arXiv subjects

Sunil Gupta

Publications and source records attributed to Sunil Gupta.

At least 37 records · Page 2Linked to original sources

arXiv2025

Federated Domain Generalization with Latent Space Inversion

Federated domain generalization (FedDG) addresses distribution shifts among clients in a federated learning framework. FedDG methods aggregate the parameters of locally trained client models to form a global model that generalizes to unseen clients while preserving data privacy. While improving the generalization capability of the global model, many existing approaches in FedDG jeopardize privacy by sharing statistics of client data between themselves. Our solution addresses this problem by contributing new ways to perform local client training and model aggregation. To improve local client training, we enforce (domain) invariance across local models with the help of a novel technique, \textbf{latent space inversion}, which enables better client privacy. When clients are not \emph{i.i.d}, aggregating their local models may discard certain local adaptations. To overcome this, we propose an \textbf{important weight} aggregation strategy to prioritize parameters that significantly influence predictions of local models during aggregation. Our extensive experiments show that our approach achieves superior results over state-of-the-art methods with less communication overhead.

cs.LG↗

arXiv2025

Probabilities Are All You Need: A Probability-Only Approach to Uncertainty Estimation in Large Language Models

Large Language Models (LLMs) exhibit strong performance across various natural language processing (NLP) tasks but remain vulnerable to hallucinations, generating factually incorrect or misleading outputs. Uncertainty estimation, often using predictive entropy estimation, is key to addressing this issue. However, existing methods often require multiple samples or extra computation to assess semantic entropy. This paper proposes an efficient, training-free uncertainty estimation method that approximates predictive entropy using the responses' top-$K$ probabilities. Moreover, we employ an adaptive mechanism to determine $K$ to enhance flexibility and filter out low-confidence probabilities. Experimental results on three free-form question-answering datasets across several LLMs demonstrate that our method outperforms expensive state-of-the-art baselines, contributing to the broader goal of enhancing LLM trustworthiness.

cs.LG↗

arXiv2025

GRAD: Graph-Retrieved Adaptive Decoding for Hallucination Mitigation

Hallucination mitigation remains a persistent challenge for large language models (LLMs), even as model scales grow. Existing approaches often rely on external knowledge sources, such as structured databases or knowledge graphs, accessed through prompting or retrieval. However, prompt-based grounding is fragile and domain-sensitive, while symbolic knowledge integration incurs heavy retrieval and formatting costs. Motivated by knowledge graphs, we introduce Graph-Retrieved Adaptive Decoding (GRAD), a decoding-time method that grounds generation in corpus-derived evidence without retraining. GRAD constructs a sparse token transition graph by accumulating next-token logits across a small retrieved corpus in a single forward pass. During decoding, graph-retrieved logits are max-normalized and adaptively fused with model logits to favor high-evidence continuations while preserving fluency. Across three models and a range of question-answering benchmarks spanning intrinsic, extrinsic hallucination, and factuality tasks, GRAD consistently surpasses baselines, achieving up to 9.7$\%$ higher intrinsic accuracy, 8.6$\%$ lower hallucination rates, and 6.9$\%$ greater correctness compared to greedy decoding, while attaining the highest truth--informativeness product score among all methods. GRAD offers a lightweight, plug-and-play alternative to contrastive decoding and knowledge graph augmentation, demonstrating that statistical evidence from corpus-level token transitions can effectively steer generation toward more truthful and verifiable outputs.

cs.CL↗

arXiv2025

DmC: Nearest Neighbor Guidance Diffusion Model for Offline Cross-domain Reinforcement Learning

Cross-domain offline reinforcement learning (RL) seeks to enhance sample efficiency in offline RL by utilizing additional offline source datasets. A key challenge is to identify and utilize source samples that are most relevant to the target domain. Existing approaches address this challenge by measuring domain gaps through domain classifiers, target transition dynamics modeling, or mutual information estimation using contrastive loss. However, these methods often require large target datasets, which is impractical in many real-world scenarios. In this work, we address cross-domain offline RL under a limited target data setting, identifying two primary challenges: (1) Dataset imbalance, which is caused by large source and small target datasets and leads to overfitting in neural network-based domain gap estimators, resulting in uninformative measurements; and (2) Partial domain overlap, where only a subset of the source data is closely aligned with the target domain. To overcome these issues, we propose DmC, a novel framework for cross-domain offline RL with limited target samples. Specifically, DmC utilizes $k$-nearest neighbor ($k$-NN) based estimation to measure domain proximity without neural network training, effectively mitigating overfitting. Then, by utilizing this domain proximity, we introduce a nearest-neighbor-guided diffusion model to generate additional source samples that are better aligned with the target domain, thus enhancing policy learning with more effective source samples. Through theoretical analysis and extensive experiments in diverse MuJoCo environments, we demonstrate that DmC significantly outperforms state-of-the-art cross-domain offline RL methods, achieving substantial performance gains.

cs.LG↗

arXiv2025

Predicting the Reliability of an Image Classifier under Image Distortion

In image classification tasks, deep learning models are vulnerable to image distortions i.e. their accuracy significantly drops if the input images are distorted. An image-classifier is considered "reliable" if its accuracy on distorted images is above a user-specified threshold. For a quality control purpose, it is important to predict if the image-classifier is unreliable/reliable under a distortion level. In other words, we want to predict whether a distortion level makes the image-classifier "non-reliable" or "reliable". Our solution is to construct a training set consisting of distortion levels along with their "non-reliable" or "reliable" labels, and train a machine learning predictive model (called distortion-classifier) to classify unseen distortion levels. However, learning an effective distortion-classifier is a challenging problem as the training set is highly imbalanced. To address this problem, we propose a Gaussian process based method to rebalance the training set. We conduct extensive experiments to show that our method significantly outperforms several baselines on six popular image datasets.

cs.CV↗

arXiv2025

Hybrid Cross-domain Robust Reinforcement Learning

Robust reinforcement learning (RL) aims to learn policies that remain effective despite uncertainties in its environment, which frequently arise in real-world applications due to variations in environment dynamics. The robust RL methods learn a robust policy by maximizing value under the worst-case models within a predefined uncertainty set. Offline robust RL algorithms are particularly promising in scenarios where only a fixed dataset is available and new data cannot be collected. However, these approaches often require extensive offline data, and gathering such datasets for specific tasks in specific environments can be both costly and time-consuming. Using an imperfect simulator offers a faster, cheaper, and safer way to collect data for training, but it can suffer from dynamics mismatch. In this paper, we introduce HYDRO, the first Hybrid Cross-Domain Robust RL framework designed to address these challenges. HYDRO utilizes an online simulator to complement the limited amount of offline datasets in the non-trivial context of robust RL. By measuring and minimizing performance gaps between the simulator and the worst-case models in the uncertainty set, HYDRO employs novel uncertainty filtering and prioritized sampling to select the most relevant and reliable simulator samples. Our extensive experiments demonstrate HYDRO's superior performance over existing methods across various tasks, underscoring its potential to improve sample efficiency in offline robust RL.

cs.LG↗

arXiv2025

Beyond the Known: Decision Making with Counterfactual Reasoning Decision Transformer

Decision Transformers (DT) play a crucial role in modern reinforcement learning, leveraging offline datasets to achieve impressive results across various domains. However, DT requires high-quality, comprehensive data to perform optimally. In real-world applications, the lack of training data and the scarcity of optimal behaviours make training on offline datasets challenging, as suboptimal data can hinder performance. To address this, we propose the Counterfactual Reasoning Decision Transformer (CRDT), a novel framework inspired by counterfactual reasoning. CRDT enhances DT ability to reason beyond known data by generating and utilizing counterfactual experiences, enabling improved decision-making in unseen scenarios. Experiments across Atari and D4RL benchmarks, including scenarios with limited data and altered dynamics, demonstrate that CRDT outperforms conventional DT approaches. Additionally, reasoning counterfactually allows the DT agent to obtain stitching abilities, combining suboptimal trajectories, without architectural modifications. These results highlight the potential of counterfactual reasoning to enhance reinforcement learning agents' performance and generalization capabilities.

cs.AI↗

arXiv2025

High Dimensional Bayesian Optimization using Lasso Variable Selection

Bayesian optimization (BO) is a leading method for optimizing expensive black-box optimization and has been successfully applied across various scenarios. However, BO suffers from the curse of dimensionality, making it challenging to scale to high-dimensional problems. Existing work has adopted a variable selection strategy to select and optimize only a subset of variables iteratively. Although this approach can mitigate the high-dimensional challenge in BO, it still leads to sample inefficiency. To address this issue, we introduce a novel method that identifies important variables by estimating the length scales of Gaussian process kernels. Next, we construct an effective search region consisting of multiple subspaces and optimize the acquisition function within this region, focusing on only the important variables. We demonstrate that our proposed method achieves cumulative regret with a sublinear growth rate in the worst case while maintaining computational efficiency. Experiments on high-dimensional synthetic functions and real-world problems show that our method achieves state-of-the-art performance.

cs.LG↗

arXiv2025

Causal Discovery via Bayesian Optimization

Existing score-based methods for directed acyclic graph (DAG) learning from observational data struggle to recover the causal graph accurately and sample-efficiently. To overcome this, in this study, we propose DrBO (DAG recovery via Bayesian Optimization)-a novel DAG learning framework leveraging Bayesian optimization (BO) to find high-scoring DAGs. We show that, by sophisticatedly choosing the promising DAGs to explore, we can find higher-scoring ones much more efficiently. To address the scalability issues of conventional BO in DAG learning, we replace Gaussian Processes commonly employed in BO with dropout neural networks, trained in a continual manner, which allows for (i) flexibly modeling the DAG scores without overfitting, (ii) incorporation of uncertainty into the estimated scores, and (iii) scaling with the number of evaluations. As a result, DrBO is computationally efficient and can find the accurate DAG in fewer trials and less time than existing state-of-the-art methods. This is demonstrated through an extensive set of empirical evaluations on many challenging settings with both synthetic and real data. Our implementation is available at https://github.com/baosws/DrBO.

cs.LG↗

arXiv2025

Finding the Trigger: Causal Abductive Reasoning on Video Events

This paper introduces a new problem, Causal Abductive Reasoning on Video Events (CARVE), which involves identifying causal relationships between events in a video and generating hypotheses about causal chains that account for the occurrence of a target event. To facilitate research in this direction, we create two new benchmark datasets with both synthetic and realistic videos, accompanied by trigger-target labels generated through a novel counterfactual synthesis approach. To explore the challenge of solving CARVE, we present a Causal Event Relation Network (CERN) that examines the relationships between video events in temporal and semantic spaces to efficiently determine the root-cause trigger events. Through extensive experiments, we demonstrate the critical roles of event relational representation learning and interaction modeling in solving video causal reasoning challenges. The introduction of the CARVE task, along with the accompanying datasets and the CERN framework, will advance future research on video causal reasoning and significantly facilitate various applications, including video surveillance, root-cause analysis and movie content management.

cs.CV↗

arXiv2024

Few-shot Algorithm Assurance

In image classification tasks, deep learning models are vulnerable to image distortion. For successful deployment, it is important to identify distortion levels under which the model is usable i.e. its accuracy stays above a stipulated threshold. We refer to this problem as Model Assurance under Image Distortion, and formulate it as a classification task. Given a distortion level, our goal is to predict if the model's accuracy on the set of distorted images is greater than a threshold. We propose a novel classifier based on a Level Set Estimation (LSE) algorithm, which uses the LSE's mean and variance functions to form the classification rule. We further extend our method to a "few sample" setting where we can only acquire few real images to perform the model assurance process. Our idea is to generate extra synthetic images using a novel Conditional Variational Autoencoder model with two new loss functions. We conduct extensive experiments to show that our classification method significantly outperforms strong baselines on five benchmark image datasets.

cs.CV↗

arXiv2024

Efficient Symmetry-Aware Materials Generation via Hierarchical Generative Flow Networks

Discovering new solid-state materials requires rapidly exploring the vast space of crystal structures and locating stable regions. Generating stable materials with desired properties and compositions is extremely difficult as we search for very small isolated pockets in the exponentially many possibilities, considering elements from the periodic table and their 3D arrangements in crystal lattices. Materials discovery necessitates both optimized solution structures and diversity in the generated material structures. Existing methods struggle to explore large material spaces and generate diverse samples with desired properties and requirements. We propose the Symmetry-aware Hierarchical Architecture for Flow-based Traversal (SHAFT), a novel generative model employing a hierarchical exploration strategy to efficiently exploit the symmetry of the materials space to generate crystal structures given desired properties. In particular, our model decomposes the exponentially large materials space into a hierarchy of subspaces consisting of symmetric space groups, lattice parameters, and atoms. We demonstrate that SHAFT significantly outperforms state-of-the-art iterative generative methods, such as Generative Flow Networks (GFlowNets) and Crystal Diffusion Variational AutoEncoders (CDVAE), in crystal structure generation tasks, achieving higher validity, diversity, and stability of generated structures optimized for target properties and requirements.

cs.LG↗

arXiv2024

Generating Realistic Tabular Data with Large Language Models

While most generative models show achievements in image data generation, few are developed for tabular data generation. Recently, due to success of large language models (LLM) in diverse tasks, they have also been used for tabular data generation. However, these methods do not capture the correct correlation between the features and the target variable, hindering their applications in downstream predictive tasks. To address this problem, we propose a LLM-based method with three important improvements to correctly capture the ground-truth feature-class correlation in the real data. First, we propose a novel permutation strategy for the input data in the fine-tuning phase. Second, we propose a feature-conditional sampling approach to generate synthetic samples. Finally, we generate the labels by constructing prompts based on the generated samples to query our fine-tuned LLM. Our extensive experiments show that our method significantly outperforms 10 SOTA baselines on 20 datasets in downstream tasks. It also produces highly realistic synthetic samples in terms of quality and diversity. More importantly, classifiers trained with our synthetic data can even compete with classifiers trained with the original data on half of the benchmark datasets, which is a significant achievement in tabular data generation.

cs.LG↗

arXiv2024

Stable Hadamard Memory: Revitalizing Memory-Augmented Agents for Reinforcement Learning

Effective decision-making in partially observable environments demands robust memory management. Despite their success in supervised learning, current deep-learning memory models struggle in reinforcement learning environments that are partially observable and long-term. They fail to efficiently capture relevant past information, adapt flexibly to changing observations, and maintain stable updates over long episodes. We theoretically analyze the limitations of existing memory models within a unified framework and introduce the Stable Hadamard Memory, a novel memory model for reinforcement learning agents. Our model dynamically adjusts memory by erasing no longer needed experiences and reinforcing crucial ones computationally efficiently. To this end, we leverage the Hadamard product for calibrating and updating memory, specifically designed to enhance memory capacity while mitigating numerical and learning challenges. Our approach significantly outperforms state-of-the-art memory-based methods on challenging partially observable benchmarks, such as meta-reinforcement learning, long-horizon credit assignment, and POPGym, demonstrating superior performance in handling long-term and evolving contexts.

cs.LG↗

arXiv2024

Robust Transfer Learning for Active Level Set Estimation with Locally Adaptive Gaussian Process Prior

The objective of active level set estimation for a black-box function is to precisely identify regions where the function values exceed or fall below a specified threshold by iteratively performing function evaluations to gather more information about the function. This becomes particularly important when function evaluations are costly, drastically limiting our ability to acquire large datasets. A promising way to sample-efficiently model the black-box function is by incorporating prior knowledge from a related function. However, this approach risks slowing down the estimation task if the prior knowledge is irrelevant or misleading. In this paper, we present a novel transfer learning method for active level set estimation that safely integrates a given prior knowledge while constantly adjusting it to guarantee a robust performance of a level set estimation algorithm even when the prior knowledge is irrelevant. We theoretically analyze this algorithm to show that it has a better level set convergence compared to standard transfer learning approaches that do not make any adjustment to the prior. Additionally, extensive experiments across multiple datasets confirm the effectiveness of our method when applied to various different level set estimation algorithms as well as different transfer learning scenarios.

cs.LG↗

arXiv2024

Embedding material graphs using the electron-ion potential: application to material fracture

At the heart of the flourishing field of machine learning potentials are graph neural networks, where deep learning is interwoven with physics-informed machine learning (PIML) architectures. Various PIML models, upon training with density functional theory (DFT) material structure-property datasets, have achieved unprecedented prediction accuracy for a range of molecular and material properties. A critical component in the learned graph representation of crystal structures in PIMLs is how the various fragments of the structure's graph are embedded in a neural network. Several of the state-of-art PIML models apply spherical harmonic functions. Such functions are based on the assumption that DFT computes the Coulomb potential of atom-atom interactions. However, DFT does not directly compute such potentials, but integrates the electron-atom potentials. We introduce the direct integration of the external potential (DIEP) methods which more faithfully reflects that actual computational workflow in DFT. DIEP integrates the external (electron-atom) potential and uses these quantities to embed the structure graph into a deep learning model. We demonstrate the enhanced accuracy of the DIEP model in predicting the energies of pristine and defective materials. By training DIEP to predict the potential energy surface, we show the ability of the model in predicting the onset of fracture of pristine and defective carbon nanotubes.

cond-mat.mtrl-sci↗

arXiv2024

Novel Kernel Models and Exact Representor Theory for Neural Networks Beyond the Over-Parameterized Regime

This paper presents two models of neural-networks and their training applicable to neural networks of arbitrary width, depth and topology, assuming only finite-energy neural activations; and a novel representor theory for neural networks in terms of a matrix-valued kernel. The first model is exact (un-approximated) and global, casting the neural network as an elements in a reproducing kernel Banach space (RKBS); we use this model to provide tight bounds on Rademacher complexity. The second model is exact and local, casting the change in neural network function resulting from a bounded change in weights and biases (ie. a training step) in reproducing kernel Hilbert space (RKHS) in terms of a local-intrinsic neural kernel (LiNK). This local model provides insight into model adaptation through tight bounds on Rademacher complexity of network adaptation. We also prove that the neural tangent kernel (NTK) is a first-order approximation of the LiNK kernel. Finally, and noting that the LiNK does not provide a representor theory for technical reasons, we present an exact novel representor theory for layer-wise neural network training with unregularized gradient descent in terms of a local-extrinsic neural kernel (LeNK). This representor theory gives insight into the role of higher-order statistics in neural network training and the effect of kernel evolution in neural-network kernel models. Throughout the paper (a) feedforward ReLU networks and (b) residual networks (ResNet) are used as illustrative examples.

stat.ML↗

arXiv2024

Enhanced Bayesian Optimization via Preferential Modeling of Abstract Properties

Experimental (design) optimization is a key driver in designing and discovering new products and processes. Bayesian Optimization (BO) is an effective tool for optimizing expensive and black-box experimental design processes. While Bayesian optimization is a principled data-driven approach to experimental optimization, it learns everything from scratch and could greatly benefit from the expertise of its human (domain) experts who often reason about systems at different abstraction levels using physical properties that are not necessarily directly measured (or measurable). In this paper, we propose a human-AI collaborative Bayesian framework to incorporate expert preferences about unmeasured abstract properties into the surrogate modeling to further boost the performance of BO. We provide an efficient strategy that can also handle any incorrect/misleading expert bias in preferential judgments. We discuss the convergence behavior of our proposed framework. Our experimental results involving synthetic functions and real-world datasets show the superiority of our method against the baselines.

cs.LG↗