Despite tremendous advancements of machine learning models and algorithms in various application domains, they are known to be vulnerable to subtle, natural or intentionally crafted perturbations in future input data, known as adversarial attacks. While numerous adversarial learning methods have been proposed, fundamental questions about their statistical optimality in robust loss remain largely unanswered. In particular, the minimax rate of convergence and the construction of rate-optimal estimators under future $X$-attacks are yet to be worked out. In this paper, we address this issue in the context of nonparametric regression, under suitable assumptions on the smoothness of the regression function and the geometric structure of the input perturbation set. We first establish the minimax rate of convergence under adversarial $L_q$-risks with $1 \leq q \leq \infty$ and propose a piecewise local polynomial estimator that achieves the minimax optimality. The established minimax rate elucidates how the smoothness level and perturbation magnitude affect the fundamental limit of adversarial learning under future $X$-attacks. Furthermore, we construct a data-driven adaptive estimator that is shown to achieve, within a logarithmic factor, the optimal rate across a broad scale of nonparametric and adversarial classes.

We study the problem of estimating eigenpairs of elliptic differential operators from samples of a distribution $ρ$ supported on a manifold $M$. The operators discussed in the paper are relevant in unsupervised learning and in particular are obtained by taking suitable scaling limits of widely used graph Laplacians over data clouds. We study the minimax risk for this eigenpair estimation problem and explore the rates of approximation that can be achieved by commonly used graph Laplacians built from random data. More concretely, assuming that $ρ$ belongs to a certain family of distributions with controlled second derivatives, and assuming that the $d$-dimensional manifold $M$ where $ρ$ is supported has bounded geometry, we prove that the statistical minimax rate for approximating eigenvalues and eigenvectors in the $H^1(M)$-sense is $n^{-2/(d+4)}$, a rate that matches the minimax rate for a closely related density estimation problem. We then revisit the literature studying Laplacians over proximity graphs in the large data limit and prove that, under slightly stronger regularity assumptions on the data generating model, eigenpairs of graph Laplacians induce manifold agnostic estimators with an error of approximation that, up to logarithmic corrections, matches our lower bounds. Our analysis allows us to expand the existing literature on graph-based learning in at least two significant ways: 1) we consider stronger norms to measure the error of approximation than the ones that had been analyzed in the past; 2) our rates of convergence are uniform over a family of smooth distributions and do not just apply to densities with special symmetries, and, as a consequence of our lower bounds, are essentially sharp when the connectivity of the graph is sufficiently high.

Speculative decoding has emerged as a promising approach to accelerating large language model (LLM) generation using a fast drafter while maintaining alignment with the target model's distribution. However, existing approaches face a trade-off: external drafters offer flexibility but can suffer from slower drafting, while self-speculation methods use drafters tailored to the target model but require re-training. In this paper, we introduce novel drafters based on Mamba, a state-of-the-art state space model (SSM), as a solution that combines the best aspects of both approaches. By leveraging the linear structure of SSMs, our approach avoids the quadratic complexity inherent in traditional Transformer-based methods, enabling faster drafting and lower memory usage while maintaining the flexibility to work across different target models. We further enhance efficiency with a novel test-time tree search algorithm for generating high-quality draft candidates. Our empirical evaluation demonstrates that Mamba-based drafters not only outperform existing external drafting methods but are also comparable to state-of-the-art self-speculation approaches while using less memory and maintaining their cross-model adaptability.

Efficiently compiling quantum operations remains a major bottleneck in scaling quantum computing. Today's state-of-the-art methods achieve low compilation error by combining search algorithms with gradient-based parameter optimization, but they incur long runtimes and require multiple calls to quantum hardware or expensive classical simulations, making their scaling prohibitive. Recently, machine-learning models have emerged as an alternative, though they are currently restricted to discrete gate sets. Here, we introduce a multimodal denoising diffusion model that simultaneously generates a circuit's structure and its continuous parameters for compiling a target unitary. It leverages two independent diffusion processes, one for discrete gate selection and one for parameter prediction. We benchmark the model over different experiments, analyzing the method's accuracy across varying qubit counts, circuit depths, and proportions of parameterized gates. Finally, by exploiting its rapid circuit generation, we create large datasets of circuits for particular operations and use these to extract valuable heuristics that can help us discover new insights into quantum circuit synthesis.

In this work, we establish a novel theoretical connection between supervised fine-tuning and offline reinforcement learning under the token-level Markov decision process, revealing that large language models indeed learn an implicit $Q$-function for inference. Through this theoretical lens, we demonstrate that the widely used beam search method suffers from unacceptable over-optimism, where inference errors are inevitably amplified due to inflated $Q$-value estimations of suboptimal steps. To address this limitation, we propose Supervised Optimism Correction(SOC), which introduces a simple yet effective auxiliary loss for token-level $Q$-value estimations during supervised fine-tuning. Specifically, the auxiliary loss employs implicit value regularization to boost model confidence in expert-demonstrated responses, thereby suppressing over-optimism toward insufficiently supervised responses. Extensive experiments on mathematical reasoning benchmarks, including GSM8K, MATH, and GAOKAO, showcase the superiority of the proposed SOC with beam search across a series of open-source models.

Since the advent of AI, games have served as progress benchmarks. Meanwhile, imperfect-information variants of chess have existed for over a century, present extreme challenges, and have been the focus of significant AI research. Beyond calculation needed in regular chess, they require reasoning about information gathering, the opponent's knowledge, signaling, etc. The most popular variant, Fog of War (FoW) chess (aka. dark chess) is a recognized challenge problem in AI after superhuman performance was reached in no-limit Texas hold'em poker. We present Obscuro, the first superhuman AI for FoW chess. It introduces advances to search in imperfect-information games, enabling strong, scalable reasoning. Experiments against the prior state-of-the-art AI and human players -- including the world's best -- show that Obscuro is significantly stronger. FoW chess is the largest (by amount of imperfect information) turn-based game in which superhuman performance has been achieved and the largest game in which imperfect-information search has been successfully applied.

Structured data-quality issues, such as missing values correlated with demographics, culturally biased labels, or systemic selection biases, routinely degrade the reliability of machine-learning pipelines. Regulators now increasingly demand evidence that high-stakes systems can withstand these realistic, interdependent errors, yet current robustness evaluations typically use random or overly simplistic corruptions, leaving worst-case scenarios unexplored. We introduce SAVAGE, a causally inspired framework that (i) formally models realistic data-quality issues through dependency graphs and flexible corruption templates, and (ii) systematically discovers corruption patterns that maximally degrade a target performance metric. SAVAGE employs a bi-level optimization approach to efficiently identify vulnerable data subpopulations and fine-tune corruption severity, treating the full ML pipeline, including preprocessing and potentially non-differentiable models, as a black box. Extensive experiments across multiple datasets and ML tasks (data cleaning, fairness-aware learning, uncertainty quantification) demonstrate that even a small fraction (around 5 %) of structured corruptions identified by SAVAGE severely impacts model performance, far exceeding random or manually crafted errors, and invalidating core assumptions of existing techniques. Thus, SAVAGE provides a practical tool for rigorous pipeline stress-testing, a benchmark for evaluating robustness methods, and actionable guidance for designing more resilient data workflows.

--Despite its improvements in coding performance compared to traditional codecs, Learned Image Compression (LIC) suffers from large computational costs for storage and deployment. Model quantization offers an effective solution to reduce the computational complexity of LIC models. However, most existing works perform fixed-precision quantization which suffers from sub-optimal utilization of resources due to the varying sensitivity to quantization of different layers of a neural network. In this paper, we propose a Flexible Mixed Precision Quantization (FMPQ) method that assigns different bit-widths to different layers of the quantized network using the fractional change in rate-distortion loss as the bit-assignment criterion. We also introduce an adaptive search algorithm which reduces the time-complexity of searching for the desired distribution of quantization bit-widths given a fixed model size. Evaluation of our method shows improved BD-Rate performance under similar model size constraints compared to other works on quantization of LIC models. We have made the source code available at gitlab.com/viper-purdue/fmpq.

Designing protein sequences that fold into a target 3D structure, known as protein inverse folding, is a fundamental challenge in protein engineering. While recent deep learning methods have achieved impressive performance by recovering native sequences, they often overlook the one-to-many nature of the problem: multiple diverse sequences can fold into the same structure. This motivates the need for a generative model capable of designing diverse sequences while preserving structural consistency. To address this trade-off, we introduce ProtInvTree, the first reward-guided tree-search framework for protein inverse folding. ProtInvTree reformulates sequence generation as a deliberate, step-wise decision-making process, enabling the exploration of multiple design paths and exploitation of promising candidates through self-evaluation, lookahead, and backtracking. We propose a two-stage focus-and-grounding action mechanism that decouples position selection and residue generation. To efficiently evaluate intermediate states, we introduce a jumpy denoising strategy that avoids full rollouts. Built upon pretrained protein language models, ProtInvTree supports flexible test-time scaling by expanding the search depth and breadth without retraining. Empirically, ProtInvTree outperforms state-of-the-art baselines across multiple benchmarks, generating structurally consistent yet diverse sequences, including those far from the native ground truth.

Input-output robustness appears in various different forms in the literature, such as robustness of AI models to adversarial or semantic perturbations and individual fairness of AI models that make decisions about humans. We propose runtime monitoring of input-output robustness of deployed, black-box AI models, where the goal is to design monitors that would observe one long execution sequence of the model, and would raise an alarm whenever it is detected that two similar inputs from the past led to dissimilar outputs. This way, monitoring will complement existing offline ``robustification'' approaches to increase the trustworthiness of AI decision-makers. We show that the monitoring problem can be cast as the fixed-radius nearest neighbor (FRNN) search problem, which, despite being well-studied, lacks suitable online solutions. We present our tool Clemont, which offers a number of lightweight monitors, some of which use upgraded online variants of existing FRNN algorithms, and one uses a novel algorithm based on binary decision diagrams -- a data-structure commonly used in software and hardware verification. We have also developed an efficient parallelization technique that can substantially cut down the computation time of monitors for which the distance between input-output pairs is measured using the $L_\infty$ norm. Using standard benchmarks from the literature of adversarial and semantic robustness and individual fairness, we perform a comparative study of different monitors in \tool, and demonstrate their effectiveness in correctly detecting robustness violations at runtime.