change itself; our framework offers a practical toolkit for auditing and comparing scoring behavior across current and future models.

Artificial Intelligence (AI) surrogate models provide a computationally efficient alternative to full-physics simulations, but no public datasets currently exist for training and validating models of high-explosive-driven, multi-material shock dynamics. Simulating shock propagation is challenging due to the need for material-specific equations of state (EOS) and models of plasticity, phase change, damage, fluid instabilities, and multi-material interactions. Explosive-driven shocks further require reactive material models to capture detonation physics. To address this gap, we introduce the High-Explosives and Affected Targets (HEAT) dataset, a physics-rich collection of two-dimensional, cylindrically symmetric simulations generated using an Eulerian multi-material shock-propagation code developed at Los Alamos National Laboratory. HEAT consists of two partitions: expanding shock-cylinder (CYL) simulations and Perturbed Layered Interface (PLI) simulations. Each entry includes time series of thermodynamic fields (pressure, density, temperature), kinematic fields (position, velocity), and continuum quantities such as stress. The CYL partition spans a range of materials, including metals (aluminum, copper, depleted uranium, stainless steel, tantalum), a polymer, water, gases (air, nitrogen), and a detonating material. The PLI partition explores varied geometries with fixed materials: copper, aluminum, stainless steel, polymer, and high explosive. HEAT captures key phenomena such as shock propagation, momentum transfer, plastic deformation, and thermal effects, providing a benchmark dataset for AI/ML models of multi-material shock physics.

Recovering latent structure from count data has received considerable attention in network inference, particularly when one seeks both cross-group interactions and within-group similarity patterns in bipartite networks, which are widely used in ecology research. Such networks are often sparse and prone to imperfect detection. Existing models mainly focus on interaction recovery, while the induced similarity graphs are much less studied. Moreover, existing models for under-counted data place sparsity, if at all, on the detection model rather than on these graphs. To address these issues, we propose a nonnegative low-rank factorization framework that jointly estimates detection probabilities and promotes sparse within- and cross-group graphs through $\ell_{1/2}$ regularization. For the resulting nonconvex, nonsmooth problem, we develop an ADMM-based algorithm with adaptive penalization, and establish asymptotic feasibility and KKT stationarity of cluster points under stated assumptions. We also give sufficient conditions for exact recovery of within- and cross-group graphs. On synthetic data with up to 20% missing entries, the method recovers the graphs and detection probabilities with competitive accuracy. Across three ecological datasets, it matches the baseline held-out predictions while estimating detection probabilities and within- and cross-group graphs.

Principal Component Analysis (PCA) is a fundamental tool for representation learning, but its global linear formulation fails to capture the structure of data supported on curved manifolds. In contrast, manifold learning methods model nonlinearity but often sacrifice the spectral structure and stability of PCA. We propose Geodesic Tangent Space Aggregation PCA (GTSA-PCA), a geometric extension of PCA that integrates curvature awareness and geodesic consistency within a unified spectral framework. Our approach replaces the global covariance operator with curvature-weighted local covariance operators defined over a $k$-nearest neighbor graph, yielding local tangent subspaces that adapt to the manifold while suppressing high-curvature distortions. We then introduce a geodesic alignment operator that combines intrinsic graph distances with subspace affinities to globally synchronize these local representations. The resulting operator admits a spectral decomposition whose leading components define a geometry-aware embedding. We further incorporate semi-supervised information to guide the alignment, improving discriminative structure with minimal supervision. Experiments on real datasets show consistent improvements over PCA, Kernel PCA, Supervised PCA and strong graph-based baselines such as UMAP, particularly in small sample size and high-curvature regimes. Our results position GTSA-PCA as a principled bridge between statistical and geometric approaches to dimensionality reduction.

Despite the perceived success of large-scale dataset distillation (DD) methods, recent evidence finds that simple random image baselines perform on-par with state-of-theart DD methods like SRe2L due to the use of soft labels during downstream model training. This is in contrast with the findings in coreset literature, where high-quality coresets consistently outperform random subsets in the hardlabel (HL) setting. To understand this discrepancy, we perform a detailed scalability analysis to examine the role of data quality under different label regimes, ranging from abundant soft labels (termed as SL+KD regime) to fixed soft labels (SL) and hard labels (HL). Our analysis reveals that high-quality coresets fail to convincingly outperform the random baseline in both SL and SL+KD regimes. In the SL+KD setting, performance further approaches nearoptimal levels relative to the full dataset, regardless of subset size or quality, for a given compute budget. This performance saturation calls into question the widespread practice of using soft labels for model evaluation, where unlike the HL setting, subset quality has negligible influence. A subsequent systematic evaluation of five large-scale and four small-scale DD methods in the HL setting reveals that only RDED reliably outperforms random baselines on ImageNet-1K, but can still lag behind strong coreset methods due to its over-reliance on easy sample patches. Based on this, we introduce CAD-Prune, a compute-aware pruning metric that efficiently identifies samples of optimal difficulty for a given compute budget, and use it to develop CA2D, a compute-aligned DD method, outperforming current DD methods on ImageNet-1K at various IPC settings. Together, our findings uncover many insights into current DD research and establish useful tools to advance dataefficient learning for both coresets and DD.

3D-IC netlist partitioning is commonly optimized using proxy objectives, while final PPA is treated as a costly evaluation rather than an optimization signal. This proxy-driven paradigm makes it difficult to reliably translate additional PPA evaluations into better PPA outcomes. To bridge this gap, we present DOPP (D-Optimal PPA-driven partitioning selection), an approach that bridges the gap between proxies and true PPA metrics. Across eight 3D-IC designs, our framework improves PPA over Open3DBench (average relative improvements of 9.99% congestion, 7.87% routed wirelength, 7.75% WNS, 21.85% TNS, and 1.18% power). Compared with exhaustive evaluation over the full candidate set, DOPP achieves comparable best-found PPA while evaluating only a small fraction of candidates, substantially reducing evaluation cost. By parallelizing evaluations, our method delivers these gains while maintaining wall-clock runtime comparable to traditional baselines.

Large language model (LLM)-based systems are increasingly deployed to conduct scientific research autonomously, yet whether their reasoning adheres to the epistemic norms that make scientific inquiry self-correcting is poorly understood. Here, we evaluate LLM-based scientific agents across eight domains, spanning workflow execution to hypothesis-driven inquiry, through more than 25,000 agent runs and two complementary lenses: (i) a systematic performance analysis that decomposes the contributions of the base model and the agent scaffold, and (ii) a behavioral analysis of the epistemological structure of agent reasoning. We observe that the base model is the primary determinant of both performance and behavior, accounting for 41.4% of explained variance versus 1.5% for the scaffold. Across all configurations, evidence is ignored in 68% of traces, refutation-driven belief revision occurs in 26%, and convergent multi-test evidence is rare. The same reasoning pattern appears whether the agent executes a computational workflow or conducts hypothesis-driven inquiry. They persist even when agents receive near-complete successful reasoning trajectories as context, and the resulting unreliability compounds across repeated trials in epistemically demanding domains. Thus, current LLM-based agents execute scientific workflows but do not exhibit the epistemic patterns that characterize scientific reasoning. Outcome-based evaluation cannot detect these failures, and scaffold engineering alone cannot repair them. Until reasoning itself becomes a training target, the scientific knowledge produced by such agents cannot be justified by the process that generated it.

Scientific particle simulations in cosmology, molecular dynamics, and fluid dynamics produce large-scale datasets whose storage, movement, and analysis increasingly rely on lossy compression. However, existing compressors typically bound only pointwise position errors, providing no guarantee on the fidelity of structures derived from particle coordinates, such as single-linkage clustering (also known as Friends-of-Friends algorithm), where clusters are connected components of a proximity graph formed by linking particle pairs within a distance threshold. Even small coordinate perturbations near this threshold can break true links or create false links, thereby splitting or merging entire clusters. We propose a compressor-independent correction technique for preserving single-linkage cluster membership under lossy compression. Our method operates on reconstructed outputs from off-the-shelf compressors such as SZ3, ZFP, Draco, and LCP, and stores a compact corrective edit stream. Our key observation is that cluster-membership queries depend on connected components rather than the complete set of proximity links. Based on this observation, we introduce three constraint-selection modes, vulnerable-pair, safe-component, and halo-forest, that progressively reduce the constraints enforced during correction. Projected gradient descent then corrects the reconstructed coordinates to eliminate the selected violations while respecting the original pointwise error bound. Experiments on cosmology, molecular dynamics, and fluid dynamics datasets with single-GPU and distributed-memory implementations show that our method preserves cluster membership while improving compression ratio by up to 4$\times$ and maintains competitive end-to-end throughput compared to the same base compressors configured with sufficiently tight error bounds to preserve clustering.

We study online learning for new products on a platform that makes capacity-constrained assortment decisions on which products to offer. For a newly listed product, its quality is initially unknown, and quality information propagates through social learning: when a customer purchases a new product and leaves a review, its quality is revealed to both the platform and future customers. Since reviews require purchases, the platform must feature new products in the assortment ("explore") to generate reviews to learn about new products. Such exploration is costly because customer demand for new products is lower than for incumbent products. We characterize the optimal assortments for exploration to minimize regret, addressing two questions. (1) Should the platform offer a new product alone or alongside incumbent products? The former maximizes the purchase probability of the new product but yields lower short-term revenue. Despite the lower purchase probability, we show it is always optimal to pair the new product with the top incumbent products. (2) With multiple new products, should the platform explore them simultaneously or one at a time? We show that the optimal number of new products to explore simultaneously has a simple threshold structure: it increases with the "potential" of the new products and, surprisingly, does not depend on their individual purchase probabilities. We also show that two canonical bandit algorithms, UCB and Thompson Sampling, both fail in this setting for opposite reasons: UCB over-explores while Thompson Sampling under-explores. Our results provide structural insights on how platforms should learn about new products through assortment decisions.

Vision-Language-Action (VLA) models fail systematically on long-horizon manipulation tasks despite strong short-horizon performance. We show that this failure is not resolved by extending context length alone in the current reactive execution setting; instead, it stems from three recurring execution-loop deficiencies: the memory gap, the verification gap, and the recovery gap. We present HELM, a model-agnostic framework that addresses these deficiencies with three components: an Episodic Memory Module (EMM) that retrieves key task history via CLIP-indexed keyframes, a learned State Verifier (SV) that predicts action failure before execution from observation, action, subgoal, and memory-conditioned context, and a Harness Controller (HC) that performs rollback and replanning. The SV is the core learning contribution: it consistently outperforms rule-based feasibility checks and ensemble uncertainty baselines, and its effectiveness depends critically on access to episodic memory. On LIBERO-LONG, HELM improves task success rate by 23.1 percentage points over OpenVLA (58.4% to 81.5%), while extending the context window to H=32 yields only a 5.4-point gain and same-budget LoRA adaptation remains 12.2 points below HELM. HELM also improves long-horizon performance on CALVIN and substantially boosts recovery success under controlled perturbations. Ablations and mechanism analyses isolate the contribution of each component, and we release LIBERO-Recovery as a perturbation-injection protocol for evaluating failure recovery in long-horizon manipulation.

Reinforcement Learning from Human Feedback (RLHF) is central to aligning Large Language Models (LLMs), yet it introduces a critical vulnerability: an imperfect Reward Model (RM) can become a single point of failure when it fails to penalize unsafe behaviors. While existing red-teaming approaches primarily target policy-level weaknesses, they overlook what we term systemic weaknesses cases where both the core LLM and the RM fail in tandem. We present ARES, a framework that systematically discovers and mitigates such dual vulnerabilities. ARES employs a “Safety Mentor” that dynamically composes semantically coherent adversarial prompts by combining structured component types (topics, personas, tactics, goals) and generates corresponding malicious and safe responses. This dual-targeting approach exposes weaknesses in both the core LLM and the RM simultaneously. Using the vulnerabilities gained, ARES implements a two-stage repair process: first fine-tuning the RM to better detect harmful content, then leveraging the improved RM to optimize the core model. Experiments across multiple adversarial safety benchmarks demonstrate that ARES substantially enhances safety robustness while preserving model capabilities, establishing a new paradigm for comprehensive RLHF safety alignment.

Apple Neural Engine (ANE) is a dedicated neural processing unit (NPU) present in every Apple Silicon chip. Mixture-of-Experts (MoE) LLMs improve inference efficiency via sparse activation but are challenging for NPUs in three ways: expert routing is unpredictable and introduces dynamic tensor shapes that conflict with the shape-specific constraints of NPUs; several irregular operators, e.g., top-k, scatter/gather, etc., are not NPU-friendly; and launching many small expert kernels incurs substantial dispatch and synchronization overhead. NPUs are designed to offload AI compute from CPU and GPU; our goal is to enable such offloading for MoE inference, particularly during prefill, where long-context workloads consume substantial system resources. This paper presents NPUMoE, a runtime inference engine that accelerates MoE execution on Apple Silicon by offloading dense, static computation to NPU, while preserving a CPU/GPU fallback path for dynamic operations. NPUMoE uses offline calibration to estimate expert capacity and popularity that drives three key techniques: (1) Static tiers for expert capacity to address dynamic expert routing (2) Grouped expert execution to mitigate NPU concurrency limits (3) Load-aware expert compute graph residency to reduce CPU-NPU synchronization overhead. Experiments on Apple M-series devices using three representative MoE LLMs and four long-context workloads show that NPUMoE consistently outperforms baselines, reducing latency by 1.32x-5.55x, improving energy efficiency by 1.81x-7.37x, and reducing CPU-cycle usage by 1.78x-5.54x through effective NPU offloading.

Semi-Markov Conditional Random Fields (semi-CRFs) assign labels to segments of a sequence rather than to individual positions, enabling exact inference over segment-level features and principled uncertainty estimates at their boundaries. However, existing implementations must materialize a large edge potential tensor whose size grows with sequence length, maximum segment length, and label count, becoming prohibitive for speech-scale state spaces and intractable at genomic scales where sequences can exceed 100,000 positions. This memory bottleneck has limited the adoption of exact segment-level inference for long sequences and large label sets. We identify that the core inefficiency is materializing edge potentials that can instead be evaluated on-the-fly from a compact prefix-sum array, and make several improvements. First, replacing the stored edge tensor with prefix-sum lookup reduces the memory footprint by a factor proportional to the product of segment length and label count. Second, a streaming forward-backward pass with checkpoint-boundary normalization keeps working memory sublinear in sequence length while preserving exact gradients. Third, zero-centered cumulative scores control numerical drift and induce an adaptive duration prior under label imbalance. We integrate these ideas into Flash-SemiCRF, a fused Triton kernel that enables exact semi-CRF inference on previously intractable problem sizes. Available at https://github.com/biobenkj/flash-semicrf.

Detecting jailbreak behaviour in large language models remains challenging, particularly when strongly aligned models produce harmful outputs only rarely. In this work, we present an empirical study of output based jailbreak detection under realistic conditions using the JailbreakBench Behaviors dataset and multiple generator models with varying alignment strengths. We evaluate both a lexical TF-IDF detector and a generation inconsistency based detector across different sampling budgets. Our results show that single output evaluation systematically underestimates jailbreak vulnerability, as increasing the number of sampled generations reveals additional harmful behaviour. The most significant improvements occur when moving from a single generation to moderate sampling, while larger sampling budgets yield diminishing returns. Cross generator experiments demonstrate that detection signals partially generalise across models, with stronger transfer observed within related model families. A category level analysis further reveals that lexical detectors capture a mixture of behavioural signals and topic specific cues, rather than purely harmful behaviour. Overall, our findings suggest that moderate multi sample auditing provides a more reliable and practical approach for estimating model vulnerability and improving jailbreak detection in large language models. Code will be released.

Fault detection and diagnosis are critical for the optimal and safe operation of industrial processes. The correlations among sensors often display non-Euclidean structures where graph neural networks (GNNs) are widely used therein. However, for large-scale systems, local, global, and dynamic relations extensively exist among sensors, and traditional GNNs often overlook such complex and multi-level structures for various problems including the fault diagnosis. To address this issue, we propose a structure-aware multi-level temporal graph network with local-global feature fusion for industrial fault diagnosis. First, a correlation graph is dynamically constructed using Pearson correlation coefficients to capture relationships among process variables. Then, temporal features are extracted through long short-term memory (LSTM)-based encoder, whereas the spatial dependencies among sensors are learned by graph convolution layers. A multi-level pooling mechanism is used to gradually coarsen and learn meaningful graph structures, to capture higher-level patterns while keeping important fault related details. Finally, a fusion step is applied to combine both detailed local features and overall global patterns before the final prediction. Experimental evaluations on the Tennessee Eastman process (TEP) demonstrate that the proposed model achieves superior fault diagnosis performance, particularly for complex fault scenarios, outperforming various baseline methods.

Large Language Models (LLMs) remain vulnerable to optimization-based jailbreak attacks that exploit internal gradient structure. While Sparse Autoencoders (SAEs) are widely used for interpretability, their robustness implications remain underexplored. We present a study of integrating pretrained SAEs into transformer residual streams at inference time, without modifying model weights or blocking gradients. Across four model families (Gemma, LLaMA, Mistral, Qwen) and two strong white-box attacks (GCG, BEAST) plus three black-box benchmarks, SAE-augmented models achieve up to a 5x reduction in jailbreak success rate relative to the undefended baseline and reduce cross-model attack transferability. Parametric ablations reveal (i) a monotonic dose-response relationship between L0 sparsity and attack success rate, and (ii) a layer-dependent defense-utility tradeoff, where intermediate layers balance robustness and clean performance. These findings are consistent with a representational bottleneck hypothesis: sparse projection reshapes the optimization geometry exploited by jailbreak attacks.

An active challenge in developing multimodal machine learning (ML) models for healthcare is handling missing modalities during training and deployment. As clinical datasets are inherently temporal and sparse in terms of modality presence, capturing the underlying predictive signal via diagnostic multimodal ML models while retaining model explainability remains an ongoing challenge. In this work, we address this by re-framing clinical diagnosis as an autoregressive sequence modeling task, utilizing causal decoders from large language models (LLMs) to model a patient's multimodal trajectory. We first introduce a missingness-aware contrastive pre-training objective that integrates multiple modalities in datasets with missingness in a shared latent space. We then show that autoregressive sequence modeling with transformer-based architectures outperforms baselines on the MIMIC-IV and eICU fine-tuning benchmarks. Finally, we use interpretability techniques to move beyond performance boosts and find that across various patient stays, removing modalities leads to divergent behavior that our contrastive pre-training mitigates. By abstracting clinical diagnosis as sequence modeling and interpreting patient stay trajectories, we develop a framework to profile and handle missing modalities while addressing the canonical desideratum of safe, transparent clinical AI.

Nonlinear machine-learning models are increasingly used to discover causal relationships in time-series data, yet the interpretation of their outputs remains poorly understood. In particular, causal scores produced by regularized neural autoregressive models are often treated as analogues of regression coefficients, leading to misleading claims of statistical significance. In this paper, we argue that causal relevance in nonlinear time-series models should be evaluated through forecast necessity rather than coefficient magnitude, and we present a practical evaluation procedure for doing so. We present an interpretable evaluation framework based on systematic edge ablation and forecast comparison, which tests whether a candidate causal relationship is required for accurate prediction. Using Neural Additive Vector Autoregression as a case study model, we apply this framework to a real-world case study of democratic development, modeled as a multivariate time series of panel data - democracy indicators across 139 countries. We show that relationships with similar causal scores can differ dramatically in their predictive necessity due to redundancy, temporal persistence, and regime-specific effects. Our results demonstrate how forecast-necessity testing supports more reliable causal reasoning in applied AI systems and provides practical guidance for interpreting nonlinear time-series models in high-stakes domains.

Masked diffusion large language models (dLLMs) are a promising alternative to autoregressive generation. While reinforcement learning (RL) methods have recently been adapted to dLLM fine-tuning, their objectives typically depend on sequence-level marginal likelihoods, which are intractable for masked diffusion models. To address this, we derive Discrete Tilt Matching (DTM), a likelihood-free method that recasts dLLM fine-tuning as state-level matching of local unmasking posteriors under reward tilting. DTM takes the form of a weighted cross-entropy objective with explicit minimizer, and admits control variates that improve training stability. On a synthetic maze-planning task, we analyze how DTM's annealing schedule and control variates affect training stability and prevent mode collapse. At scale, fine-tuning LLaDA-8B-Instruct with DTM yields strong gains on Sudoku and Countdown while remaining competitive on MATH500 and GSM8K.

Many neural network (NN) verification systems represent the network's input-output relation as a constraint program. Sound and complete, representations involve integer constraints, for simulating the activations. Recent works convexly relax the integer constraints, improving performance, at the cost of soundness. Convex relaxations consider outputs that are unreachable by the original network. We study the worst case divergence between the original network and its convex relaxations; both qualitatively and quantitatively. The relaxations' space forms a lattice, where the top element corresponds to a full relaxation, with every neuron linearized. The bottom element corresponds to the original network. We provide analytical upper and lower bounds for the $\ell_\infty$-distance between the fully relaxed and original outputs. This distance grows exponentially, w.r.t. the network's depth, and linearly w.r.t. the input's radius. The misclassification probability exhibits a step-like behavior, w.r.t. input radius. Our results are supported by experiments on MNIST, Fashion MNIST and random networks.

Today, machine learning is widely applied in sensitive, security-related, and financially lucrative applications. Model extraction attacks undermine current business models where a model owner sells model access, e.g., via MLaaS APIs. Additionally, stolen models can enable powerful white-box attacks, facilitating privacy attacks on sensitive training data, and model evasion. In this paper, we focus on Decision Trees (DT), which are widely deployed in practice. Existing black-box extraction attacks for DTs are either query-intensive, make strong assumptions about the DT structure, or rely on rich API information. To limit attacks to the black-box setting, CPU vendors introduced Trusted Execution Environments (TEE) that use hardware-mechanisms to isolate workloads from external parties, e.g., MLaaS providers. We introduce TrEEStealer, a high-fidelity extraction attack for stealing TEE-protected DTs. TrEEStealer exploits TEE-specific side-channels to steal DTs efficiently and without strong assumptions about the API output or DT structure. The extraction efficacy stems from a novel algorithm that maximizes the information derived from each query by coupling Control-Flow Information (CFI) with passive information tracking. We use two primitives to acquire CFI: for AMD SEV, we follow previous work using the SEV-Step framework and performance counters. For Intel SGX, we reproduce prior findings on current Xeon 6 CPUs and construct a new primitive to efficiently extract the branch history of inference runs through the Branch-History-Register. We found corresponding vulnerabilities in three popular libraries: OpenCV, mlpack, and emlearn. We show that TrEEStealer achieves superior efficiency and extraction fidelity compared to prior attacks. Our work establishes a new state-of-the-art for DT extraction and confirms that TEEs fail to protect against control-flow leakage.

Local prediction-error-based curiosity rewards focus on the current transition without considering the world model's cumulative prediction error across all visited transitions. We introduce Curiosity-Critic, which grounds its intrinsic reward in the improvement of this cumulative objective, and show that it admits a tractable per-step surrogate: the difference between the current prediction error and the asymptotic error baseline of the current state transition. We estimate this error baseline online with a learned critic co-trained alongside the world model; since the critic only has to learn how hard a transition is to predict, its estimate of the irreducible noise floor converges well before the world model saturates, redirecting exploration toward learnable transitions. The reward is higher for learnable transitions and collapses toward zero for stochastic ones, thereby separating epistemic (reducible) from aleatoric (irreducible) prediction error online. Prior prediction-error curiosity formulations, from Schmidhuber (1991) to learned-feature-space variants, emerge as special cases corresponding to specific approximations of this error baseline. Experiments on a stochastic grid world show that Curiosity-Critic outperforms prediction-error, visitation-count, and Random Network Distillation methods in training speed and final world model accuracy.