Papers

While post-training backdoor detection and trigger inversion schemes have been developed for AIs used e.g. for images, there is a paucity of such methods for LLMs. First, the LLM input space is discrete, with up to 150,000^k k-tuples to consider with k the token-length of a putative trigger. Second, one must blacklist tokens typical of the putative target response (class) of an attack, as such tokens may give false detection signals. However, a comprehensive blacklist is not available, in general, for a given domain. We develop a highly effective detection and inversion framework for LLMs treated as classifiers. Central to our approach is class subspace orthogonalization (CSO), a novel plug-and-play paradigm for backdoor detection that serves two fundamental roles when applied to LLMs: i) it enhances both sensitivity and specificity of a baseline detector; ii) it provides a form of implicit blacklisting, as it penalizes against inclusion, in a candidate trigger, of tokens that induce signal perturbations "in the direction of" the putative target class of an attack. One version of our detector performs continuous optimization in token embedding space, while a companion trigger-inversion and detection method performs greedy accretion in discrete token space. Our methods give both strong detection performance and accurate inversion of ground-truth triggers on several LLM classification domains, and for several different LLM architectures.

Deep reinforcement learning has the potential to solve attitude control problems more adaptively, precisely, and robustly by handling nonlinear dynamics, uncertainties, and failure cases more effectively than traditional attitude control approaches. We explore reinforcement learning (RL) for attitude control in spacecraft re-entry. An industry-standard proportional-integral-derivative controller with gain scheduling serves as a strong baseline for model-free RL and hybrid controllers that combine these two approaches. We formalize the application in the RL framework to apply continuous, off-policy RL. State-of-the-art RL achieves comparable performance to traditional control approaches in this domain. However, its out-of-distribution generalization is not sufficient. Hence, we use dynamics randomization to introduce challenging task variations during training and enforce generalization in a predefined operational envelope. Finally, we assess the best obtained RL-based controllers with application-specific metrics to show superior performance in comparison to traditional controllers in the operational envelope, that is, hybrid controllers are able to track the angle of attack better and are more robust under variations of mass, inertia tensor, and flap actuator bandwidth.

Diffusion models enable probabilistic super-resolution and conditional generation, but pixel-space methods are computationally expensive and learned latent spaces often lack interpretable uncertainty quantification. We introduce Patch-PODiff-ViT, a structured latent diffusion framework in which the latent space is defined by patchwise Proper Orthogonal Decomposition (POD), a fixed linear orthonormal basis over local patches, rather than learned by a nonlinear autoencoder. This yields low-dimensional, variance-ordered tokens that preserve spatial structure and enable efficient diffusion in a structured low-dimensional latent space with a Vision Transformer. Because the decoder is fixed, linear, and orthonormal, latent coefficient uncertainty can be propagated directly to physical-space predictive variance, enabling analytic propagation of predictive variance through the linear decoder without Monte Carlo estimation in pixel space. Across sea surface temperature, medical imaging, and natural images, the method achieves strong reconstruction with fewer parameters and lower memory, while producing well-calibrated spatial uncertainty that closely matches empirical ensembles.

We demonstrate the application of Flow Matching, a technique originating from generative Artificial Intelligence, to probabilistic inversion in geophysical settings, such as seismic Full-Waveform inversion. We adapt the well-established mathematical theory of Flow Matching from generative Artificial Intelligence to the context of probabilistic inversion. We evaluate the approach with two case studies: a simple 2D velocity model to illustrate the general features of the method, and the OpenFWI dataset to show its capabilities for probabilistic inversion of more complex seismic velocity models.

Quantile regression aims to estimate the conditional quantiles of a response variable from observed data. In a Bayesian setting, Gaussian process quantile regression provides uncertainty quantification but faces significant computational challenges due to the nonconjugacy of the asymmetric Laplace likelihood and the cost of posterior inference. We develop a sparse Gaussian process framework in which the quantile function is represented through a reduced set of inducing variables and posterior inference is performed using a Laplace approximation. A decomposition of the predictive uncertainty into conditional-prior and posterior-induced variance components is then exploited to drive two complementary adaptive mechanisms: inducing-input infilling and data acquisition. These mechanisms are combined within a sequential algorithm that allocates computational effort toward the dominant source of predictive uncertainty and adaptively controls model complexity. Numerical experiments on benchmark problems demonstrate the accuracy of the Laplace approximation, the benefits of variance-based inducing-input placement, and the effectiveness of the proposed sequential enrichment strategy compared with predefined data-acquisition strategies. The method is finally applied to ship seakeeping under forecast uncertainty, where it outperforms a replication-based counterpart from the literature under limited simulation budgets.

Modern deep neural networks often contain far more parameters than needed to fit their training data, yet they achieve impressive generalization. A common explanation for this success is the implicit bias of stochastic gradient descent (SGD). An alternative volume hypothesis posits that, within low training-loss regions, loss-landscape basins leading to strong generalization occupy much larger regions of weight space than basins that generalize poorly, and therefore SGD is simply more likely to land in the former. Recent experimental explorations of this idea present seemingly contradictory results. While in one set of experiments randomly sampling the network weights until achieving zero training error yielded poor generalization, molecular dynamics density estimates supported the volume hypothesis. We observe that these experiments were performed at different dataset size regimes, and explore an intermediate regime using the Replica Exchange Wang-Landau algorithm to estimate the joint density of states over training and test accuracies in binary networks. Across several architectures and datasets, we show that the generalization advantage of gradient learning over random sampling training generally diminishes as the training data size grows, suggesting a resolution of the paradox.

AI-assisted research has entered a stage in which the central question is not only whether systems can generate hypotheses, run experiments, or produce manuscripts, but whether their scientific claims are calibrated to the evidence that supports them. This Perspective-style paper develops a conceptual and methodological framework for evidence-licensed claims in AI-assisted research. Motivated by representative routes including specialized scientific foundation models, LLM research assistants, multi-agent co-scientists, AI Scientist pipelines, mathematical discovery agents, and self-driving laboratories, it represents AI-assisted research as five operators: hypothesis generation, model-mediated consequence derivation, external validation, belief update, and claim calibration. The central claim is that calibration is not merely cautious wording but a mechanism for managing scientific assertion rights: evidence licenses some forms of speech and withholds others. The paper distinguishes linguistic, consequence-based, interventional, and evidence-licensed semantics; defines the claim-evidence gap and epistemic debt; and treats minimal structural reconstruction across heterogeneous outputs as an upward form of claim calibration. AISim-Cal is included as an illustrative synthetic dynamics exercise, not as an empirical forecast or benchmark. The resulting principles are: no claim without license, validation does not determine claim level, and automation amplifies the need for calibration. Reliable AI-assisted research is therefore evaluated as a loop that generates hypotheses, derives testable consequences, accepts independent adjudication, updates beliefs, and outputs only evidence-licensed claims.

AI agents increasingly acquire and execute skills at runtime: bundles of prompt instructions, executable code, and tool declarations fetched from marketplaces and other agents. Governing them needs a stable notion of skill identity, yet cryptographic hashing is engineered to destroy the very similarity we need, as a one-character edit scrambles the digest. We present a compact, locality-sensitive fingerprint that embeds each component of a skill and projects it to bits with a multi-bank SimHash, giving a fixed 120-byte signature compared in constant time by Hamming distance. Our central claim is that keeping the fingerprint as a per-component triple (prompt, code, tools), rather than a single score, is what makes it useful: the triple recovers skill-family identity through paraphrase, renaming, refactoring, and controlled code translation when another component remains shared, while independent multilingual reimplementation is not recovered; it also localizes which component carries the reuse. We claim lineage, not behavioral equivalence: identity supplies the structural axis of a registry and leaves safety to behavioral verification. The fingerprint reaches an area under the ROC curve (AUC) of 0.974 (95% CI [0.956, 0.994]) over 4,950 pairwise comparisons while using 77x fewer bits than the embedding it approximates, with ranking preserved in expectation and finite-bit concentration; the per-component split turns one number into relationship classification, families, novelty, and a portable "SkillBOM" for a skill registry. On a 906-skill injection benchmark the fingerprint recognizes injected skills as tampered copies of a known base and localizes the change, but recognition is not trust: it remains, by design, an identity signal complementary to behavioral verification rather than a safety verdict.

Computer-use agents, which leverage multimodal large language models (MLLMs) to operate computers and complete tasks, have attracted significant attention for their utility and versatility. A major challenge in developing these agents is collecting large-scale, high-quality trajectories. The standard approach generates synthetic data through a self-improving loop: an agent is placed in a verifiable environment and iteratively fine-tuned on its successful trajectories. Despite its effectiveness, this paradigm exploits only successful trajectories and discards the failed ones, even though failures carry rich information about a model's weaknesses. In this work, we explore a complementary failure-driven self-improvement loop, a data-centric paradigm that turns failed trajectories into agent improvements. Specifically, we employ an LLM to diagnose failure modes, propose inference-time solutions, and generate code patches – lightly verified by humans – that upgrade the agent. We validate this approach with the state-of-the-art OpenCUA-72B model on the OSWorld benchmark, improving the success rate from 42.3% to 48.9%, a gain of 6.6 percentage points, without any additional training cost and with only modest inference overhead. Our results demonstrate that failure-driven self-improvement is a viable complement to success-based pipelines, enabling more efficient agent improvement.

The growing demand for privacy-preserving data sharing has positioned synthetic data generation as a critical component of responsible AI workflows. Despite notable advances in generative modeling, existing solutions often lack integration of adaptive generation strategies, multi-metric evaluation, and accessible end-to-end generators within a unified web-based toolkit. In this work, we introduce TDGT (Tabular Data Generation Toolkit), a web-based toolkit for synthetic tabular data generation and fidelity assessment. TDGT introduces the Adaptive Bayesian Mixture Synthesizer (ABMS), a novel algorithm that autonomously determines the optimal number of mixture components through iterative cluster quality optimization, eliminating the need for manual hyperparameter configuration. Building upon ABMS, we further propose VAE-ABMS, a hybrid architecture that couples Variational Autoencoder-based latent space learning with adaptive Bayesian mixture synthesis, enabling high-fidelity generation of complex, nonlinear tabular distributions. For large-scale scenarios, TDGT provides a GPU-accelerated variant of ABMS leveraging CUDA-based k-means clustering and Gaussian mixture fitting. Synthetic data fidelity is assessed through eleven statistical fidelity metrics spanning distributional divergence, structural correlation, and sample-level similarity, complemented by privacy risk indicators including k-anonymity scoring and disclosure rate estimation. The web-based toolkit supports a real-time streaming interface with interactive Plotly-based visualizations. TDGT is assessed across datasets from healthcare, socioeconomic modeling, and cybersecurity domains, demonstrating consistent generation fidelity and statistical coherence across heterogeneous feature types and data scales.

The classical $k$-means clustering, based on distances computed from all data features, cannot be directly applied to incomplete data with missing values. A natural extension of $k$-means to missing data is to involve only the observed positions in clustering, which is equivalent to imputing missing values by corresponding cluster means. However, for data missing not at random (MNAR), since missingness is related to data values, such a mean-imputation-based method may lead to the distortion of estimated cluster centers, resulting in a poor clustering result. Since MNAR mechanisms are very common in reality, it is necessary to improve the performance of $k$-means-based clustering methods for such data. In this paper, we focus on a magnitude-decaying MNAR scenario where data is more likely to be missing at positions with smaller absolute values, and we propose a novel $k$-means clustering method based on the constraint of the size of imputation values, which enjoys a good mathematical interpretation. Moreover, we establish the statistical consistency of the estimated cluster centers of the proposed method to the true cluster centers of fully observed data, and solve the optimization of the proposed loss function via an alternative minimization algorithm. Simulation experiments verify the effect of the proposed method in improving clustering results and reducing the bias of estimated cluster centers. Applications to real-world missing data further show the utility of the proposed method.

Kilometer-scale convection shapes precipitation extremes, tropical organization, and cloud feedbacks, but most global atmospheric models approximate these processes at 25-100 km resolution. Global storm-resolving physics models resolve convective systems explicitly, but at a cost – roughly one MWh per simulated day on exascale supercomputers – that limits long-duration simulation. We introduce STRATA (Storm-resolving Tile-based autoRegressive Atmosphere Transformer Architecture), the first autoregressive AI emulator for global storm-resolving atmospheric dynamics. STRATA is trained on the highest-resolution atmospheric dataset yet used for global AI emulation: 17 days of SCREAM physics-model output at 4.9-km resolution (~25 million grid cells) sampled every 10 minutes. Our central premise is that on 10-minute timescales atmospheric dynamics are predominantly local, so training on small spatial tiles trades scarce global temporal samples for abundant local spatial samples and enables global rollout via overlapping-tile blending. STRATA combines 3D patch embedding and local 3D neighborhood attention, a novel Stereographic Rotary Position Embedding (StereoRoPE) for grid-invariant encoding, and a pixel-space de-aliasing decoder that suppresses patch-scale rollout artifacts. An iso-FLOP scaling study reveals that km-scale emulation requires ~10x more FLOPs per grid point than coarse-resolution AI weather models, consistent with the higher information density of convective-scale dynamics. Trained on only 17 days of data, STRATA produces stable 24-hour global rollouts with realistic km-scale dynamics across diverse regimes, though large-scale biases develop with lead time. It achieves 48 simulation days per megawatt-hour – about 50 times better energy efficiency than the SCREAM physics model – and 741 simulated days per wall-clock day at 512 H100 GPUs. Code and dataset are publicly available.

We study the task of learning the structure of a $d$-sparse Gaussian graphical model on $n$ variables from a single trajectory of Glauber dynamics. Beyond algorithmic considerations, many applications present temporally correlated observations rather than i.i.d.\ samples. In the classical i.i.d.\ setting, under comparably general sparsity and minimum edge-strength assumptions, sublinear-in-$n$ sample guarantees are known, but achieving them in polynomial-time remains open. Motivated in part by this gap, we give a polynomial-time algorithm that recovers the conditional-independence graph from a single Glauber trajectory, with a trajectory-length guarantee that does not depend on the mixing time. Technically, our algorithm has three components. First, we estimate the conditional variances and rescale the trajectory to reduce to the unit-diagonal case, without changing the underlying graph. Second, we design a local edge test that extracts adjacency information from short update windows by isolating pairwise influence. Third, we aggregate these local statistics using a robust median-based estimator, and prove accuracy despite temporal dependence arising from a single trajectory.

As LLMs increasingly serve as moral advisors and agents, they must address conflicts between competing values. Yet prior work on moral dilemmas overlooks a central aspect of human moral cognition: imagining alternatives beyond the given options. We introduce MoralAltDataset, comprising 307 Advisor and AI-facing Agent dilemmas augmented with compromise and reframed alternatives. We compare human and LLM judgments in binary and four-option settings. Across human participants and 15 LLMs, aggregate moral choice distributions differ substantially between the two settings, with compromise often preferred over either original binary option. Results show value shifts and stronger human-LLM agreement on alternatives. Source-stratified results reveal a descriptive gap: human alternative-selection rates are similar across authoring sources, whereas LLMs select GPT-5-authored alternatives substantially more often. We then compare human-authored alternatives with outputs from three representative LLMs through pairwise preference and expert-based evaluations. Alternatives from these LLMs are generally preferred and better satisfy fine-grained structural and ethical criteria, while revealing a trade-off between structural quality and practical feasibility. Our dataset is available here: https://huggingface.co/datasets/jongchanch/MoralAltDataset, and our project page is here: https://jongchanchoi.com/moral-imagination

Large tabular models (LTMs), i.e., tabular foundation models leveraging in-context learning (ICL), achieve state-of-the-art performance on tabular tasks. While LLMs are known to unintentionally memorize training data, the memorization dynamics of LTMs remain largely unexplored. We investigate the potential for parametric memorization in tabular ICL. We introduce ICLMEM, a probing framework designed to separate context-based predictions from parametric memorization. Our zero-information multiple-choice context strips away valid contextual patterns to force the model to fall back on its parametric memory. Our controlled fine-tuning setup establishes membership ground truth and accounts for common pitfalls, e.g., distribution shift, feature contamination, base-rate fallacy, and the pre-trained base model acts as reference to calibrate for sample difficulty. Our controlled evaluation on a leading real-world-trained LTM detects moderate memorization signals in 8 out of 10 tasks ($\text{AUC}$ up to $0.67$ and TPR at $1\%$ FPR $>0.1$). Notably, memorization signals are strongest for low-cardinality and binary tasks. However, they largely vanish under realistic training conditions. Our findings show LTM memorization signals under specific circumstances (single-task fine-tuning with fixed samples across many epochs and small query size). To protect sensitive data, appropriate measures must be taken, which we discuss.

The control of agile quadrotors in dynamic and uncertain environments remains an open area of investigation to this day, particularly when the complete system dynamics are partially known or highly nonlinear. This work introduces a novel machine learning-based feedback-linearization control framework that employs a Gaussian Radial Basis Function (RBF) neural network (NN) to model and compensate for unmodeled dynamics in real time. The proposed controller leverages the universal approximation capability of RBF networks to model nonlinearities and uncertainties. An online adaptation of the RBF NN updates the network's weights without prior training. The control law is derived using the Lyapunov stability theory, herein guaranteeing closed-loop stability and providing theoretical guarantee of asymptotic convergence of a trajectory tracking task. Gazebo simulation and real flight experiments are conducted using the Bitcraze's Crazyflie 2.1 quadrotor subject to unmodeled air drag, actuator dynamics, and external disturbance. Despite incomplete knowledge of prior dynamics and presence of external disturbance such as air drag and drift in state estimation, the proposed controller improves trajectory tracking with rapid convergence and reduction of position-norm and yaw orientation RMSE by more than $7.13\%$ and $49.27\%$ respectively compared to baseline feedback linearization controller.

We propose Intelligent Schema Memory (ISM), a self-evolving memory-augmented system that improves mathematical reasoning for a frozen LLM under continual learning with hard episodic resets. ISM maintains a compact, self-refined bank of strategy schemas learned from both successful and failed episodes, with symbolic tools that check intermediate steps and certify answers. Without updating model parameters, ISM outperforms passive, retrieval, and reflection baselines on MATH-Hard and OlympiadBench, using 64% and 86% fewer schemas respectively than the strongest passive baseline. These results show that small, actively maintained, and verified strategy memories can support reliable continual mathematical reasoning under strict episodic isolation. The codebase is available at https://github.com/pdx97/ISM .

Adaptive experiments for average treatment effects (ATE) require randomized allocations balancing valid inference with statistical efficiency. The oracle design is a covariate-dependent Neyman rule governed by unknown arm-conditional outcome variances. We investigate whether this sequential variance-estimation and allocation process can be amortized via in-context learning. We introduce Bayesian in-context experimenters: transformer policies trained to imitate a Bayesian posterior Neyman teacher. The teacher updates nonparametric beliefs over potential outcomes using experimental history to assign posterior Neyman treatment probabilities. This design converges to the oracle rule, supporting efficient ATE inference. Transformers constructively implement this mapping through attention-based sufficient statistics and projected gradient descent, imitating Bayesian updating for Gaussian-series priors. To address unknown outcome smoothness, we combine smoothness-indexed experimenters using a mixture-of-experts transformer. The gate acts as a hierarchical posterior over smoothness classes, concentrating on near-oracle experts. By bounding the complexity of the transformer class, we prove this amortized policy can be learned via empirical risk minimization using supervised pretraining. Experiments confirm accurate teacher imitation, adaptive allocation, and improved ATE precision over baselines.

Optimizing nonlinear preferences in multi-objective reinforcement learning (MORL) is essential for capturing complex trade-offs like risk aversion or fairness. However, such non-linearity has historically bifurcated nonlinear MORL objectives into two distinct paradigms: Scalarized Expected Return (SER) and Expected Scalarized Return (ESR). While SER requires global-level optimization and ESR requires non-Markovian policies, leading to fragmented optimization strategies, we bridge this divide through the Aggregation-Expectation-Transformation (AET) framework. By unifying both criteria through a tripartite decomposition of scalarization, AET provides a principled foundation for general nonlinear MORL. Building on this framework, we propose AETDICE, a tractable offline RL algorithm for AET objectives. By utilizing DICE-style density-ratio estimation in an augmented state space, AETDICE enables sample-based optimization from static datasets. Our framework resolves long-standing barriers and captures respective trade-offs induced by AET framework, which existing methods fail to address.

We audit a fixed prefix-window mean-NLL memorization probe (K=20) on a Qwen2.5-VL-7B canary testbed and report three post-hoc cases where it disagrees with full-span secret NLL or greedy exact-recall. C3 (false negative, window truncation): damage lands on hex tokens outside K=20; the probe stays flat while hit@1 drops. C4 (false positive, non-secret drift): the probe moves, but approximately 99% sits on non-secret preamble; the secret span and hit@1 are unchanged. C5 (ambiguous in-window drop): the probe falls on an undertrained baseline while full-span hex is positive and hit@1=0. Recommendation: report (i) full-span secret NLL, (ii) a span-localised decomposition, (iii) behavioural exact-recall at k>=4, and (iv) decoy probes before asserting secret-specificity. Evidence is on controlled canaries in one backbone; magnitudes are testbed-specific.

Text-attributed graphs (TAGs), where each node carries a natural language description, require models to jointly reason over text and graph topology. Existing approaches often handle the two modalities separately: graph neural networks operate on shallow text features, while hybrids of LLMs and graphs use the language model mainly as a text encoder and delegate structure learning to a separate graph module. We propose method that unifies textual reasoning and graph message passing within a masked diffusion language model, a language model with bidirectional attention and generative decoding. For each graph instance, method linearises a sampled local neighbourhood into a token sequence and injects graph structure through a topology attention mask, which realises message passing over the graph. Because the diffusion language model can both interpret and generate text, the method adapts to different tasks simply by changing the prompt, supporting node classification, link prediction, and cross-dataset transfer with no target-specific fine-tuning. Experiments show that method outperforms graph neural networks, graph transformers, and LLM-based baselines on all three TAG benchmarks across two tasks, improving over the strongest baseline by up to 3.9 points.

Large language models deployed in regulated industries operate under two constraints: compliance enforcement and cost efficiency. Personally identifiable information (PII) in user queries can reach model endpoints before the system determines whether that data should leave its jurisdictional boundary. Serving all queries through a single large model consumes full GPU capacity regardless of query complexity while offering no mechanism for geographic routing. Mixture-of-Experts architectures do not address this routing occurs between expert layers within the model after data has already arrived at the endpoint, with all experts loaded in memory regardless of query complexity. We propose a classifier-gated routing architecture that enforces compliance by design. A trained encoder classifier sits before any decoder inference, evaluating each query for complexity and data sensitivity, then routing it to an appropriately sized dense model in the appropriate geographic location. PII-containing queries route to local endpoints before any LLM computation begins, making data residency violations structurally impossible. Simple queries reach small, fast models at a fraction of the cost. Our evaluation on 600 queries demonstrates 39% median latency reduction, 33-52% cost savings depending on query distribution, and generation throughput of 122-200 tokens/second versus 50-64 for the baseline. The encoder classifier achieves 99.2% accuracy with near-perfect PII recall at 7ms inference overhead, establishing pre-inference classification as a practical path to compliance-by-design LLM deployment.

Large Language Models (LLMs) are rapidly transforming software development, yet their use in security-critical contexts raises a key question: do models know when their generated code is insecure? This property, known as calibration, measures whether a model's confidence aligns with the true correctness of its outputs. We present the first large-scale empirical study of security calibration in LLM-generated code. We evaluate GPT-4o-mini, Gemini-2.0-Flash, and Qwen3-Coder-Next across multiple temperature settings on two complementary benchmarks: self-contained security tasks and multi-language repository-level contexts. Our results suggest that overconfidence is prevalent across the evaluated LLMs. Functional calibration is consistently worse than security calibration, suggesting that models estimate security outcomes more reliably than functional correctness, potentially because functional correctness depends on complex execution behavior. We also examine whether calibration-guided automated repair can help remediate vulnerabilities in LLM-generated code, finding only limited improvements while frequently introducing functional regressions. Moreover, we study different mitigation strategies for reducing False Trust, where models assign high confidence to vulnerable code. The results show that although architectural gating improves calibration on controlled benchmarks, calibration deteriorates in realistic repository-level settings, increasing the risk of high-confidence vulnerable outputs.

Creating and editing slides is a rich, multimodal activity that is ubiquitous in professional and educational settings, making it an ideal testbed for real-world computer-use agents. Microsoft PowerPoint is among the most widely adopted and feature-rich environments for presentation creation. We introduce PPT-Eval, a benchmark of 120 PowerPoint tasks across 12 files that cover both content creation and presentation editing scenarios, organized by difficulty. A central challenge in this domain is evaluation: tasks are complex, multimodal, and often admit many valid solutions. Moreover, today's agents frequently make only partial progress, which binary success metrics fail to capture. To address this, we design a robust evaluation framework to help create task-specific rubrics for PowerPoint tasks, taking inspiration from and building on past works for rubric-based evaluation. These rubrics award partial credit for intermediate steps, penalize unnecessary changes and poor aesthetics, and provide natural language feedback. This nuanced approach proves highly effective, achieving a Kendall's {\tau}-b correlation of 0.77 with human judgments. We find that existing frontier agents still struggle with solving PowerPoint tasks, with strong models like Claude-4.5-Opus achieving only a 45% success rate and an average partial score of 57%. The benchmark is located at: https://microsoft.github.io/ppteval.

This paper proposes a Bayesian filtering-based approach for learning the dynamics of a physical system from partial, noisy measurements. We model the system dynamics using a Lagrangian mechanics formulation. As in Lagrangian neural networks (LNNs), we parameterize the kinetic and potential energies with neural networks. The unknown external forces in the Lagrangian formulation are modeled as white Gaussian noise. The corresponding Euler–Lagrange equations then yield a continuous-time stochastic state-space model (SSM) that describes the system dynamics. The neural network parameters and system states are then jointly learned via a maximum-likelihood method using Gaussian-approximation-based Bayesian filters. The effectiveness of the proposed method is demonstrated on pendulum and Duffing oscillator examples, and its performance is compared with conventional LNNs and with approximate Bayesian filters using known system models.

We present LINet (Linear Integration Network), a Multi-Stream Neural Network (MSNN) for RGB-D scene classification. Current multi-modal architectures treat feature fusion as a discrete, ad-hoc event: early fusion entangles representations prematurely, late fusion isolates them until the final layer, and hybrid or attention-based methods require architectural guesswork to place intermediate fusion blocks. LINet addresses this structural compromise by maintaining three dedicated parallel streams (RGB, depth, and integration) where a novel Linear Integration Convolution (LIConv2d) operator enables continuous cross-modal learning at every layer. The integration stream receives raw filtered signals from both modality streams and combines them before the nonlinear activation threshold, conceptually inspired by somatic integration preceding the neuronal firing decision. Implementing continuous integration exposes a critical initialization pathology: Kaiming initialization of the bridging weights scrambles gradients before they reach the stream backbones, producing a failure mode that resembles overfitting but is corrupted gradient flow. A 1/N constant initialization mitigates this. We employ progressive modality dropout, a curriculum adapted to continuous fusion in which blanking probability increases from zero, preventing pathway collapse, a form of negative co-learning, by forcing robust independent stream representations. Trained from scratch on SUN RGB-D 19-class scene classification, LINet reaches 45.2% mean class accuracy at ResNet18 scale, outperforming prior from-scratch results, and rises to 49.6% with in-domain RGB-D (ScanNet) pretraining.

To enable personalized, real-time coaching using Augmented Reality glasses or fixed camera setups in domains such as sports, cooking, or music, a system must understand not just what a person does, but how well they execute an activity. In an ego-exo video setting, this requires simultaneously detecting individual skilled actions and classifying each as correct or needing improvement, which Ego-Exo4D's proficiency demonstration benchmark formalized. We first adapt seven state-of-the-art temporal action detection architectures to this task, extend the evaluation protocol to disentangle detection from grading, and show that existing methods grade near-randomly. We then introduce SkillSpotter, a pose-aware multi-view architecture that jointly detects and grades skilled actions through three task-specific modules: (1) adaptive temporal suppression to handle the varying density of skilled actions across diverse activities, (2) gated 3D body pose fusion to leverage body kinematics as a complementary signal to visual features, and (3) bidirectional cross-view attention to combine ego and exo views effectively. SkillSpotter improves class-specific mAP from 12.40 to 21.82 (+76%) and balanced accuracy from 55.99% to 60.40% over the best baseline. SkillSpotter's modules transfer to other temporal action detection models with consistent gains, and our method generalizes beyond Ego-Exo4D to HoloAssist. Code: https://github.com/eth-siplab/SkillSpotter

Predicting biomolecular properties from limited labeled data is a central bottleneck in protein engineering and small-molecule design. As strong pretrained encoders now supply rich fixed-length representations, the difficulty has shifted from representation learning to building a data-efficient predictor for the few-shot regime. Tabular foundation models such as TabPFN and TabICL are unlikely candidates for this role: they are in-context learners pretrained on synthetic tables drawn from random causal graphs, a generative prior with no obvious correspondence to the processes that produce protein sequences or molecular graphs. That this tabular, causal inductive bias should transfer to biomolecular data at all is counter-intuitive, yet we find it does. Treating each method as a predictor-representation pair, we evaluate across two domains. We find that on protein fitness regression tasks these in-context learning models coupled with ESM Cambrian representations achieve or exceed state-of-the-art results on ProteinGym, and outperform task-specific supervised regressors on a diverse esterase catalytic activity dataset. For small-molecule classification with ECFP/RDKit descriptors, no single predictor-representation pairing dominates across TDC ADMET, MoleculeNet, FS-Mol, and DrugOOD, but they are competitive with the existing task-specific state-of-the-art. Crucially, on both protein and small-molecule few-shot tasks, these predictor-representation pairs offer strong performance. We conclude that tabular foundation models can be strong biomolecular predictors, but only when coupled with expressive representations.

Graphs are commonly visualized in 2D, where humans readily interpret spatial relationships, yet such layouts often distort higher-dimensional structure. We propose to embed graphs in high-dimensional space and search for informative 2D viewpoints that optimize aesthetic and readability metrics (e.g., edge crossings and angular resolution), enabled by a novel differentiable surrogate for edge crossings. Numerical experiments show that these viewpoints consistently outperform standard 2D layouts, and can even surpass methods explicitly designed to optimize these metrics. We further introduce DataFly, an interactive system for exploring multiple candidate viewpoints through seamless navigation. A usability study demonstrates that our approach reveals structural patterns that remain hidden in conventional 2D visualizations.

Artificial neural networks (NNs) and machine learning (ML) algorithms are poorly understood from a theoretical perspective, which makes it difficult to fully realize their potential and overcome their weaknesses. For instance, ML algorithms train NN weights by moving them along a low-dimensional subspace of their allowed values, but this implicitly low-dimensional learning structure is not properly exploited to improve training because its nature is not well understood. Moreover, trained NNs are easily confused by pervasive adversarial attacks whose theoretical underpinnings are still unclear. This thesis aims to improve our theoretical understanding of NNs and ML, with a particular focus on adversarial attacks and implicitly low-dimensional learning. For this purpose, we use mathematical tools from statistical mechanics to study different types of NNs and ways in which they can fit the data. In particular, we study two classes of models that fit the data with various degrees of learning and memorization: dense associative memory (DAM) and restricted Boltzmann machines (RBM). In the process, we investigate connections between different versions of these models that are useful to make analytical investigations more efficient.