Multi-modal Large Language Models (MLLMs) have made substantial advances on benchmarks, yet their real-world effectiveness remains uncertain. This gap stems from the fundamental misalignment between benchmarks in controlled, static settings and the dynamic, interactive, and contextualized nature of real-world applications. To bridge this gap, we propose CEDI (Contextualized Evaluation of MLLMs through Dynamic, multi-round Interactions), a framework that recasts evaluation as a three-party interaction between an evaluatee model, an automated examiner, and a grader. The examiner conducts multi-turn, semi-structured conversations guided by a graph-based representation of the task. By navigating state-space transitions, CEDI deploys diverse strategies, from clarification requests to adversarial probes, to elicit performance evidence. We apply CEDI to visual hallucinations. Empirical results across multiple models, diverse settings, datasets, and domains show that contextualized, interactive evaluations reveal not only significantly more hallucinations than conventional static evaluation but also ones that more closely resemble those arising in practical use cases. We further show that hallucinations often accumulate over long contexts, through self-reinforcing dialogue history, and models are particularly vulnerable to questions requiring premise rejection or refusal. Together, these findings highlight CEDI as a step toward realistic, systematic, and ecologically valid assessments of MLLMs' capabilities. Code is available at github.com/williamium3000/cedi.
Multilingual large language models often produce inconsistent reasoning and answers for semantically equivalent prompts in different languages. Prior work suggests that intermediate representations can be relatively language-agnostic, but generation becomes increasingly language-specific as models commit to discrete output tokens. This is problematic because language-specific lexical choices can cause semantically equivalent reasoning paths to diverge across languages. These divergences motivate searching for a cross-lingual alignment signal that is less tied to any single vocabulary item or script. We propose SOLAR, an auxiliary objective for supervised fine-tuning that aligns soft-token representations across languages, using English as a pivot. Soft tokens are probability-weighted mixtures over the vocabulary embeddings, yielding continuous representations that can aggregate information from semantically related tokens across languages. We then align each non-English soft-token summary to its English counterpart in the shared embedding space. Across four multilingual reasoning benchmarks, SOLAR improves accuracy by up to +17.7 points over the base model and +3.8 over standard supervised fine-tuning, with the largest gains on low-resource languages. SOLAR also strengthens final-layer cross-lingual similarity and substantially reduces language-cluster separability, suggesting that aligning soft-token representations helps preserve shared semantic structure during multilingual reasoning.
Power-outage planning requires scenarios before an event occurs. These scenarios must represent uncertainty in magnitude, timing, and duration while preserving temporal dependence. However, severe events are rare, and data from any single region contain few examples of extreme outage and restoration patterns. To address this challenge, we introduce OutageDiT, a foundation model for generating seven-day outage trajectories at 15-minute resolution, trained on outage and weather records across the United States. Specifically, a condition encoder processes historical context and known future covariates once per forecast, and a shallow flow-matching decoder reuses the resulting horizon-aligned states to sample complete outage trajectories. This enables point forecasting, uncertainty quantification, and conditional scenario generation within one deep generative model. Across outage forecasting benchmarks, OutageDiT improves forecast accuracy and scenario quality over strong baselines and supports zero-shot transfer to held-out regions. Together, these results position conditional outage scenario generation as a bridge from outage forecasting to operational planning under uncertainty.
Implicit Neural Representations (INRs) have recently shown impressive results, but their fundamental capacity, implicit biases, and scaling behavior remain poorly understood. We investigate the performance of diverse INRs across a suite of 2D and 3D real and synthetic signals with varying effective bandwidth, as well as both overfitting and generalization tasks including tomography, super-resolution, and denoising. By stratifying performance according to model size as well as signal type and bandwidth, our results shed light on how different INR and grid representations allocate their capacity. We find that, for most tasks and signals, a simple regularized grid with interpolation trains faster and to higher quality than any INR with the same number of parameters. We also find limited settings where INRs outperform grids -- namely fitting signals with underlying lower-dimensional structure such as shape contours -- to guide future use of INRs towards the most advantageous applications. Code and synthetic signals used in our analysis are available at https://github.com/voilalab/INR-benchmark.
This paper studies a Conformal Prediction (CP) methodology for building prediction intervals in a regression setting, given only deterministic lower and upper bounds on the target variable. It proposes a new CP mechanism (CPUL) that goes beyond post-processing by adopting a model selection approach over multiple nested interval construction methods. Paradoxically, many well-established CP methods, including CPUL, may fail to provide adequate coverage in regions where the bounds are tight. To remedy this limitation, the paper proposes an optimal thresholding mechanism, OMLT, that adjusts CPUL intervals in tight regions with undercoverage. The combined CPUL-OMLT is validated on large-scale learning tasks where the goal is to bound the optimal value of a parametric optimization problem. The experimental results demonstrate substantial improvements over baseline methods across various datasets.
Mutual information (MI) is a measure of statistical dependencies between two variables, widely used in data analysis. Thus, accurate methods for estimating MI from empirical data are crucial. Such estimation is a hard problem, and there are provably no estimators that are universally good for finite datasets. Common estimators struggle with high-dimensional data, which is a staple of modern experiments. Recently, promising machine learning-based MI estimation methods have emerged. Yet it remains unclear if and when they produce accurate results, depending on dataset sizes, statistical structure of the data, and hyperparameters of the estimators, such as the embedding dimensionality or the duration of training. There are also no accepted tests to signal when the estimators are inaccurate. Here, we systematically explore these gaps. We propose and validate a protocol for MI estimation that includes explicit checks ensuring reliability and statistical consistency. Contrary to accepted wisdom, we demonstrate that reliable MI estimation is achievable even with severely undersampled, high-dimensional datasets, provided these data admit accurate low-dimensional representations. These findings broaden the potential use of machine learning-based MI estimation methods in real-world data analysis and provide new insights into when and why modern high-dimensional, self-supervised algorithms perform effectively.
Conformal prediction for time series presents two key challenges: (1) leveraging sequential correlations in features and non-conformity scores and (2) handling multi-dimensional outcomes. We propose a novel conformal prediction method to address these two key challenges by integrating Transformer and Normalizing Flow. Specifically, the Transformer encodes the historical context of time series, and normalizing flow learns the transformation from the base distribution to the distribution of non-conformity scores conditioned on the encoded historical context. This enables the construction of prediction regions by transforming samples from the base distribution using the learned conditional flow. We ensure the marginal coverage by defining the prediction regions as sets in the transformed space that correspond to a predefined probability mass in the base distribution. The model is trained end-to-end by Flow Matching, avoiding the need for computationally intensive numerical solutions of ordinary differential equations. We demonstrate that our proposed method achieves smaller prediction regions compared to the baselines while satisfying the desired coverage through comprehensive experiments using simulated and real-world time series datasets.
The exponential growth of artificial intelligence (AI) applications has exposed the inefficiency of conventional von Neumann architectures, where frequent data transfers between compute units and memory create significant energy and latency bottlenecks. Analog Computing-in-Memory (ACIM) addresses this challenge by performing multiply-accumulate (MAC) operations directly in the memory arrays, substantially reducing data movement. However, designing robust ACIM accelerators requires accurate modeling of device- and circuit-level non-idealities. In this work, we present NeuroSim V1.5, introducing several key advances: (1) seamless integration with TensorRT's post-training quantization flow enabling support for more neural networks including transformers, (2) a flexible noise injection methodology built on pre-characterized statistical models, making it straightforward to incorporate data from SPICE simulations or silicon measurements, (3) expanded device support including emerging non-volatile capacitive memories, and (4) up to 6.5x faster runtime than NeuroSim V1.4 through optimized behavioral simulation. The combination of these capabilities uniquely enables systematic design space exploration across both accuracy and hardware efficiency metrics. Through multiple case studies, we demonstrate optimization of critical design parameters while maintaining network accuracy. By bridging high-fidelity noise modeling with efficient simulation, NeuroSim V1.5 advances the design and validation of next-generation ACIM accelerators. All NeuroSim versions are available open-source at https://github.com/neurosim/NeuroSim.
The rapid evolution of Large Language Models (LLMs) has driven the need for increasingly sophisticated inference pipelines and hardware platforms. Modern LLM serving extends beyond traditional prefill-decode workflows, incorporating multi-stage processes such as Retrieval Augmented Generation (RAG), key-value (KV) cache retrieval, dynamic model routing, and multi step reasoning. These stages exhibit diverse computational demands, requiring distributed systems that integrate GPUs, ASICs, CPUs, and memory-centric architectures. However, existing simulators lack the fidelity to model these heterogeneous, multi-engine workflows, limiting their ability to inform architectural decisions. To address this gap, we introduce HERMES, a Heterogeneous Multi-stage LLM inference Execution Simulator. HERMES models diverse request stages; including RAG, KV retrieval, reasoning, prefill, and decode across complex hardware hierarchies. HERMES supports heterogeneous clients executing multiple models concurrently unlike prior frameworks while incorporating advanced batching strategies and multi-level memory hierarchies. By integrating real hardware traces with analytical modeling, HERMES captures critical trade-offs such as memory bandwidth contention, inter-cluster communication latency, and batching efficiency in hybrid CPU-accelerator deployments. Through case studies, we explore the impact of reasoning stages on end-to-end latency, optimal batching strategies for hybrid pipelines, and the architectural implications of remote KV cache retrieval. HERMES empowers system designers to navigate the evolving landscape of LLM inference, providing actionable insights into optimizing hardware-software co-design for next-generation AI workloads.
Graph Neural Networks (GNNs) have been widely adopted for their ability to compute expressive node representations in graph datasets. However, serving GNNs on large graphs is challenging due to the high communication, computation, and memory overheads of constructing and executing computation graphs, which represent information flow across large neighborhoods. Existing approximation techniques in training can mitigate the overheads but, in serving, still lead to high latency and/or accuracy loss. To this end, we propose OMEGA, a system that enables low-latency GNN serving for large graphs with minimal accuracy loss through two key ideas. First, OMEGA employs selective recomputation of precomputed embeddings, which allows for reusing precomputed computation subgraphs while selectively recomputing a small fraction to minimize accuracy loss. Second, we develop computation graph parallelism, which reduces communication overhead by parallelizing the creation and execution of computation graphs across machines. Our evaluation with large graph datasets and GNN models shows that OMEGA significantly outperforms state-of-the-art techniques.
We consider a minimax problem motivated by distributionally robust optimization (DRO) when the worst-case distribution is continuous, leading to significant computational challenges due to the infinite-dimensional nature of the optimization problem. Recent research has explored learning the worst-case distribution using neural network-based generative models to address these computational challenges but lacks algorithmic convergence guarantees. This paper bridges this theoretical gap by presenting an iterative algorithm to solve such a minimax problem, achieving global convergence under mild assumptions and leveraging technical tools from vector space minimax optimization and convex analysis in the space of continuous probability densities. In particular, leveraging Brenier's theorem, we represent the worst-case distribution as a transport map applied to a continuous reference measure and reformulate the regularized discrepancy-based DRO as a minimax problem in the Wasserstein space. Furthermore, we demonstrate that the worst-case distribution can be efficiently computed using a modified Jordan-Kinderlehrer-Otto (JKO) scheme with sufficiently large regularization parameters for commonly used discrepancy functions, linked to the radius of the ambiguity set. Additionally, we derive the global convergence rate and quantify the total number of subgradient and inexact modified JKO iterations required to obtain approximate stationary points. These results are potentially applicable to nonconvex and nonsmooth scenarios, with broad relevance to modern machine learning applications.
This paper proposes a novel termination criterion, termed the advantage gap function, for finite state and action Markov decision processes (MDP) and reinforcement learning (RL). By incorporating this advantage gap function into the design of step size rules and deriving a new linear rate of convergence that is independent of the stationary state distribution of the optimal policy, we demonstrate that policy gradient methods can solve MDPs in strongly-polynomial time. To the best of our knowledge, this is the first time that such strong convergence properties have been established for policy gradient methods. Moreover, in the stochastic setting, where only stochastic estimates of policy gradients are available, we show that the advantage gap function provides close approximations of the optimality gap for each individual state and exhibits a sublinear rate of convergence at every state. The advantage gap function can be easily estimated in the stochastic case, and when coupled with easily computable upper bounds on policy values, they provide a convenient way to validate the solutions generated by policy gradient methods. Therefore, our developments offer a principled and computable measure of optimality for RL, whereas current practice tends to rely on algorithm-to-algorithm or baselines comparisons with no certificate of optimality.
Anomaly detection is an important problem in many application areas, such as network security. Many deep learning methods for unsupervised anomaly detection produce good empirical performance but lack theoretical guarantees. By casting anomaly detection into a binary classification problem, we establish non-asymptotic upper bounds and a convergence rate on the excess risk on rectified linear unit (ReLU) neural networks trained on synthetic anomalies. Our convergence rate on the excess risk matches the minimax optimal rate in the literature. Furthermore, we provide lower and upper bounds on the number of synthetic anomalies that can attain this optimality. For practical implementation, we relax some conditions to improve the search for the empirical risk minimizer, which leads to competitive performance to other classification-based methods for anomaly detection. Overall, our work provides the first theoretical guarantees of unsupervised neural network-based anomaly detectors and empirical insights on how to design them well.
We consider a nonlinear control system modeled as an ordinary differential equation subject to disturbance, with a state feedback controller parameterized as a feedforward neural network. We propose a framework for training controllers with certified robust forward invariant polytopes, where any trajectory initialized inside the polytope remains within the polytope, regardless of the disturbance. First, we parameterize a family of lifted control systems in a higher dimensional space, where the original neural controlled system evolves on an invariant subspace of each lifted system. We use interval analysis and neural network verifiers to further construct a family of lifted embedding systems, carefully capturing the knowledge of this invariant subspace. If the vector field of any lifted embedding system satisfies a sign constraint at a single point, then a certain convex polytope of the original system is robustly forward invariant. Treating the neural network controller and the lifted system parameters as variables, we propose an algorithm to train controllers with certified forward invariant polytopes in the closed-loop control system. Through two examples, we demonstrate how the simplicity of the sign constraint allows our approach to scale with system dimension to over $50$ states, and outperform state-of-the-art Lyapunov-based sampling approaches in runtime.
Recent approaches to controlled text generation (CTG) often involve manipulating the weights or logits of base language models (LMs) at decoding time. However, these methods are inapplicable to latest black-box LMs and ineffective at preserving the core semantics of the base LM's original generations. In this work, we propose Locate&Edit(L&E), an efficient and flexible energy-based approach to CTG, which edits text outputs from a base LM using off-the-shelf energy models. Given text outputs from the base LM, L&E first locates spans that are most relevant to constraints (e.g., toxicity) utilizing energy models, and then edits these spans by replacing them with more suitable alternatives. Importantly, our method is compatible with black-box LMs, as it requires only the text outputs. Also, since L&E doesn't mandate specific architecture for its component models, it can work with a diverse combination of available off-the-shelf models. Moreover, L&E preserves the base LM's original generations, by selectively modifying constraint-related aspects of the texts and leaving others unchanged. These targeted edits also ensure that L&E operates efficiently. Our experiments confirm that L&E achieves superior semantic preservation of the base LM generations and speed, while simultaneously obtaining competitive or improved constraint satisfaction. Furthermore, we analyze how the granularity of energy distribution impacts CTG performance and find that fine-grained, regression-based energy models improve constraint satisfaction, compared to conventional binary classifier energy models.
We present a new random walk for uniformly sampling high-dimensional convex bodies. It achieves state-of-the-art runtime complexity with stronger guarantees on the output than previously known, namely in R\'enyi divergence (which implies TV, $\mathcal{W}_2$, KL, $\chi^2$). The proof departs from known approaches for polytime algorithms for the problem -- we utilize a stochastic diffusion perspective to show contraction to the target distribution with the rate of convergence determined by functional isoperimetric constants of the stationary density.
In computed tomography (CT), the forward model consists of a linear Radon transform followed by an exponential nonlinearity based on the attenuation of light according to the Beer-Lambert Law. Conventional reconstruction often involves inverting this nonlinearity as a preprocessing step and then solving a convex inverse problem. However, this nonlinear measurement preprocessing required to use the Radon transform is poorly conditioned in the vicinity of high-density materials, such as metal. This preprocessing makes CT reconstruction methods numerically sensitive and susceptible to artifacts near high-density regions. In this paper, we study a technique where the signal is directly reconstructed from raw measurements through the nonlinear forward model. Though this optimization is nonconvex, we show that gradient descent provably converges to the global optimum at a geometric rate, perfectly reconstructing the underlying signal with a near minimal number of random measurements. We also prove similar results in the under-determined setting where the number of measurements is significantly smaller than the dimension of the signal. This is achieved by enforcing prior structural information about the signal through constraints on the optimization variables. We illustrate the benefits of direct nonlinear CT reconstruction with cone-beam CT experiments on synthetic and real 3D volumes. We show that this approach reduces metal artifacts compared to a commercial reconstruction of a human skull with metal dental crowns.
Reinforcement learning (RL) problems over general state and action spaces are notoriously challenging. In contrast to the tableau setting, one can not enumerate all the states and then iteratively update the policies for each state. This prevents the application of many well-studied RL methods especially those with provable convergence guarantees. In this paper, we first present a substantial generalization of the recently developed policy mirror descent method to deal with general state and action spaces. We introduce new approaches to incorporate function approximation into this method, so that we do not need to use explicit policy parameterization at all. Moreover, we present a novel policy dual averaging method for which possibly simpler function approximation techniques can be applied. We establish linear convergence rate to global optimality or sublinear convergence to stationarity for these methods applied to solve different classes of RL problems under exact policy evaluation. We then define proper notions of the approximation errors for policy evaluation and investigate their impact on the convergence of these methods applied to general-state RL problems with either finite-action or continuous-action spaces. To the best of our knowledge, the development of these algorithmic frameworks as well as their convergence analysis appear to be new in the literature. Preliminary numerical results demonstrate the robustness of the aforementioned methods and show they can be competitive with state-of-the-art RL algorithms.
A primal-dual accelerated stochastic gradient descent with variance reduction algorithm (PDASGD) is proposed to solve linear-constrained optimization problems. PDASGD could be applied to solve the discrete optimal transport (OT) problem and enjoys the best-known computational complexity -- $\widetilde{\mathcal{O}}(n^2/\epsilon)$, where $n$ is the number of atoms, and $\epsilon>0$ is the accuracy. In the literature, some primal-dual accelerated first-order algorithms, e.g., APDAGD, have been proposed and have the order of $\widetilde{\mathcal{O}}(n^{2.5}/\epsilon)$ for solving the OT problem. To understand why our proposed algorithm could improve the rate by a factor of $\widetilde{\mathcal{O}}(\sqrt{n})$, the conditions under which our stochastic algorithm has a lower order of computational complexity for solving linear-constrained optimization problems are discussed. It is demonstrated that the OT problem could satisfy the aforementioned conditions. Numerical experiments demonstrate superior practical performances of the proposed PDASGD algorithm for solving the OT problem.
The rapid recent progress in machine learning (ML) has raised a number of scientific questions that challenge the longstanding dogma of the field. One of the most important riddles is the good empirical generalization of overparameterized models. Overparameterized models are excessively complex with respect to the size of the training dataset, which results in them perfectly fitting (i.e., interpolating) the training data, which is usually noisy. Such interpolation of noisy data is traditionally associated with detrimental overfitting, and yet a wide range of interpolating models -- from simple linear models to deep neural networks -- have recently been observed to generalize extremely well on fresh test data. Indeed, the recently discovered double descent phenomenon has revealed that highly overparameterized models often improve over the best underparameterized model in test performance. Understanding learning in this overparameterized regime requires new theory and foundational empirical studies, even for the simplest case of the linear model. The underpinnings of this understanding have been laid in very recent analyses of overparameterized linear regression and related statistical learning tasks, which resulted in precise analytic characterizations of double descent. This paper provides a succinct overview of this emerging theory of overparameterized ML (henceforth abbreviated as TOPML) that explains these recent findings through a statistical signal processing perspective. We emphasize the unique aspects that define the TOPML research area as a subfield of modern ML theory and outline interesting open questions that remain.