arXiv subjects

Amit Dhurandhar

Publications and source records attributed to Amit Dhurandhar.

At least 37 records · Page 2Linked to original sources

arXiv2025

Agentic AI Needs a Systems Theory

The endowment of AI with reasoning capabilities and some degree of agency is widely viewed as a path toward more capable and generalizable systems. Our position is that the current development of agentic AI requires a more holistic, systems-theoretic perspective in order to fully understand their capabilities and mitigate any emergent risks. The primary motivation for our position is that AI development is currently overly focused on individual model capabilities, often ignoring broader emergent behavior, leading to a significant underestimation in the true capabilities and associated risks of agentic AI. We describe some fundamental mechanisms by which advanced capabilities can emerge from (comparably simpler) agents simply due to their interaction with the environment and other agents. Informed by an extensive amount of existing literature from various fields, we outline mechanisms for enhanced agent cognition, emergent causal reasoning ability, and metacognitive awareness. We conclude by presenting some key open challenges and guidance for the development of agentic AI. We emphasize that a systems-level perspective is essential for better understanding, and purposefully shaping, agentic AI systems.

cs.AI↗

arXiv2025

CELL your Model: Contrastive Explanations for Large Language Models

The advent of black-box deep neural network classification models has sparked the need to explain their decisions. However, in the case of generative AI, such as large language models (LLMs), there is no class prediction to explain. Rather, one can ask why an LLM output a particular response to a given prompt. In this paper, we answer this question by proposing a contrastive explanation method requiring simply black-box/query access. Our explanations suggest that an LLM outputs a reply to a given prompt because if the prompt was slightly modified, the LLM would have given a different response that is either less preferable or contradicts the original response. The key insight is that contrastive explanations simply require a scoring function that has meaning to the user and not necessarily a specific real valued quantity (viz. class label). To this end, we offer a novel budgeted algorithm, our main algorithmic contribution, which intelligently creates contrasts based on such a scoring function while adhering to a query budget, necessary for longer contexts. We show the efficacy of our method on important natural language tasks such as open-text generation and chatbot conversations.

cs.CL↗

arXiv2025

Programming Refusal with Conditional Activation Steering

LLMs have shown remarkable capabilities, but precisely controlling their response behavior remains challenging. Existing activation steering methods alter LLM behavior indiscriminately, limiting their practical applicability in settings where selective responses are essential, such as content moderation or domain-specific assistants. In this paper, we propose Conditional Activation Steering (CAST), which analyzes LLM activation patterns during inference to selectively apply or withhold activation steering based on the input context. Our method is based on the observation that different categories of prompts activate distinct patterns in the model's hidden states. Using CAST, one can systematically control LLM behavior with rules like "if input is about hate speech or adult content, then refuse" or "if input is not about legal advice, then refuse." This allows for selective modification of responses to specific content while maintaining normal responses to other content, all without requiring weight optimization. We release an open-source implementation of our framework at github.com/IBM/activation-steering .

cs.LG↗

arXiv2025

Identifying Sub-networks in Neural Networks via Functionally Similar Representations

Providing human-understandable insights into the inner workings of neural networks is an important step toward achieving more explainable and trustworthy AI. Existing approaches to such mechanistic interpretability typically require substantial prior knowledge and manual effort, with strategies tailored to specific tasks. In this work, we take a step toward automating the understanding of the network by investigating the existence of distinct sub-networks. Specifically, we explore a novel automated and task-agnostic approach based on the notion of functionally similar representations within neural networks to identify similar and dissimilar layers, revealing potential sub-networks. We achieve this by proposing, for the first time to our knowledge, the use of Gromov-Wasserstein distance, which overcomes challenges posed by varying distributions and dimensionalities across intermediate representations, issues that complicate direct layer to layer comparisons. On algebraic, language, and vision tasks, we observe the emergence of sub-groups within neural network layers corresponding to functional abstractions. Through downstream applications of model compression and fine-tuning, we show the proposed approach offers meaningful insights into the behavior of neural networks with minimal human and computational cost.

cs.LG↗

arXiv2024

When Stability meets Sufficiency: Informative Explanations that do not Overwhelm

Recent studies evaluating various criteria for explainable artificial intelligence (XAI) suggest that fidelity, stability, and comprehensibility are among the most important metrics considered by users of AI across a diverse collection of usage contexts. We consider these criteria as applied to feature-based attribution methods, which are amongst the most prevalent in XAI literature. Going beyond standard correlation, methods have been proposed that highlight what should be minimally sufficient to justify the classification of an input (viz. pertinent positives). While minimal sufficiency is an attractive property akin to comprehensibility, the resulting explanations are often too sparse for a human to understand and evaluate the local behavior of the model. To overcome these limitations, we incorporate the criteria of stability and fidelity and propose a novel method called Path-Sufficient Explanations Method (PSEM) that outputs a sequence of stable and sufficient explanations for a given input of strictly decreasing size (or value) -- from original input to a minimally sufficient explanation -- which can be thought to trace the local boundary of the model in a stable manner, thus providing better intuition about the local model behavior for the specific input. We validate these claims, both qualitatively and quantitatively, with experiments that show the benefit of PSEM across three modalities (image, tabular and text) as well as versus other path explanations. A user study depicts the strength of the method in communicating the local behavior, where (many) users are able to correctly determine the prediction made by a model.

cs.LG↗

arXiv2024

Ranking Large Language Models without Ground Truth

Evaluation and ranking of large language models (LLMs) has become an important problem with the proliferation of these models and their impact. Evaluation methods either require human responses which are expensive to acquire or use pairs of LLMs to evaluate each other which can be unreliable. In this paper, we provide a novel perspective where, given a dataset of prompts (viz. questions, instructions, etc.) and a set of LLMs, we rank them without access to any ground truth or reference responses. Inspired by real life where both an expert and a knowledgeable person can identify a novice our main idea is to consider triplets of models, where each one of them evaluates the other two, correctly identifying the worst model in the triplet with high probability. We also analyze our idea and provide sufficient conditions for it to succeed. Applying this idea repeatedly, we propose two methods to rank LLMs. In experiments on different generative tasks (summarization, multiple-choice, and dialog), our methods reliably recover close to true rankings without reference data. This points to a viable low-resource mechanism for practical use.

cs.CL↗

arXiv2024

Trust Regions for Explanations via Black-Box Probabilistic Certification

Given the black box nature of machine learning models, a plethora of explainability methods have been developed to decipher the factors behind individual decisions. In this paper, we introduce a novel problem of black box (probabilistic) explanation certification. We ask the question: Given a black box model with only query access, an explanation for an example and a quality metric (viz. fidelity, stability), can we find the largest hypercube (i.e., $\ell_{\infty}$ ball) centered at the example such that when the explanation is applied to all examples within the hypercube, (with high probability) a quality criterion is met (viz. fidelity greater than some value)? Being able to efficiently find such a \emph{trust region} has multiple benefits: i) insight into model behavior in a \emph{region}, with a \emph{guarantee}; ii) ascertained \emph{stability} of the explanation; iii) \emph{explanation reuse}, which can save time, energy and money by not having to find explanations for every example; and iv) a possible \emph{meta-metric} to compare explanation methods. Our contributions include formalizing this problem, proposing solutions, providing theoretical guarantees for these solutions that are computable, and experimentally showing their efficacy on synthetic and real data.

cs.LG↗

arXiv2024

NeuroPrune: A Neuro-inspired Topological Sparse Training Algorithm for Large Language Models

Transformer-based Language Models have become ubiquitous in Natural Language Processing (NLP) due to their impressive performance on various tasks. However, expensive training as well as inference remains a significant impediment to their widespread applicability. While enforcing sparsity at various levels of the model architecture has found promise in addressing scaling and efficiency issues, there remains a disconnect between how sparsity affects network topology. Inspired by brain neuronal networks, we explore sparsity approaches through the lens of network topology. Specifically, we exploit mechanisms seen in biological networks, such as preferential attachment and redundant synapse pruning, and show that principled, model-agnostic sparsity approaches are performant and efficient across diverse NLP tasks, spanning both classification (such as natural language inference) and generation (summarization, machine translation), despite our sole objective not being optimizing performance. NeuroPrune is competitive with (or sometimes superior to) baselines on performance and can be up to $10$x faster in terms of training time for a given level of sparsity, simultaneously exhibiting measurable improvements in inference time in many cases.

cs.LG↗

arXiv2024

Deep Generative Sampling in the Dual Divergence Space: A Data-efficient & Interpretative Approach for Generative AI

Building on the remarkable achievements in generative sampling of natural images, we propose an innovative challenge, potentially overly ambitious, which involves generating samples of entire multivariate time series that resemble images. However, the statistical challenge lies in the small sample size, sometimes consisting of a few hundred subjects. This issue is especially problematic for deep generative models that follow the conventional approach of generating samples from a canonical distribution and then decoding or denoising them to match the true data distribution. In contrast, our method is grounded in information theory and aims to implicitly characterize the distribution of images, particularly the (global and local) dependency structure between pixels. We achieve this by empirically estimating its KL-divergence in the dual form with respect to the respective marginal distribution. This enables us to perform generative sampling directly in the optimized 1-D dual divergence space. Specifically, in the dual space, training samples representing the data distribution are embedded in the form of various clusters between two end points. In theory, any sample embedded between those two end points is in-distribution w.r.t. the data distribution. Our key idea for generating novel samples of images is to interpolate between the clusters via a walk as per gradients of the dual function w.r.t. the data dimensions. In addition to the data efficiency gained from direct sampling, we propose an algorithm that offers a significant reduction in sample complexity for estimating the divergence of the data distribution with respect to the marginal distribution. We provide strong theoretical guarantees along with an extensive empirical evaluation using many real-world datasets from diverse domains, establishing the superiority of our approach w.r.t. state-of-the-art deep learning methods.

cs.LG↗

arXiv2023

Locally Invariant Explanations: Towards Stable and Unidirectional Explanations through Local Invariant Learning

Locally interpretable model agnostic explanations (LIME) method is one of the most popular methods used to explain black-box models at a per example level. Although many variants have been proposed, few provide a simple way to produce high fidelity explanations that are also stable and intuitive. In this work, we provide a novel perspective by proposing a model agnostic local explanation method inspired by the invariant risk minimization (IRM) principle -- originally proposed for (global) out-of-distribution generalization -- to provide such high fidelity explanations that are also stable and unidirectional across nearby examples. Our method is based on a game theoretic formulation where we theoretically show that our approach has a strong tendency to eliminate features where the gradient of the black-box function abruptly changes sign in the locality of the example we want to explain, while in other cases it is more careful and will choose a more conservative (feature) attribution, a behavior which can be highly desirable for recourse. Empirically, we show on tabular, image and text data that the quality of our explanations with neighborhoods formed using random perturbations are much better than LIME and in some cases even comparable to other methods that use realistic neighbors sampled from the data manifold. This is desirable given that learning a manifold to either create realistic neighbors or to project explanations is typically expensive or may even be impossible. Moreover, our algorithm is simple and efficient to train, and can ascertain stable input features for local decisions of a black-box without access to side information such as a (partial) causal graph as has been seen in some recent works.

cs.LG↗

arXiv2023

Spectral Adversarial MixUp for Few-Shot Unsupervised Domain Adaptation

Domain shift is a common problem in clinical applications, where the training images (source domain) and the test images (target domain) are under different distributions. Unsupervised Domain Adaptation (UDA) techniques have been proposed to adapt models trained in the source domain to the target domain. However, those methods require a large number of images from the target domain for model training. In this paper, we propose a novel method for Few-Shot Unsupervised Domain Adaptation (FSUDA), where only a limited number of unlabeled target domain samples are available for training. To accomplish this challenging task, first, a spectral sensitivity map is introduced to characterize the generalization weaknesses of models in the frequency domain. We then developed a Sensitivity-guided Spectral Adversarial MixUp (SAMix) method to generate target-style images to effectively suppresses the model sensitivity, which leads to improved model generalizability in the target domain. We demonstrated the proposed method and rigorously evaluated its performance on multiple tasks using several public datasets.

eess.IV↗

arXiv2023

Reprogramming Pretrained Language Models for Antibody Sequence Infilling

Antibodies comprise the most versatile class of binding molecules, with numerous applications in biomedicine. Computational design of antibodies involves generating novel and diverse sequences, while maintaining structural consistency. Unique to antibodies, designing the complementarity-determining region (CDR), which determines the antigen binding affinity and specificity, creates its own unique challenges. Recent deep learning models have shown impressive results, however the limited number of known antibody sequence/structure pairs frequently leads to degraded performance, particularly lacking diversity in the generated sequences. In our work we address this challenge by leveraging Model Reprogramming (MR), which repurposes pretrained models on a source language to adapt to the tasks that are in a different language and have scarce data - where it may be difficult to train a high-performing model from scratch or effectively fine-tune an existing pre-trained model on the specific task. Specifically, we introduce ReprogBert in which a pretrained English language model is repurposed for protein sequence infilling - thus considers cross-language adaptation using less data. Results on antibody design benchmarks show that our model on low-resourced antibody sequence dataset provides highly diverse CDR sequences, up to more than a two-fold increase of diversity over the baselines, without losing structural integrity and naturalness. The generated sequences also demonstrate enhanced antigen binding specificity and virus neutralization ability. Code is available at https://github.com/IBM/ReprogBERT

q-bio.BM↗

arXiv2022

When Neural Networks Fail to Generalize? A Model Sensitivity Perspective

Domain generalization (DG) aims to train a model to perform well in unseen domains under different distributions. This paper considers a more realistic yet more challenging scenario,namely Single Domain Generalization (Single-DG), where only a single source domain is available for training. To tackle this challenge, we first try to understand when neural networks fail to generalize? We empirically ascertain a property of a model that correlates strongly with its generalization that we coin as "model sensitivity". Based on our analysis, we propose a novel strategy of Spectral Adversarial Data Augmentation (SADA) to generate augmented images targeted at the highly sensitive frequencies. Models trained with these hard-to-learn samples can effectively suppress the sensitivity in the frequency space, which leads to improved generalization performance. Extensive experiments on multiple public datasets demonstrate the superiority of our approach, which surpasses the state-of-the-art single-DG methods.

cs.CV↗

arXiv2022

Local Explanations for Reinforcement Learning

Many works in explainable AI have focused on explaining black-box classification models. Explaining deep reinforcement learning (RL) policies in a manner that could be understood by domain users has received much less attention. In this paper, we propose a novel perspective to understanding RL policies based on identifying important states from automatically learned meta-states. The key conceptual difference between our approach and many previous ones is that we form meta-states based on locality governed by the expert policy dynamics rather than based on similarity of actions, and that we do not assume any particular knowledge of the underlying topology of the state space. Theoretically, we show that our algorithm to find meta-states converges and the objective that selects important states from each meta-state is submodular leading to efficient high quality greedy selection. Experiments on four domains (four rooms, door-key, minipacman, and pong) and a carefully conducted user study illustrate that our perspective leads to better understanding of the policy. We conjecture that this is a result of our meta-states being more intuitive in that the corresponding important states are strong indicators of tractable intermediate goals that are easier for humans to interpret and follow.

cs.LG↗

arXiv2022

Atomist or Holist? A Diagnosis and Vision for More Productive Interdisciplinary AI Ethics Dialogue

In response to growing recognition of the social impact of new AI-based technologies, major AI and ML conferences and journals now encourage or require papers to include ethics impact statements and undergo ethics reviews. This move has sparked heated debate concerning the role of ethics in AI research, at times devolving into name-calling and threats of "cancellation." We diagnose this conflict as one between atomist and holist ideologies. Among other things, atomists believe facts are and should be kept separate from values, while holists believe facts and values are and should be inextricable from one another. With the goal of reducing disciplinary polarization, we draw on numerous philosophical and historical sources to describe each ideology's core beliefs and assumptions. Finally, we call on atomists and holists within the ever-expanding data science community to exhibit greater empathy during ethical disagreements and propose four targeted strategies to ensure AI research benefits society.

cs.CY↗

arXiv2022

Let the CAT out of the bag: Contrastive Attributed explanations for Text

Contrastive explanations for understanding the behavior of black box models has gained a lot of attention recently as they provide potential for recourse. In this paper, we propose a method Contrastive Attributed explanations for Text (CAT) which provides contrastive explanations for natural language text data with a novel twist as we build and exploit attribute classifiers leading to more semantically meaningful explanations. To ensure that our contrastive generated text has the fewest possible edits with respect to the original text, while also being fluent and close to a human generated contrastive, we resort to a minimal perturbation approach regularized using a BERT language model and attribute classifiers trained on available attributes. We show through qualitative examples and a user study that our method not only conveys more insight because of these attributes, but also leads to better quality (contrastive) text. Quantitatively, we show that our method outperforms other state-of-the-art methods across four data sets on four benchmark metrics.

cs.CL↗

arXiv2022

On the Safety of Interpretable Machine Learning: A Maximum Deviation Approach

Interpretable and explainable machine learning has seen a recent surge of interest. We focus on safety as a key motivation behind the surge and make the relationship between interpretability and safety more quantitative. Toward assessing safety, we introduce the concept of maximum deviation via an optimization problem to find the largest deviation of a supervised learning model from a reference model regarded as safe. We then show how interpretability facilitates this safety assessment. For models including decision trees, generalized linear and additive models, the maximum deviation can be computed exactly and efficiently. For tree ensembles, which are not regarded as interpretable, discrete optimization techniques can still provide informative bounds. For a broader class of piecewise Lipschitz functions, we leverage the multi-armed bandit literature to show that interpretability produces tighter (regret) bounds on the maximum deviation. We present case studies, including one on mortgage approval, to illustrate our methods and the insights about models that may be obtained from deviation maximization.

cs.LG↗

arXiv2022

Connecting Algorithmic Research and Usage Contexts: A Perspective of Contextualized Evaluation for Explainable AI

Recent years have seen a surge of interest in the field of explainable AI (XAI), with a plethora of algorithms proposed in the literature. However, a lack of consensus on how to evaluate XAI hinders the advancement of the field. We highlight that XAI is not a monolithic set of technologies -- researchers and practitioners have begun to leverage XAI algorithms to build XAI systems that serve different usage contexts, such as model debugging and decision-support. Algorithmic research of XAI, however, often does not account for these diverse downstream usage contexts, resulting in limited effectiveness or even unintended consequences for actual users, as well as difficulties for practitioners to make technical choices. We argue that one way to close the gap is to develop evaluation methods that account for different user requirements in these usage contexts. Towards this goal, we introduce a perspective of contextualized XAI evaluation by considering the relative importance of XAI evaluation criteria for prototypical usage contexts of XAI. To explore the context dependency of XAI evaluation criteria, we conduct two survey studies, one with XAI topical experts and another with crowd workers. Our results urge for responsible AI research with usage-informed evaluation practices, and provide a nuanced understanding of user requirements for XAI in different usage contexts.

cs.AI↗