Papers

Information plane (IP) analysis has been suggested to study the training dynamics of deep neural networks through mutual information (MI) between inputs, representations, and targets. However, its statistical validity is often compromised by the difficulty of estimating MI from samples of high-dimensional, deterministic representations. In this work, we perform IP analyses on binary neural networks (BNNs) where activations are discrete and MI is finite. We characterise the finite-sample behaviour of the plug-in entropy estimator and identify regimes for sample size $N$ and representation dimensionality $D$ under which MI estimates are reliable. Outside these regimes, we show that empirical MI estimates saturate to $\log_2 N$, rendering IP trajectories uninformative. Restricting attention to the reliable regime, we train 375 BNNs to investigate the existence of late-stage compression phases and the relationship between compressed representations and generalisation performance. Our results show that while late-stage compression is frequently observed, compressed latent representations do not consistently correlate with improved generalization performance. Instead, the relationship between compression and generalisation is highly dependent on task, architecture, and regularisation.

Tools from random matrix theory have become central to deep learning theory, using spectral information to provide mechanisms for modeling generalization, robustness, scaling, and failure modes. While often capable of modeling empirical behavior, practical computations are limited by matrix size, often imposing a restriction to models that are too small to be realistic. This motivates the inference of properties of larger models from the behavior of smaller ones. Free decompression (FD) is a recently proposed method for extrapolating spectral information across matrix sizes, but its utility is currently limited by strong assumptions that preclude its implementation on more realistic machine learning (ML) models. We use algebraic spectral curve theory to provide a general FD methodology for spectral densities whose Stieltjes transform satisfies an algebraic relation, a modeling assumption that is more likely to hold in practice. This recasts FD as an evolution along spectral curves which can be readily integrated. Our framework enables the expansion of spectral densities that have multiple or multi-modal bulks, that exist at multiple scales, and that contain atoms, all characteristic of real-world data and popular ML models. We demonstrate the efficacy of our framework on models of interest in modern ML, including Hessian and activation matrices associated with neural networks and large-scale diffusion models.

Distributed quantum algorithms offer a promising pathway to scale variational quantum algorithms beyond the constraints of noisy intermediate-scale quantum hardware. However, existing approaches implicitly assume a trusted entanglement-sharing layer across quantum processors. We show that this assumption introduces a fundamental vulnerability: adversarial perturbations of shared entanglement induce structured gate-level noise that directly impacts quantum learning. We develop a framework that maps entanglement-level perturbations to gate-level noise via an explicit Kraus representation. To quantify their impact, we introduce Kraus expressibility, a metric that generalizes unitary expressibility to noisy quantum channels. We then establish a trade-off between Kraus expressibility and trainability of noisy quantum circuits through gradient variance analysis. Our analysis reveals that an adversary can manipulate Kraus expressibility to maintain sufficiently large cost gradients (avoiding barren plateaus) while systematically biasing optimization toward incorrect solutions. We validate these findings through numerical simulations, demonstrating adversarial degradation of expressibility and trainability.

We propose a unified, few-step generative modeling framework based on cumulative flow maps for long-range transport in probability space, inspired by flow-map techniques for physical transport and dynamics. At its core is a cumulative-flow abstraction that connects local, instantaneous updates with finite-time transport, enabling generative models to reason about global state transitions. This perspective yields a unified few-step framework built on cumulative transport and \revise{cumulative} parameterization that applies broadly to existing diffusion- and flow-based models without being tied to a specific prediction \revise{instantiation}. Our formulation supports few-step and even one-step generation while preserving synthesis quality, requiring only minimal changes to time embeddings and training objectives, and no increase in model capacity. We demonstrate its effectiveness across diverse tasks, including image generation, geometric distribution modeling, joint prediction, and SDF generation, with reduced inference cost.

Polytrees are a subclass of Bayesian networks that seek to capture the conditional dependencies between a set of $n$ variables as a directed forest and are motivated by their more efficient inference and improved interpretability. Since the problem of learning the best polytree is NP-hard, we study which restrictions make it more tractable by considering for example in-degree bounds, properties of score functions measuring the quality of a polytree, and approximation algorithms. We devise an algorithm that finds the optimal polytree in time $O((2+\epsilon)^n)$ for arbitrarily small $\epsilon > 0$ and any constant in-degree bound $k$, improving over the fastest previously known algorithm of time complexity $O(3^n)$. We further give polynomial-time algorithms for finding a polytree whose score is within a factor of $k$ from the optimal one for arbitrary scores and a factor of $2$ for additive ones. Many of the results are complemented by (nearly) tight lower bounds for either the time complexity or the approximation factors.

Syndrome-based neural decoding (SBND) has emerged as a promising deep learning approach for soft-decision decoding of high-rate, short-length codes. However, this approach still has substantial room for improvement. In this paper, we show how to leverage code automorphisms to enhance the ability of existing SBND models to learn and generalize through data augmentation during training and inference. As a result, for the short high-rate codes considered, we obtain models that closely approach MLD performance using small datasets and proper training. Our findings also suggest that many prior results for SBND models in the literature underestimate their true correction capability due to undertraining. Code to reproduce all results is available at: https://github.com/lebidan/sbnd.

Large language models often display heterogeneous moral preferences across settings. We study inference-time steering toward a desired ethical framework while preserving general competence. We present Convergent-Divergent Routing, which traces and edits minimal branch points inside transformer blocks where ethical-framework-related pathways first converge and then diverge. Gating non-target branches at these loci blocks the downstream propagation while leaving upstream computations intact. We find that this intervention alone increases targeted ethical-framework reasoning. To achieve fine-grained control, we adapt Common Spatial Patterns to the residual stream and extract, for each branch-point layer, a pair of directions that discriminate between utilitarian and deontological frameworks. We then introduce Dual Logit Calibration, a closed-form, minimum-$\ell_2$-norm update that moves the residual within this two-dimensional subspace so the resulting directional projections align with user-specified preference weights. Experiments on real-life moral dilemmas show that our method reliably achieves preference calibration and largely preserves general capabilities, outperforming recent baselines while providing an interpretable mechanism.

We study the realization map of deep ReLU networks, focusing on when a function determines its parameters up to scaling and permutation. To analyze hidden redundancies beyond these standard symmetries, we introduce a framework based on weighted polyhedral complexes. Our main result shows that for every architecture whose input and hidden layers have width at least two, there exists an open set of identifiable parameters. This implies that the functional dimension of every such architecture is exactly the number of parameters minus the number of hidden neurons. We further show that minimal functional representations can still have non-trivial parameter redundancies. Finally, we establish a generic depth hierarchy, whereby for an open set of parameters the realized function cannot be represented generically by any shallower network.

Workspace learning requires AI agents to identify, reason over, exploit, and update explicit and implicit dependencies among heterogeneous files in a worker's workspace, enabling them to complete both routine and advanced tasks effectively. Despite its importance, existing relevant benchmarks largely evaluate agents on pre-specified or synthesized files with limited real-world dependencies, leaving workspace-level evaluation underexplored. To this end, we introduce Workspace-Bench, a benchmark for evaluating AI agents on Workspace Learning involving Large-Scale File Dependencies. We construct realistic workspaces with 5 worker profiles, 74 file types, 20,476 files (up to 20GB) and curate 388 tasks, each with its own file dependency graph, evaluated across 7,399 total rubrics that require cross-file retrieval, contextual reasoning, and adaptive decision-making. We further provide Workspace-Bench-Lite, a 100-task subset that preserves the benchmark distribution while reducing evaluation costs by about 70%. We evaluate 4 popular agent harnesses and 7 foundation models. Experimental results show that current agents remain far from reliable workspace learning, where the best reaches only about 60%, substantially below the human result of 80.7%, and the average performance across agents is only 43.3%.

We introduce Cartan flow matching, a general framework for training flow matching models on Riemannian symmetric spaces, i.e. Riemannian manifolds with the property that at any point there exists a geodesic symmetry. This is a large class of manifolds that includes the sphere, hyperbolic space and Grassmannians. We exploit their algebraic structure to reformulate flow matching on symmetric spaces as flow matching on a subspace of the Lie algebra of their isometry group, thus linearizing the problem and avoiding the need to construct geodesic interpolation paths on the manifold. As an application, we showcase our framework on the real Grassmannians $ \operatorname{SO}(n) / \operatorname{SO}(k) \times \operatorname{SO}(n-k) $.

Boltzmann Machines trained on evolutionary sequence data have emerged as a powerful paradigm for the data-driven design of artificial proteins. However, the relationship between model architecture, specifically parameter density, and experimental performance remains poorly understood. Here, we investigate this relationship using the Chorismate Mutase enzyme family as a model system. We compare standard fully connected Boltzmann Machines for Direct Coupling Analysis (bmDCA) with sparse models generated via progressive edge activation (eaDCA) and edge decimation (edDCA). We identify a maximum-entropy model (meDCA) along the decimation trajectory that represents an optimal balance between constraint satisfaction and the flexibility of the probability distribution. We synthesized and tested artificial sequences from all models using an in vivo complementation assay, finding that all architectures, regardless of sparsity, generate functional enzymes with high success rates, even at significant divergence from natural sequences. Despite this functional equivalence, we demonstrate that the meDCA model samples a viable sequence space that is more than fifteen orders of magnitude larger than its low-entropy counterparts. Furthermore, comparative analyses reveal that high-entropy models systematically minimize overfitting and better capture the local neutral spaces surrounding natural proteins. These findings suggest that while various models satisfying coevolutionary statistics can generate functional sequences, high-entropy Boltzmann Machines provide a superior representation of the underlying evolutionary fitness landscape.

Score-based diffusion can be defined intrinsically on the manifold of quantum pure states, $\mathbb{CP}^{d-1}$ with the Fubini–Study metric, but no closed-form transition density is available, so the score must be supervised by a local-time teacher taken from the Euclidean limit of the diffusion in normal coordinates. This paper is about what makes that teacher work, and where it stops working. Three training choices turn out not to be incidental: the increment must be divided by the diffusion clock rather than by the elapsed time, since the published expression assumes unit diffusion and a non-unit schedule introduces a time-change mismatch varying by a factor of $400$ across the horizon; the logarithm and exponential maps should be the closed-form Fubini–Study ones, which is the largest single effect we measure; and the global phase must be randomised, because horizontal projection alone does not make a score network descend to the quotient. With these choices the model improves on the published Riemannian local-time baseline in every cell of an eight-benchmark, four-metric comparison over ten seeds, significantly on five of eight after Holm correction, and beats an ambient Euclidean baseline by an order of magnitude everywhere. We then bound what the approximation costs by replacing it with the exact heat kernel of $\mathbb{CP}^{d-1}$, computable up to complex dimension seven, where the local-time teacher loses a factor of $1.2$ to $2.7$.

Real-world clinical data is inherently multimodal, providing complementary evidence that mirrors the practical necessity of jointly assessing multiple related outcomes. Although multi-task learning can improve efficiency by sharing information across outcomes, existing approaches often fail to balance shared representation learning with outcome-specific modeling. Hard parameter sharing can trigger negative transfer when task gradients conflict, while flexible sharing may still entangle shared and task-specific signals. To address this, we propose a multi-task framework built on a unified Transformer for multimodal fusion, augmented with Orthogonal Task Decomposition (OrthTD) to split patient representations into shared and task-specific subspaces and impose a geometric orthogonality constraint to reduce redundancy and isolate task-specific signals. We evaluated OrthTD on a real-world cohort of 12,430 surgical patients for predicting four outcomes. OrthTD achieved average AUC (area under the receiver operating characteristic curve) of 87.5% and average AUPRC (area under the precision-recall curve) of 37.2%, consistently outperformed advanced tabular and multi-task methods. Notably, OrthTD achieves substantial gains in AUPRC, indicating superior performance in identifying rare events within imbalanced clinical data. These results suggest that enforcing non-redundant shared and task-specific representations can improve multi-outcome prediction from multimodal clinical data.

KV-cache quantizers usually optimize storage-space reconstruction, even though attention reads keys through logits and values through attention-weighted readout. We argue that persistent cache error should be measured in model-visible coordinates. For keys, the visible object is score error modulo constant shifts; this yields HeadQ, a key-side method that stores a low-rank residual side code in a calibration-learned query basis and applies it as an additive logit correction. For values, fixed-attention readout gives an $A^2$-weighted token-distortion surrogate. Across six models, Fisher/score-space error predicts attention KL far better than raw key MSE; same-budget counterexamples, null-space interventions, query-PCA controls, and wrong-sign HeadQ falsify storage-MSE alternatives. Matched Pythia checkpoints localize the main anomaly to a small-model low-entropy route-flip boundary. In K-only WikiText-103 decode experiments with dense values, HeadQ removes roughly $84$–$94\%$ of the excess perplexity on the strongest 2-bit rows; in an auxiliary full-KV 2-bit composition, HeadQ plus an $A^2$ value policy improves all six models.

With the increase of the Electronic Health Records (EHR) data, more and more researchers are developing machine learning models to learn from the medical notes. These unstructured text data pose significant challenges on the learning process as the quality of data is low. These data are often messy, repetitive and redundant. We have shown these notes data to be informative by conducting the after-discharge mortality rate prediction task. The AUC-ROC for models using the medical note information is generally 0.1 higher than those without the medical notes. Furthermore, we propose the Deep Neural Network(DNN) model with 'pooling' mechanism to enhance the mortality prediction. Based on the experimental results, we demonstrate that the proposed model outperforms the traditional machine learning models like the tree-based models. The proposed method learns from the most informative medical notes and improves the prediction accuracy significantly. The AUC-ROC for the proposed model is 2% to 14% higher than the traditional ones in 15-days, 30-days, 60-days, 365-days after-discharge mortality prediction tasks. Moreover, we can discover some interesting knowledge through the traditional and proposed models. These knowledge are inspiring but also consistent with the previous findings. The models are able to reveal the relationships between the informative keywords and documents from the medical notes and the severity of the patients.

Reconstructing PDE-governed fields from sparse and irregular measurements is challenging due to their ill-posed nature. Deterministic surrogates are trained on dense fields that struggle with limited measurements and uncertainty quantification. Generative models, by learning distributions over spatiotemporal fields, can better handle sparsity and uncertainty. However, existing generative approaches enforce data consistency and PDE constraints simultaneously via sampling-time gradient guidance, resulting in slow and unstable inference. To this end, we propose PerFlow, a Physics-embedded rectified Flow for efficient sparse reconstruction and uncertainty quantification of spatiotemporal dynamics. PerFlow decouples observation conditioning from physics enforcement, performing guidance-free conditioning by feeding observations into rectified-flow dynamics while embedding hard physics via a constraint-preserving projection (e.g., incompressibility or conservation). Theoretically, we establish invariance guarantees to ensure that trajectories remain on the physics-consistent manifold throughout sampling. Experiments on various PDE systems demonstrate competitive reconstruction accuracy with sound physics consistency, while enabling efficient conditional sampling (e.g., 50 steps) and up to 320x faster inference than 2000-step guided diffusion baselines.

The dual norm characterisation of weak solutions of second-order linear elliptic partial differential equations is mathematically natural but computationally intractable: evaluating the $H^{-1}$ norm of the residual requires a supremum over an infinite-dimensional test space. We prove that the $H^{-1}$ norm of any functional is equivalent to its expected squared evaluation against a random test function whose probability distribution depends only on the domain. Crucially, realisations of this random test function have negative Sobolev regularity for $d \geq 2$, yet this roughness is not an obstacle: averaging over the distribution exactly recovers the correct weak topology, independently of the differential operator, and no supremum evaluation is necessary. This equivalence introduces the notion of stochastically weak solutions, which coincide with classical weak solutions, and motivates stochastic variational physics-informed neural networks (SV-PINNs): neural networks trained by minimising an empirical approximation of the stochastic norm of the PDE residual. Although instantiated here with neural networks, the underlying principle is independent of the trial space and suggests a broader paradigm for numerical methods based on stochastic rather than deterministic test spaces. The framework extends naturally to higher-order elliptic, parabolic and hyperbolic equations and to abstract operator equations on Hilbert spaces. As a proof of concept, we present numerical experiments on eight challenging second-order linear elliptic problems spanning high-frequency and multi-scale solutions, indefinite operators, variable coefficients, and non-standard domains, in which SV-PINNs consistently and significantly outperform standard PINNs, recovering solutions to within one percent relative error in hundreds of L-BFGS steps.

Retrieval-augmented generation (RAG) grounds answers in retrieved passages, yet relevance does not guarantee sufficiency: a topical passage may still fail to justify the answer. We study evidence sufficiency verification for selective RAG answering, in which a verifier receives a question, a candidate answer, and retrieved evidence and decides whether the evidence supports, refutes, or is insufficient for the answer, answering only when support is established. We present SURE-RAG, an aggregation protocol that treats evidence sufficiency as a set-level property: missing hops and unresolved conflicts cannot be detected by scoring passages independently. A shared claim-evidence verifier produces a local relation distribution for each (claim, passage) pair, which SURE-RAG aggregates into four interpretable answer-level feature blocks (coverage, relation strength, uncertainty, and retrieval), producing a three-way decision and an auditable selective score. We evaluate on HotpotQA-RAG v3, a controlled multi-hop benchmark, under an artifact-aware protocol (shortcut baselines, counterfactual swaps, no-oracle checks, and GPT-4o audits). Calibrated SURE-RAG attains 0.9075 Macro-F1 (raw 0.8951 +/- 0.0069), well above DeBERTa mean-pooling (0.6516) and a GPT-4o judge (0.7284), and on par with a strong concat cross-encoder (0.8888 +/- 0.0109) while remaining fully auditable. At 30% coverage, risk falls from 0.2588 to 0.1642, a 37% relative reduction. As a boundary-mapping experiment, we contrast SURE-RAG with GPT-4o on HaluBench unsafe detection: the ranking reverses (0.3343 vs. 0.7389 unsafe-F1), indicating that controlled sufficiency verification and natural hallucination detection are distinct problems.

We propose a neural parameterization of convex sets by learning sublinear (positively homogeneous and convex) functions. Our networks implicitly represent both the support and gauge functions of a convex body. We prove a universal approximation theorem for convex sets under this parametrization. Empirically, we demonstrate the method on shape optimization and inverse design tasks, achieving accurate reconstruction of target shapes.

Self-supervised learning (SSL) excels at finding general-purpose latent representations from complex data, yet lacks a unifying theoretical framework that explains the diverse existing methods and guides the design of new ones. We cast SSL as latent distribution matching (LDM): learning representations that maximize their log-probability under an assumed latent model (alignment), while maximizing latent entropy to prevent collapse (uniformity). This view unifies independent component analysis with contrastive, non-contrastive, and predictive SSL methods, including stop gradient approaches. Leveraging LDM, we derive a nonlinear, sampling-free Bayesian filtering model with a Kalman-based predictor for high-dimensional timeseries. We further prove that predictive LDM yields identifiable latent representations under mild assumptions, even with nonlinear predictors. Overall, LDM clarifies the assumptions behind established SSL methods and provides principled guidance for developing new approaches.

The remarkable success of large language models (LLMs) has motivated researchers to adapt them as universal predictors for various graph tasks. As a widely recognized paradigm, Graph-Tokenizing LLMs (GTokenLLMs) compress complex graph data into graph tokens and treat them as prefix tokens for querying LLMs, leading many to believe that LLMs can understand graphs more effectively and efficiently. In this paper, we challenge this belief: Do GTokenLLMs fully understand graph tokens in the natural-language embedding space? Motivated by this question, we formalize a unified framework for GTokenLLMs and propose an evaluation pipeline, GTEval, to assess graph-token understanding via instruction transformations at the format and content levels. We conduct extensive experiments on 6 representative GTokenLLMs with GTEval. The primary findings are as follows: (1) Existing GTokenLLMs do not fully understand graph tokens. They exhibit over-sensitivity or over-insensitivity to instruction changes, and rely heavily on text for reasoning; (2) Although graph tokens preserve task-relevant graph information and receive attention across LLM layers, their utilization varies across models and instruction variants; (3) Additional instruction tuning can improve performance on the original and seen instructions, but it does not fully address the challenge of graph-token understanding, calling for further improvement.

Solving inverse problems in dynamical systems governed by high-dimensional coupled ordinary differential equations (ODEs) is a ubiquitous challenge in scientific machine learning. In many real-world applications, researchers seek to uncover unknown parameters or model unknown dynamics even as the underlying physics is only partially characterized, and observations are sparse and limited to specific measurable channels. While physics-informed neural networks (PINNs) are ideal for inverse inference under partial observability, existing PINNs typically rely on task-specific joint optimization, which suffers from optimization difficulties and poor generalization. In this paper, we propose a meta-inverse physics-informed neural network (MI-PINN) that reformulates inverse modeling as a two-stage meta-learning problem. MI-PINN first learns a physics-aware representation across multiple tasks, and then performs inverse modeling by optimizing task-specific unknowns while keeping the learned representation fixed. This two-stage formulation significantly reduces the parameter search dimension, thereby improving sample efficiency and enabling accurate inference. To handle multi-scale dynamics common in these high-dimensional ODE systems, we further introduce an adaptive clustering-based multi-branch learning scheme. We demonstrate the effectiveness of MI-PINN on whole-body physiologically based pharmacokinetic (PBPK) models with up to 33 coupled ODEs, using paracetamol and theophylline under intravenous and oral dosing scenarios. Experimental results show that MI-PINN enables accurate recovery of masked kinetic parameters and reconstruction of missing mechanistic terms despite limited clinical observations.

We study expected generalization bounds for the Hierarchical Federated Learning (HFL) setup using Wasserstein distance. We introduce a generalized framework in which data is sampled hierarchically, and we model it with a multi-layered tree structure that induces dependencies among the clients' datasets. We derive generalization bounds in terms of Wasserstein distance under the Lipschitz assumption on the loss function, by applying a supersample construction that allows us to measure the sensitivity of the algorithm to the change of a single node in the sampling tree. By leveraging the FL structure, we recover and strictly imply existing state-of-the-art conditional mutual information (CMI) bounds in the case of bounded losses. We also show that our bound can be applied together with Differential Privacy assumptions, to recover generalization bounds based on algorithmic privacy. To assess the tightness of our bounds, we study the Gaussian Location Model (GLM) and show that we recover the actual asymptotic rate of the generalization error.

Score-based diffusion models in infinite-dimensional function spaces provide a mathematically principled framework for modelling function-valued data, offering key advantages such as resolution invariance and the ability to handle irregular discretisations. However, practical implementations have struggled to fully realise these benefits. Existing backbones like Fourier neural operators are often biased towards regular grids and fail to generalise to complex domain topologies. We introduce an architecture, GRIFDIR, for function-space diffusion models that represents generalised graph convolutional kernels as finite element functions, allowing the score network to operate directly on unstructured meshes over domains of arbitrary shape. We demonstrate the efficacy of our network architecture through a series of unconditional and conditional sampling experiments across diverse geometries, including non-convex and multiply-connected domains. Our results show that the proposed method maintains resolution invariance and achieves high fidelity in capturing functional distributions on non-trivial geometries.

We consider function optimization as a sequential decision making problem under budget constraint. This constraint limits the number of objective function evaluations allowed during the optimization. We consider an algorithm inspired by a continuous version of a multi-armed bandit problem which attacks this optimization problem by solving the tradeoff between exploration (initial quasi-uniform search of the domain) and exploitation (local optimization around the potentially global maxima). We introduce the so-called Simultaneous Optimistic Optimization (SOO), a deterministic algorithm that works by domain partitioning. The benefit of such approach are the guarantees on the returned solution and the numerical efficiency of the algorithm. We present this machine learning approach to optimization, and provide the empirical assessment of SOO on the CEC'2014 competition on single objective real-parameter numerical optimization test-suite.

We develop graph-based methods for semi-supervised learning based on label propagation on a data similarity graph. When data is abundant or arrive in a stream, the problems of computation and data storage arise for any graph-based method. We propose a fast approximate online algorithm that solves for the harmonic solution on an approximate graph. We show, both empirically and theoretically, that good behavior can be achieved by collapsing nearby points into a set of local representative points that minimize distortion. Moreover, we regularize the harmonic solution to achieve better stability properties. We also present graph-based methods for detecting conditional anomalies and apply them to the identification of unusual clinical actions in hospitals. Our hypothesis is that patient-management actions that are unusual with respect to the past patients may be due to errors and that it is worthwhile to raise an alert if such a condition is encountered. Conditional anomaly detection extends standard unconditional anomaly framework but also faces new problems known as fringe and isolated points. We devise novel nonparametric graph-based methods to tackle these problems. Our methods rely on graph connectivity analysis and soft harmonic solution. Finally, we conduct an extensive human evaluation study of our conditional anomaly methods by 15 experts in critical care.

The goal of this thesis is to investigate the structural properties of certain sequential problems in order to bring the solutions closer to a practical use. In the first part, we put a special emphasis on structures that can be represented as graphs on actions. In the second part, we study the large action spaces that can be of exponential size in the number of base actions or even infinite. For graph bandits, we consider the settings of smoothness of rewards (spectral bandits), side observations, and influence maximization. For large structured domains, we cover kernel bandits, polymatroid bandits, bandits for function optimization (including unknown smoothness), and infinitely many-arms bandits. The thesis aspires to be a survey of the author's contributions on graph and structured bandits.

Persistent external memory enables LLM agents to maintain context across sessions, yet its security properties remain formally uncharacterized. We formalize memory poisoning attacks on retrieval-augmented agents as a Stackelberg game with a unified evaluation framework spanning three attack classes with escalating access assumptions. Correcting an evaluation protocol inconsistency in the triggered-query specification of Chen et al. (2024), we show faithful evaluation increases measured attack success by $4\times$ (ASR-R: $0.25 \to 1.00$). Our primary contribution is MEMSAD (Semantic Anomaly Detection), a calibration-based defense grounded in a gradient coupling theorem: under encoder regularity, the anomaly score gradient and the retrieval objective gradient are provably identical, so any continuous perturbation that reduces detection risk necessarily degrades retrieval rank. This coupling yields a certified detection radius guaranteeing correct classification regardless of adversary strategy. We prove minimax optimality via Le Cam's method, showing any threshold detector requires $\Omega(1/\rho^2)$ calibration samples and MEMSAD achieves this up to $\log(1/\delta)$ factors. We further derive online regret bounds for rolling calibration at rate $O(\sigma^{2/3}\Delta^{1/3})$, and formally characterize a discrete synonym-invariance loophole that marks the boundary of what continuous-space defenses can guarantee. Experiments on a $3 \times 5$ attack-defense matrix with bootstrap confidence intervals, Bonferroni-corrected hypothesis tests, and Clopper-Pearson validation ($n=1{,}000$) confirm: composite defenses achieve TPR $= 1.00$, FPR $= 0.00$ across all attacks, while synonym substitution evades detection at $\Delta$ ASR-R $\approx 0$, exposing a gap existing embedding-based defenses cannot close.

Surface electromyography provides a practical way to infer human movement intention from wearable muscle recordings, but models trained under a single acquisition setting often lose reliability when the user, session, electrode layout, or gesture protocol changes. This paper proposes AEMG, a self-supervised learning approach designed to extract reusable neuromuscular representations from diverse EMG sources. Eight public gesture datasets are first transformed into a shared signal format to reduce discrepancies in channel configuration, sensor topology, and recording protocol. Instead of relying on fixed-length sliding windows, AEMG identifies contraction events from energy variations and represents them as compact neuromuscular tokens, while ordered token groups describe the coordinated activity of multiple muscles during motion. A spatially and temporally conditioned Transformer is then used to encode these token sequences, preserving information about electrode position, activation timing, and sequential structure. For pre-training, the model constructs a discrete library of contraction prototypes through vector-quantized reconstruction and further learns contextual dependencies by recovering masked neuromuscular tokens from surrounding observations. Experiments under leave-one-subject-out and low-label adaptation settings show that the learned representation improves robustness to unseen users and reduces the amount of calibration data required for gesture recognition. These findings suggest that event-level token modeling offers a scalable route toward adaptable and data-efficient EMG-based motor-intent understanding.

Time series (TS) reasoning models (TSRMs) have shown promising capabilities in general domains, yet they consistently fail on financial domain, which exhibit unique characteristics. We propose a general 2 x 2 capability taxonomy for TSRMs by crossing 1) single-entity vs. multi-entity analysis with 2) assessment of the current state vs. prediction of future behavior. We instantiate this taxonomy in the financial domain—where the distinction between deterministic assessment and stochastic prediction is particularly critical—as ten financial reasoning tasks, forming the FinTSRBench benchmark based on S&P stocks. To this end, we propose FinSTaR (Financial Time Series Thinking and Reasoning), trained on FinTSR-Bench with distinct chain-of-thought (CoT) strategies tailored to each category. For assessment, which is deterministic, we employ Compute-in-CoT, a programmatic CoT that enables models to derive answers directly from raw prices. For prediction, which is inherently stochastic, we adopt Scenario-Aware CoT, which generates diverse scenarios before making a judgment, mirroring how financial analysts reason under uncertainty. FinSTaR achieves 78.9% average accuracy on FinTSRBench, substantially outperforming LLM and TSRM baselines. Furthermore, we show that the four capability categories are complementary and mutually reinforcing through joint training. Code is publicly available at: https://github.com/seunghan96/FinSTaR.