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We introduce the Granite Guardian models, a suite of safeguards designed to provide risk detection for prompts and responses, enabling safe and responsible use in combination with any large language model (LLM). These models offer comprehensive coverage across multiple risk dimensions, including social bias, profanity, violence, sexual content, unethical behavior, jailbreaking, and hallucination-related risks such as context relevance, groundedness, and answer relevance for retrieval-augmented generation (RAG). Trained on a unique dataset combining human annotations from diverse sources and synthetic data, Granite Guardian models address risks typically overlooked by traditional risk detection models, such as jailbreaks and RAG-specific issues. With AUC scores of 0.871 and 0.854 on harmful content and RAG-hallucination-related benchmarks respectively, Granite Guardian is the most generalizable and competitive model available in the space. Released as open-source, Granite Guardian aims to promote responsible AI development across the community. https://github.com/ibm-granite/granite-guardian

Recent advancements in Large Language Models (LLMs) have significantly improved text generation capabilities, but these systems are still known to hallucinate, and granular uncertainty estimation for long-form LLM generations remains challenging. In this work, we propose Graph Uncertainty -- which represents the relationship between LLM generations and claims within them as a bipartite graph and estimates the claim-level uncertainty with a family of graph centrality metrics. Under this view, existing uncertainty estimation methods based on the concept of self-consistency can be viewed as using degree centrality as an uncertainty measure, and we show that more sophisticated alternatives such as closeness centrality provide consistent gains at claim-level uncertainty estimation. Moreover, we present uncertainty-aware decoding techniques that leverage both the graph structure and uncertainty estimates to improve the factuality of LLM generations by preserving only the most reliable claims. Compared to existing methods, our graph-based uncertainty metrics lead to an average of 6.8% relative gains on AUPRC across various long-form generation settings, and our end-to-end system provides consistent 2-4% gains in factuality over existing decoding techniques while significantly improving the informativeness of generated responses., Comment: Accepted as a Spotlight paper at NeurIPS 2024

As generative AI, particularly large language models (LLMs), become increasingly integrated into production applications, new attack surfaces and vulnerabilities emerge and put a focus on adversarial threats in natural language and multi-modal systems. Red-teaming has gained importance in proactively identifying weaknesses in these systems, while blue-teaming works to protect against such adversarial attacks. Despite growing academic interest in adversarial risks for generative AI, there is limited guidance tailored for practitioners to assess and mitigate these challenges in real-world environments. To address this, our contributions include: (1) a practical examination of red- and blue-teaming strategies for securing generative AI, (2) identification of key challenges and open questions in defense development and evaluation, and (3) the Attack Atlas, an intuitive framework that brings a practical approach to analyzing single-turn input attacks, placing it at the forefront for practitioners. This work aims to bridge the gap between academic insights and practical security measures for the protection of generative AI systems.

Aligning large language models (LLMs) to value systems has emerged as a significant area of research within the fields of AI and NLP. Currently, this alignment process relies on the availability of high-quality supervised and preference data, which can be both time-consuming and expensive to curate or annotate. In this paper, we introduce a systematic end-to-end methodology for aligning LLMs to the implicit and explicit values represented in unstructured text data. Our proposed approach leverages the use of scalable synthetic data generation techniques to effectively align the model to the values present in the unstructured data. Through two distinct use-cases, we demonstrate the efficiency of our methodology on the Mistral-7B-Instruct model. Our approach credibly aligns LLMs to the values embedded within documents, and shows improved performance against other approaches, as quantified through the use of automatic metrics and win rates.

Large language models (LLMs) have convincing performance in a variety of downstream tasks. However, these systems are prone to generating undesirable outputs such as harmful and biased text. In order to remedy such generations, the development of guardrail (or detector) models has gained traction. Motivated by findings from developing a detector for social bias, we adopt the notion of a use-mention distinction - which we identified as the primary source of under-performance in the preliminary versions of our social bias detector. Armed with this information, we describe a fully extensible and reproducible synthetic data generation pipeline which leverages taxonomy-driven instructions to create targeted and labeled data. Using this pipeline, we generate over 300K unique contrastive samples and provide extensive experiments to systematically evaluate performance on a suite of open source datasets. We show that our method achieves competitive performance with a fraction of the cost in compute and offers insight into iteratively developing efficient and capable guardrail models. Warning: This paper contains examples of text which are toxic, biased, and potentially harmful.

Retrieval-augmented generation (RAG) has emerged as a promising solution to mitigate the limitations of large language models (LLMs), such as hallucinations and outdated information. However, it remains unclear how LLMs handle knowledge conflicts arising from different augmented retrieved passages, especially when these passages originate from the same source and have equal trustworthiness. In this work, we conduct a comprehensive evaluation of LLM-generated answers to questions that have varying answers based on contradictory passages from Wikipedia, a dataset widely regarded as a high-quality pre-training resource for most LLMs. Specifically, we introduce WikiContradict, a benchmark consisting of 253 high-quality, human-annotated instances designed to assess LLM performance when augmented with retrieved passages containing real-world knowledge conflicts. We benchmark a diverse range of both closed and open-source LLMs under different QA scenarios, including RAG with a single passage, and RAG with 2 contradictory passages. Through rigorous human evaluations on a subset of WikiContradict instances involving 5 LLMs and over 3,500 judgements, we shed light on the behaviour and limitations of these models. For instance, when provided with two passages containing contradictory facts, all models struggle to generate answers that accurately reflect the conflicting nature of the context, especially for implicit conflicts requiring reasoning. Since human evaluation is costly, we also introduce an automated model that estimates LLM performance using a strong open-source language model, achieving an F-score of 0.8. Using this automated metric, we evaluate more than 1,500 answers from seven LLMs across all WikiContradict instances. To facilitate future work, we release WikiContradict on: https://ibm.biz/wikicontradict.

Causal interactions among a group of variables are often modeled by a single causal graph. In some domains, however, these interactions are best described by multiple co-existing causal graphs, e.g., in dynamical systems or genomics. This paper addresses the hitherto unknown role of interventions in learning causal interactions among variables governed by a mixture of causal systems, each modeled by one directed acyclic graph (DAG). Causal discovery from mixtures is fundamentally more challenging than single-DAG causal discovery. Two major difficulties stem from (i)~an inherent uncertainty about the skeletons of the component DAGs that constitute the mixture and (ii)~possibly cyclic relationships across these component DAGs. This paper addresses these challenges and aims to identify edges that exist in at least one component DAG of the mixture, referred to as the true edges. First, it establishes matching necessary and sufficient conditions on the size of interventions required to identify the true edges. Next, guided by the necessity results, an adaptive algorithm is designed that learns all true edges using $O(n^2)$ interventions, where $n$ is the number of nodes. Remarkably, the size of the interventions is optimal if the underlying mixture model does not contain cycles across its components. More generally, the gap between the intervention size used by the algorithm and the optimal size is quantified. It is shown to be bounded by the cyclic complexity number of the mixture model, defined as the size of the minimal intervention that can break the cycles in the mixture, which is upper bounded by the number of cycles among the ancestors of a node., Comment: NeurIPS 2024 camera-ready version

Estimating uncertainty or confidence in the responses of a model can be significant in evaluating trust not only in the responses, but also in the model as a whole. In this paper, we explore the problem of estimating confidence for responses of large language models (LLMs) with simply black-box or query access to them. We propose a simple and extensible framework where, we engineer novel features and train a (interpretable) model (viz. logistic regression) on these features to estimate the confidence. We empirically demonstrate that our simple framework is effective in estimating confidence of Flan-ul2, Llama-13b and Mistral-7b on four benchmark Q\&A tasks as well as of Pegasus-large and BART-large on two benchmark summarization tasks with it surpassing baselines by even over $10\%$ (on AUROC) in some cases. Additionally, our interpretable approach provides insight into features that are predictive of confidence, leading to the interesting and useful discovery that our confidence models built for one LLM generalize zero-shot across others on a given dataset.

While humans increasingly rely on large language models (LLMs), they are susceptible to generating inaccurate or false information, also known as "hallucinations". Technical advancements have been made in algorithms that detect hallucinated content by assessing the factuality of the model's responses and attributing sections of those responses to specific source documents. However, there is limited research on how to effectively communicate this information to users in ways that will help them appropriately calibrate their trust toward LLMs. To address this issue, we conducted a scenario-based study (N=104) to systematically compare the impact of various design strategies for communicating factuality and source attribution on participants' ratings of trust, preferences, and ease in validating response accuracy. Our findings reveal that participants preferred a design in which phrases within a response were color-coded based on the computed factuality scores. Additionally, participants increased their trust ratings when relevant sections of the source material were highlighted or responses were annotated with reference numbers corresponding to those sources, compared to when they received no annotation in the source material. Our study offers practical design guidelines to facilitate human-LLM collaboration and it promotes a new human role to carefully evaluate and take responsibility for their use of LLM outputs., Comment: Submitted to the Trust and Reliance in Evolving Human-AI Workflows (TREW) Workshop at CHI 2024

Evaluation of large language models for code has primarily relied on static benchmarks, including HumanEval (Chen et al., 2021), or more recently using human preferences of LLM responses. As LLMs are increasingly used as programmer assistants, we study whether gains on existing benchmarks or more preferred LLM responses translate to programmer productivity when coding with LLMs, including time spent coding. We introduce RealHumanEval, a web interface to measure the ability of LLMs to assist programmers, through either autocomplete or chat support. We conducted a user study (N=243) using RealHumanEval in which users interacted with seven LLMs of varying base model performance. Despite static benchmarks not incorporating humans-in-the-loop, we find that improvements in benchmark performance lead to increased programmer productivity; however gaps in benchmark versus human performance are not proportional -- a trend that holds across both forms of LLM support. In contrast, we find that programmer preferences do not correlate with their actual performance, motivating the need for better proxy signals. We open-source RealHumanEval to enable human-centric evaluation of new models and the study data to facilitate efforts to improve code models.

Modern language models, while sophisticated, exhibit some inherent shortcomings, particularly in conversational settings. We claim that many of the observed shortcomings can be attributed to violation of one or more conversational principles. By drawing upon extensive research from both the social science and AI communities, we propose a set of maxims -- quantity, quality, relevance, manner, benevolence, and transparency -- for describing effective human-AI conversation. We first justify the applicability of the first four maxims (from Grice) in the context of human-AI interactions. We then argue that two new maxims, benevolence (concerning the generation of, and engagement with, harmful content) and transparency (concerning recognition of one's knowledge boundaries, operational constraints, and intents), are necessary for addressing behavior unique to modern human-AI interactions. We evaluate the degree to which various language models are able to understand these maxims and find that models possess an internal prioritization of principles that can significantly impact their ability to interpret the maxims accurately.

Perturbation-based explanation methods such as LIME and SHAP are commonly applied to text classification. This work focuses on their extension to generative language models. To address the challenges of text as output and long text inputs, we propose a general framework called MExGen that can be instantiated with different attribution algorithms. To handle text output, we introduce the notion of scalarizers for mapping text to real numbers and investigate multiple possibilities. To handle long inputs, we take a multi-level approach, proceeding from coarser levels of granularity to finer ones, and focus on algorithms with linear scaling in model queries. We conduct a systematic evaluation, both automated and human, of perturbation-based attribution methods for summarization and context-grounded question answering. The results show that our framework can provide more locally faithful explanations of generated outputs.

Developing value-aligned AI agents is a complex undertaking and an ongoing challenge in the field of AI. Specifically within the domain of Large Language Models (LLMs), the capability to consolidate multiple independently trained dialogue agents, each aligned with a distinct moral value, into a unified system that can adapt to and be aligned with multiple moral values is of paramount importance. In this paper, we propose a system that does contextual moral value alignment based on contextual aggregation. Here, aggregation is defined as the process of integrating a subset of LLM responses that are best suited to respond to a user input, taking into account features extracted from the user's input. The proposed system shows better results in term of alignment to human value compared to the state of the art.

Large language models (LLMs) are susceptible to a variety of risks, from non-faithful output to biased and toxic generations. Due to several limiting factors surrounding LLMs (training cost, API access, data availability, etc.), it may not always be feasible to impose direct safety constraints on a deployed model. Therefore, an efficient and reliable alternative is required. To this end, we present our ongoing efforts to create and deploy a library of detectors: compact and easy-to-build classification models that provide labels for various harms. In addition to the detectors themselves, we discuss a wide range of uses for these detector models - from acting as guardrails to enabling effective AI governance. We also deep dive into inherent challenges in their development and discuss future work aimed at making the detectors more reliable and broadening their scope.

The alignment of large language models is usually done by model providers to add or control behaviors that are common or universally understood across use cases and contexts. In contrast, in this article, we present an approach and architecture that empowers application developers to tune a model to their particular values, social norms, laws and other regulations, and orchestrate between potentially conflicting requirements in context. We lay out three main components of such an Alignment Studio architecture: Framers, Instructors, and Auditors that work in concert to control the behavior of a language model. We illustrate this approach with a running example of aligning a company's internal-facing enterprise chatbot to its business conduct guidelines., Comment: 7 pages, 5 figures

This paper considers causal bandits (CBs) for the sequential design of interventions in a causal system. The objective is to optimize a reward function via minimizing a measure of cumulative regret with respect to the best sequence of interventions in hindsight. The paper advances the results on CBs in three directions. First, the structural causal models (SCMs) are assumed to be unknown and drawn arbitrarily from a general class $\mathcal{F}$ of Lipschitz-continuous functions. Existing results are often focused on (generalized) linear SCMs. Second, the interventions are assumed to be generalized soft with any desired level of granularity, resulting in an infinite number of possible interventions. The existing literature, in contrast, generally adopts atomic and hard interventions. Third, we provide general upper and lower bounds on regret. The upper bounds subsume (and improve) known bounds for special cases. The lower bounds are generally hitherto unknown. These bounds are characterized as functions of the (i) graph parameters, (ii) eluder dimension of the space of SCMs, denoted by $\operatorname{dim}(\mathcal{F})$, and (iii) the covering number of the function space, denoted by ${\rm cn}(\mathcal{F})$. Specifically, the cumulative achievable regret over horizon $T$ is $\mathcal{O}(K d^{L-1}\sqrt{T\operatorname{dim}(\mathcal{F}) \log({\rm cn}(\mathcal{F}))})$, where $K$ is related to the Lipschitz constants, $d$ is the graph's maximum in-degree, and $L$ is the length of the longest causal path. The upper bound is further refined for special classes of SCMs (neural network, polynomial, and linear), and their corresponding lower bounds are provided., Comment: 37 pages, 13 figures, conference

We consider the issue of calibration in large language models (LLM). Recent studies have found that common interventions such as instruction tuning often result in poorly calibrated LLMs. Although calibration is well-explored in traditional applications, calibrating LLMs is uniquely challenging. These challenges stem as much from the severe computational requirements of LLMs as from their versatility, which allows them to be applied to diverse tasks. Addressing these challenges, we propose THERMOMETER, a calibration approach tailored to LLMs. THERMOMETER learns an auxiliary model, given data from multiple tasks, for calibrating a LLM. It is computationally efficient, preserves the accuracy of the LLM, and produces better-calibrated responses for new tasks. Extensive empirical evaluations across various benchmarks demonstrate the effectiveness of the proposed method., Comment: Camera ready version for ICML 2024

This paper questions the effectiveness of a modern predictive uncertainty quantification approach, called \emph{evidential deep learning} (EDL), in which a single neural network model is trained to learn a meta distribution over the predictive distribution by minimizing a specific objective function. Despite their perceived strong empirical performance on downstream tasks, a line of recent studies by Bengs et al. identify limitations of the existing methods to conclude their learned epistemic uncertainties are unreliable, e.g., in that they are non-vanishing even with infinite data. Building on and sharpening such analysis, we 1) provide a sharper understanding of the asymptotic behavior of a wide class of EDL methods by unifying various objective functions; 2) reveal that the EDL methods can be better interpreted as an out-of-distribution detection algorithm based on energy-based-models; and 3) conduct extensive ablation studies to better assess their empirical effectiveness with real-world datasets. Through all these analyses, we conclude that even when EDL methods are empirically effective on downstream tasks, this occurs despite their poor uncertainty quantification capabilities. Our investigation suggests that incorporating model uncertainty can help EDL methods faithfully quantify uncertainties and further improve performance on representative downstream tasks, albeit at the cost of additional computational complexity., Comment: 35 pages, 14 figures. NeurIPS 2024

People are relying on AI agents to assist them with various tasks. The human must know when to rely on the agent, collaborate with the agent, or ignore its suggestions. In this work, we propose to learn rules, grounded in data regions and described in natural language, that illustrate how the human should collaborate with the AI. Our novel region discovery algorithm finds local regions in the data as neighborhoods in an embedding space where prior human behavior should be corrected. Each region is then described using a large language model in an iterative and contrastive procedure. We then teach these rules to the human via an onboarding stage. Through user studies on object detection and question-answering tasks, we show that our method can lead to more accurate human-AI teams. We also evaluate our region discovery and description algorithms separately., Comment: NeurIPS 2023 Spotlight

Accurate quantification of model uncertainty has long been recognized as a fundamental requirement for trusted AI. In regression tasks, uncertainty is typically quantified using prediction intervals calibrated to an ad-hoc operating point, making evaluation and comparison across different studies relatively difficult. Our work leverages: (1) the concept of operating characteristics curves and (2) the notion of a gain over a null reference, to derive a novel operating point agnostic assessment methodology for prediction intervals. The paper defines the Uncertainty Characteristics Curve and demonstrates its utility in selected scenarios. We argue that the proposed method addresses the current need for comprehensive assessment of prediction intervals and thus represents a valuable addition to the uncertainty quantification toolbox., Comment: Published at Workshop on Distribution-Free Uncertainty Quantification, International Conference on Machine Learning (ICML), July 2022. arXiv admin note: substantial text overlap with arXiv:2106.00858

Efficient transfer learning algorithms are key to the success of foundation models on diverse downstream tasks even with limited data. Recent works of Basu et al. (2023) and Kaba et al. (2022) propose group averaging (equitune) and optimization-based methods, respectively, over features from group-transformed inputs to obtain equivariant outputs from non-equivariant neural networks. While Kaba et al. (2022) are only concerned with training from scratch, we find that equitune performs poorly on equivariant zero-shot tasks despite good finetuning results. We hypothesize that this is because pretrained models provide better quality features for certain transformations than others and simply averaging them is deleterious. Hence, we propose {\lambda}-equitune that averages the features using importance weights, {\lambda}s. These weights are learned directly from the data using a small neural network, leading to excellent zero-shot and finetuned results that outperform equitune. Further, we prove that {\lambda}-equitune is equivariant and a universal approximator of equivariant functions. Additionally, we show that the method of Kaba et al. (2022) used with appropriate loss functions, which we call equizero, also gives excellent zero-shot and finetuned performance. Both equitune and equizero are special cases of {\lambda}-equitune. To show the simplicity and generality of our method, we validate on a wide range of diverse applications and models such as 1) image classification using CLIP, 2) deep Q-learning, 3) fairness in natural language generation (NLG), 4) compositional generalization in languages, and 5) image classification using pretrained CNNs such as Resnet and Alexnet.

Due to privacy or commercial constraints, large pre-trained language models (PLMs) are often offered as black-box APIs. Fine-tuning such models to downstream tasks is challenging because one can neither access the model's internal representations nor propagate gradients through it. This paper addresses these challenges by developing techniques for adapting PLMs with only API access. Building on recent work on soft prompt tuning, we develop methods to tune the soft prompts without requiring gradient computation. Further, we develop extensions that in addition to not requiring gradients also do not need to access any internal representation of the PLM beyond the input embeddings. Moreover, instead of learning a single prompt, our methods learn a distribution over prompts allowing us to quantify predictive uncertainty. Ours is the first work to consider uncertainty in prompts when only having API access to the PLM. Finally, through extensive experiments, we carefully vet the proposed methods and find them competitive with (and sometimes even improving on) gradient-based approaches with full access to the PLM., Comment: EACL 2023 (Findings)

Learning a fair predictive model is crucial to mitigate biased decisions against minority groups in high-stakes applications. A common approach to learn such a model involves solving an optimization problem that maximizes the predictive power of the model under an appropriate group fairness constraint. However, in practice, sensitive attributes are often missing or noisy resulting in uncertainty. We demonstrate that solely enforcing fairness constraints on uncertain sensitive attributes can fall significantly short in achieving the level of fairness of models trained without uncertainty. To overcome this limitation, we propose a bootstrap-based algorithm that achieves the target level of fairness despite the uncertainty in sensitive attributes. The algorithm is guided by a Gaussian analysis for the independence notion of fairness where we propose a robust quadratically constrained quadratic problem to ensure a strict fairness guarantee with uncertain sensitive attributes. Our algorithm is applicable to both discrete and continuous sensitive attributes and is effective in real-world classification and regression tasks for various group fairness notions, e.g., independence and separation.

Automated AI classifiers should be able to defer the prediction to a human decision maker to ensure more accurate predictions. In this work, we jointly train a classifier with a rejector, which decides on each data point whether the classifier or the human should predict. We show that prior approaches can fail to find a human-AI system with low misclassification error even when there exists a linear classifier and rejector that have zero error (the realizable setting). We prove that obtaining a linear pair with low error is NP-hard even when the problem is realizable. To complement this negative result, we give a mixed-integer-linear-programming (MILP) formulation that can optimally solve the problem in the linear setting. However, the MILP only scales to moderately-sized problems. Therefore, we provide a novel surrogate loss function that is realizable-consistent and performs well empirically. We test our approaches on a comprehensive set of datasets and compare to a wide range of baselines., Comment: AISTATS 2023

It is known that neural networks have the problem of being over-confident when directly using the output label distribution to generate uncertainty measures. Existing methods mainly resolve this issue by retraining the entire model to impose the uncertainty quantification capability so that the learned model can achieve desired performance in accuracy and uncertainty prediction simultaneously. However, training the model from scratch is computationally expensive and may not be feasible in many situations. In this work, we consider a more practical post-hoc uncertainty learning setting, where a well-trained base model is given, and we focus on the uncertainty quantification task at the second stage of training. We propose a novel Bayesian meta-model to augment pre-trained models with better uncertainty quantification abilities, which is effective and computationally efficient. Our proposed method requires no additional training data and is flexible enough to quantify different uncertainties and easily adapt to different application settings, including out-of-domain data detection, misclassification detection, and trustworthy transfer learning. We demonstrate our proposed meta-model approach's flexibility and superior empirical performance on these applications over multiple representative image classification benchmarks., Comment: Accepted by AAAI 2023

In consequential decision-making applications, mitigating unwanted biases in machine learning models that yield systematic disadvantage to members of groups delineated by sensitive attributes such as race and gender is one key intervention to strive for equity. Focusing on demographic parity and equality of opportunity, in this paper we propose an algorithm that improves the fairness of a pre-trained classifier by simply dropping carefully selected training data points. We select instances based on their influence on the fairness metric of interest, computed using an infinitesimal jackknife-based approach. The dropping of training points is done in principle, but in practice does not require the model to be refit. Crucially, we find that such an intervention does not substantially reduce the predictive performance of the model but drastically improves the fairness metric. Through careful experiments, we evaluate the effectiveness of the proposed approach on diverse tasks and find that it consistently improves upon existing alternatives., Comment: Accepted at Neurips 2022

We introduce equi-tuning, a novel fine-tuning method that transforms (potentially non-equivariant) pretrained models into group equivariant models while incurring minimum $L_2$ loss between the feature representations of the pretrained and the equivariant models. Large pretrained models can be equi-tuned for different groups to satisfy the needs of various downstream tasks. Equi-tuned models benefit from both group equivariance as an inductive bias and semantic priors from pretrained models. We provide applications of equi-tuning on three different tasks: image classification, compositional generalization in language, and fairness in natural language generation (NLG). We also provide a novel group-theoretic definition for fairness in NLG. The effectiveness of this definition is shown by testing it against a standard empirical method of fairness in NLG. We provide experimental results for equi-tuning using a variety of pretrained models: Alexnet, Resnet, VGG, and Densenet for image classification; RNNs, GRUs, and LSTMs for compositional generalization; and GPT2 for fairness in NLG. We test these models on benchmark datasets across all considered tasks to show the generality and effectiveness of the proposed method.

This paper studies the problem of designing an optimal sequence of interventions in a causal graphical model to minimize cumulative regret with respect to the best intervention in hindsight. This is, naturally, posed as a causal bandit problem. The focus is on causal bandits for linear structural equation models (SEMs) and soft interventions. It is assumed that the graph's structure is known and has $N$ nodes. Two linear mechanisms, one soft intervention and one observational, are assumed for each node, giving rise to $2^N$ possible interventions. Majority of the existing causal bandit algorithms assume that at least the interventional distributions of the reward node's parents are fully specified. However, there are $2^N$ such distributions (one corresponding to each intervention), acquiring which becomes prohibitive even in moderate-sized graphs. This paper dispenses with the assumption of knowing these distributions or their marginals. Two algorithms are proposed for the frequentist (UCB-based) and Bayesian (Thompson Sampling-based) settings. The key idea of these algorithms is to avoid directly estimating the $2^N$ reward distributions and instead estimate the parameters that fully specify the SEMs (linear in $N$) and use them to compute the rewards. In both algorithms, under boundedness assumptions on noise and the parameter space, the cumulative regrets scale as $\tilde{\cal O} (d^{L+\frac{1}{2}} \sqrt{NT})$, where $d$ is the graph's maximum degree, and $L$ is the length of its longest causal path. Additionally, a minimax lower of $\Omega(d^{\frac{L}{2}-2}\sqrt{T})$ is presented, which suggests that the achievable and lower bounds conform in their scaling behavior with respect to the horizon $T$ and graph parameters $d$ and $L$., Comment: 61 pages; new to this version: added lower bounds and relaxed assumptions

The availability of reliable, high-resolution climate and weather data is important to inform long-term decisions on climate adaptation and mitigation and to guide rapid responses to extreme events. Forecasting models are limited by computational costs and, therefore, often generate coarse-resolution predictions. Statistical downscaling, including super-resolution methods from deep learning, can provide an efficient method of upsampling low-resolution data. However, despite achieving visually compelling results in some cases, such models frequently violate conservation laws when predicting physical variables. In order to conserve physical quantities, here we introduce methods that guarantee statistical constraints are satisfied by a deep learning downscaling model, while also improving their performance according to traditional metrics. We compare different constraining approaches and demonstrate their applicability across different neural architectures as well as a variety of climate and weather data sets. Besides enabling faster and more accurate climate predictions through downscaling, we also show that our novel methodologies can improve super-resolution for satellite data and natural images data sets.

Training generative models that capture rich semantics of the data and interpreting the latent representations encoded by such models are very important problems in un-/self-supervised learning. In this work, we provide a simple algorithm that relies on perturbation experiments on latent codes of a pre-trained generative autoencoder to uncover an attribute graph that is implied by the generative model. We perform perturbation experiments to check for influence of a given latent variable on a subset of attributes. Given this, we show that one can fit an effective graphical model that models a structural equation model between latent codes taken as exogenous variables and attributes taken as observed variables. One interesting aspect is that a single latent variable controls multiple overlapping subsets of attributes unlike conventional approaches that try to impose full independence. Using a pre-trained generative autoencoder trained on a large dataset of small molecules, we demonstrate that the graphical model between various molecular attributes and latent codes learned by our algorithm can be used to predict a specific property for molecules which are drawn from a different distribution. We compare prediction models trained on various feature subsets chosen by simple baselines, as well as existing causal discovery and sparse learning/feature selection methods, with the ones in the derived Markov blanket from our method. Results show empirically that the predictor that relies on our Markov blanket attributes is robust to distribution shifts when transferred or fine-tuned with a few samples from the new distribution, especially when training data is limited., Comment: New experiments; reframed contributions

This paper considers the problem of estimating the unknown intervention targets in a causal directed acyclic graph from observational and interventional data. The focus is on soft interventions in linear structural equation models (SEMs). Current approaches to causal structure learning either work with known intervention targets or use hypothesis testing to discover the unknown intervention targets even for linear SEMs. This severely limits their scalability and sample complexity. This paper proposes a scalable and efficient algorithm that consistently identifies all intervention targets. The pivotal idea is to estimate the intervention sites from the difference between the precision matrices associated with the observational and interventional datasets. It involves repeatedly estimating such sites in different subsets of variables. The proposed algorithm can be used to also update a given observational Markov equivalence class into the interventional Markov equivalence class. Consistency, Markov equivalency, and sample complexity are established analytically. Finally, simulation results on both real and synthetic data demonstrate the gains of the proposed approach for scalable causal structure recovery. Implementation of the algorithm and the code to reproduce the simulation results are available at \url{https://github.com/bvarici/intervention-estimation}., Comment: 23 pages, 4 figures, NeurIPS 2021

Selective regression allows abstention from prediction if the confidence to make an accurate prediction is not sufficient. In general, by allowing a reject option, one expects the performance of a regression model to increase at the cost of reducing coverage (i.e., by predicting on fewer samples). However, as we show, in some cases, the performance of a minority subgroup can decrease while we reduce the coverage, and thus selective regression can magnify disparities between different sensitive subgroups. Motivated by these disparities, we propose new fairness criteria for selective regression requiring the performance of every subgroup to improve with a decrease in coverage. We prove that if a feature representation satisfies the sufficiency criterion or is calibrated for mean and variance, than the proposed fairness criteria is met. Further, we introduce two approaches to mitigate the performance disparity across subgroups: (a) by regularizing an upper bound of conditional mutual information under a Gaussian assumption and (b) by regularizing a contrastive loss for conditional mean and conditional variance prediction. The effectiveness of these approaches is demonstrated on synthetic and real-world datasets.

As artificial intelligence and machine learning algorithms become increasingly prevalent in society, multiple stakeholders are calling for these algorithms to provide explanations. At the same time, these stakeholders, whether they be affected citizens, government regulators, domain experts, or system developers, have different explanation needs. To address these needs, in 2019, we created AI Explainability 360 (Arya et al. 2020), an open source software toolkit featuring ten diverse and state-of-the-art explainability methods and two evaluation metrics. This paper examines the impact of the toolkit with several case studies, statistics, and community feedback. The different ways in which users have experienced AI Explainability 360 have resulted in multiple types of impact and improvements in multiple metrics, highlighted by the adoption of the toolkit by the independent LF AI & Data Foundation. The paper also describes the flexible design of the toolkit, examples of its use, and the significant educational material and documentation available to its users., Comment: arXiv admin note: text overlap with arXiv:1909.03012

In this paper, we describe an open source Python toolkit named Uncertainty Quantification 360 (UQ360) for the uncertainty quantification of AI models. The goal of this toolkit is twofold: first, to provide a broad range of capabilities to streamline as well as foster the common practices of quantifying, evaluating, improving, and communicating uncertainty in the AI application development lifecycle; second, to encourage further exploration of UQ's connections to other pillars of trustworthy AI such as fairness and transparency through the dissemination of latest research and education materials. Beyond the Python package (\url{https://github.com/IBM/UQ360}), we have developed an interactive experience (\url{http://uq360.mybluemix.net}) and guidance materials as educational tools to aid researchers and developers in producing and communicating high-quality uncertainties in an effective manner., Comment: Added references

Accurate quantification of model uncertainty has long been recognized as a fundamental requirement for trusted AI. In regression tasks, uncertainty is typically quantified using prediction intervals calibrated to a specific operating point, making evaluation and comparison across different studies difficult. Our work leverages: (1) the concept of operating characteristics curves and (2) the notion of a gain over a simple reference, to derive a novel operating point agnostic assessment methodology for prediction intervals. The paper describes the corresponding algorithm, provides a theoretical analysis, and demonstrates its utility in multiple scenarios. We argue that the proposed method addresses the current need for comprehensive assessment of prediction intervals and thus represents a valuable addition to the uncertainty quantification toolbox., Comment: 10 pages main paper, 9 pages appendix

Nowadays, there is an abundance of data involving images and surrounding free-form text weakly corresponding to those images. Weakly Supervised phrase-Grounding (WSG) deals with the task of using this data to learn to localize (or to ground) arbitrary text phrases in images without any additional annotations. However, most recent SotA methods for WSG assume the existence of a pre-trained object detector, relying on it to produce the ROIs for localization. In this work, we focus on the task of Detector-Free WSG (DF-WSG) to solve WSG without relying on a pre-trained detector. We directly learn everything from the images and associated free-form text pairs, thus potentially gaining an advantage on the categories unsupported by the detector. The key idea behind our proposed Grounding by Separation (GbS) method is synthesizing `text to image-regions' associations by random alpha-blending of arbitrary image pairs and using the corresponding texts of the pair as conditions to recover the alpha map from the blended image via a segmentation network. At test time, this allows using the query phrase as a condition for a non-blended query image, thus interpreting the test image as a composition of a region corresponding to the phrase and the complement region. Using this approach we demonstrate a significant accuracy improvement, of up to $8.5\%$ over previous DF-WSG SotA, for a range of benchmarks including Flickr30K, Visual Genome, and ReferIt, as well as a significant complementary improvement (above $7\%$) over the detector-based approaches for WSG.

Temporal modelling is the key for efficient video action recognition. While understanding temporal information can improve recognition accuracy for dynamic actions, removing temporal redundancy and reusing past features can significantly save computation leading to efficient action recognition. In this paper, we introduce an adaptive temporal fusion network, called AdaFuse, that dynamically fuses channels from current and past feature maps for strong temporal modelling. Specifically, the necessary information from the historical convolution feature maps is fused with current pruned feature maps with the goal of improving both recognition accuracy and efficiency. In addition, we use a skipping operation to further reduce the computation cost of action recognition. Extensive experiments on Something V1 & V2, Jester and Mini-Kinetics show that our approach can achieve about 40% computation savings with comparable accuracy to state-of-the-art methods. The project page can be found at https://mengyuest.github.io/AdaFuse/, Comment: Accepted to ICLR2021

As machine learning algorithms grow in popularity and diversify to many industries, ethical and legal concerns regarding their fairness have become increasingly relevant. We explore the problem of algorithmic fairness, taking an information-theoretic view. The maximal correlation framework is introduced for expressing fairness constraints and shown to be capable of being used to derive regularizers that enforce independence and separation-based fairness criteria, which admit optimization algorithms for both discrete and continuous variables which are more computationally efficient than existing algorithms. We show that these algorithms provide smooth performance-fairness tradeoff curves and perform competitively with state-of-the-art methods on both discrete datasets (COMPAS, Adult) and continuous datasets (Communities and Crimes)., Comment: 9 Pages 4 Figures

Algorithmic transparency entails exposing system properties to various stakeholders for purposes that include understanding, improving, and contesting predictions. Until now, most research into algorithmic transparency has predominantly focused on explainability. Explainability attempts to provide reasons for a machine learning model's behavior to stakeholders. However, understanding a model's specific behavior alone might not be enough for stakeholders to gauge whether the model is wrong or lacks sufficient knowledge to solve the task at hand. In this paper, we argue for considering a complementary form of transparency by estimating and communicating the uncertainty associated with model predictions. First, we discuss methods for assessing uncertainty. Then, we characterize how uncertainty can be used to mitigate model unfairness, augment decision-making, and build trustworthy systems. Finally, we outline methods for displaying uncertainty to stakeholders and recommend how to collect information required for incorporating uncertainty into existing ML pipelines. This work constitutes an interdisciplinary review drawn from literature spanning machine learning, visualization/HCI, design, decision-making, and fairness. We aim to encourage researchers and practitioners to measure, communicate, and use uncertainty as a form of transparency., Comment: AAAI/ACM Conference on Artificial Intelligence, Ethics, and Society (AIES) 2021

Current autoencoder-based disentangled representation learning methods achieve disentanglement by penalizing the (aggregate) posterior to encourage statistical independence of the latent factors. This approach introduces a trade-off between disentangled representation learning and reconstruction quality since the model does not have enough capacity to learn correlated latent variables that capture detail information present in most image data. To overcome this trade-off, we present a novel multi-stage modeling approach where the disentangled factors are first learned using a penalty-based disentangled representation learning method; then, the low-quality reconstruction is improved with another deep generative model that is trained to model the missing correlated latent variables, adding detail information while maintaining conditioning on the previously learned disentangled factors. Taken together, our multi-stage modelling approach results in a single, coherent probabilistic model that is theoretically justified by the principal of D-separation and can be realized with a variety of model classes including likelihood-based models such as variational autoencoders, implicit models such as generative adversarial networks, and tractable models like normalizing flows or mixtures of Gaussians. We demonstrate that our multi-stage model has higher reconstruction quality than current state-of-the-art methods with equivalent disentanglement performance across multiple standard benchmarks. In addition, we apply the multi-stage model to generate synthetic tabular datasets, showcasing an enhanced performance over benchmark models across a variety of metrics. The interpretability analysis further indicates that the multi-stage model can effectively uncover distinct and meaningful features of variations from which the original distribution can be recovered.

State-of-the-art models for high-resolution image generation, such as BigGAN and VQVAE-2, require an incredible amount of compute resources and/or time (512 TPU-v3 cores) to train, putting them out of reach for the larger research community. On the other hand, GAN-based image super-resolution models, such as ESRGAN, can not only upscale images to high dimensions, but also are efficient to train. In this paper, we present not-so-big-GAN (nsb-GAN), a simple yet cost-effective two-step training framework for deep generative models (DGMs) of high-dimensional natural images. First, we generate images in low-frequency bands by training a sampler in the wavelet domain. Then, we super-resolve these images from the wavelet domain back to the pixel-space with our novel wavelet super-resolution decoder network. Wavelet-based down-sampling method preserves more structural information than pixel-based methods, leading to significantly better generative quality of the low-resolution sampler (e.g., 64x64). Since the sampler and decoder can be trained in parallel and operate on much lower dimensional spaces than end-to-end models, the training cost is substantially reduced. On ImageNet 512x512, our model achieves a Fr\'echet Inception Distance (FID) of 10.59 -- beating the baseline BigGAN model -- at half the compute (256 TPU-v3 cores).

The loss landscapes of deep neural networks are not well understood due to their high nonconvexity. Empirically, the local minima of these loss functions can be connected by a learned curve in model space, along which the loss remains nearly constant; a feature known as mode connectivity. Yet, current curve finding algorithms do not consider the influence of symmetry in the loss surface created by model weight permutations. We propose a more general framework to investigate the effect of symmetry on landscape connectivity by accounting for the weight permutations of the networks being connected. To approximate the optimal permutation, we introduce an inexpensive heuristic referred to as neuron alignment. Neuron alignment promotes similarity between the distribution of intermediate activations of models along the curve. We provide theoretical analysis establishing the benefit of alignment to mode connectivity based on this simple heuristic. We empirically verify that the permutation given by alignment is locally optimal via a proximal alternating minimization scheme. Empirically, optimizing the weight permutation is critical for efficiently learning a simple, planar, low-loss curve between networks that successfully generalizes. Our alignment method can significantly alleviate the recently identified robust loss barrier on the path connecting two adversarial robust models and find more robust and accurate models on the path., Comment: Accepted to NeurIPS 2020, 24 pages, 9 figures, code available at https://github.com/IBM/NeuronAlignment

Action recognition is an open and challenging problem in computer vision. While current state-of-the-art models offer excellent recognition results, their computational expense limits their impact for many real-world applications. In this paper, we propose a novel approach, called AR-Net (Adaptive Resolution Network), that selects on-the-fly the optimal resolution for each frame conditioned on the input for efficient action recognition in long untrimmed videos. Specifically, given a video frame, a policy network is used to decide what input resolution should be used for processing by the action recognition model, with the goal of improving both accuracy and efficiency. We efficiently train the policy network jointly with the recognition model using standard back-propagation. Extensive experiments on several challenging action recognition benchmark datasets well demonstrate the efficacy of our proposed approach over state-of-the-art methods. The project page can be found at https://mengyuest.github.io/AR-Net

Data augmentation is one of the most important tools in training modern deep neural networks. Recently, great advances have been made in searching for optimal augmentation policies in the image classification domain. However, two key points related to data augmentation remain uncovered by the current methods. First is that most if not all modern augmentation search methods are offline and learning policies are isolated from their usage. The learned policies are mostly constant throughout the training process and are not adapted to the current training model state. Second, the policies rely on class-preserving image processing functions. Hence applying current offline methods to new tasks may require domain knowledge to specify such kind of operations. In this work, we offer an orthogonal online data augmentation scheme together with three new augmentation networks, co-trained with the target learning task. It is both more efficient, in the sense that it does not require expensive offline training when entering a new domain, and more adaptive as it adapts to the learner state. Our augmentation networks require less domain knowledge and are easily applicable to new tasks. Extensive experiments demonstrate that the proposed scheme alone performs on par with the state-of-the-art offline data augmentation methods, as well as improving upon the state-of-the-art in combination with those methods. Code is available at https://github.com/zhiqiangdon/online-augment ., Comment: ECCV2020

The use of machine learning (ML) in high-stakes societal decisions has encouraged the consideration of fairness throughout the ML lifecycle. Although data integration is one of the primary steps to generate high quality training data, most of the fairness literature ignores this stage. In this work, we consider fairness in the integration component of data management, aiming to identify features that improve prediction without adding any bias to the dataset. We work under the causal interventional fairness paradigm. Without requiring the underlying structural causal model a priori, we propose an approach to identify a sub-collection of features that ensure the fairness of the dataset by performing conditional independence tests between different subsets of features. We use group testing to improve the complexity of the approach. We theoretically prove the correctness of the proposed algorithm to identify features that ensure interventional fairness and show that sub-linear conditional independence tests are sufficient to identify these variables. A detailed empirical evaluation is performed on real-world datasets to demonstrate the efficacy and efficiency of our technique., Comment: Full version of the paper at SIGMOD 2022

The wide-spread adoption of representation learning technologies in clinical decision making strongly emphasizes the need for characterizing model reliability and enabling rigorous introspection of model behavior. While the former need is often addressed by incorporating uncertainty quantification strategies, the latter challenge is addressed using a broad class of interpretability techniques. In this paper, we argue that these two objectives are not necessarily disparate and propose to utilize prediction calibration to meet both objectives. More specifically, our approach is comprised of a calibration-driven learning method, which is also used to design an interpretability technique based on counterfactual reasoning. Furthermore, we introduce \textit{reliability plots}, a holistic evaluation mechanism for model reliability. Using a lesion classification problem with dermoscopy images, we demonstrate the effectiveness of our approach and infer interesting insights about the model behavior.

Few-shot detection and classification have advanced significantly in recent years. Yet, detection approaches require strong annotation (bounding boxes) both for pre-training and for adaptation to novel classes, and classification approaches rarely provide localization of objects in the scene. In this paper, we introduce StarNet - a few-shot model featuring an end-to-end differentiable non-parametric star-model detection and classification head. Through this head, the backbone is meta-trained using only image-level labels to produce good features for jointly localizing and classifying previously unseen categories of few-shot test tasks using a star-model that geometrically matches between the query and support images (to find corresponding object instances). Being a few-shot detector, StarNet does not require any bounding box annotations, neither during pre-training nor for novel classes adaptation. It can thus be applied to the previously unexplored and challenging task of Weakly Supervised Few-Shot Object Detection (WS-FSOD), where it attains significant improvements over the baselines. In addition, StarNet shows significant gains on few-shot classification benchmarks that are less cropped around the objects (where object localization is key).

The field of Few-Shot Learning (FSL), or learning from very few (typically $1$ or $5$) examples per novel class (unseen during training), has received a lot of attention and significant performance advances in the recent literature. While number of techniques have been proposed for FSL, several factors have emerged as most important for FSL performance, awarding SOTA even to the simplest of techniques. These are: the backbone architecture (bigger is better), type of pre-training on the base classes (meta-training vs regular multi-class, currently regular wins), quantity and diversity of the base classes set (the more the merrier, resulting in richer and better adaptive features), and the use of self-supervised tasks during pre-training (serving as a proxy for increasing the diversity of the base set). In this paper we propose yet another simple technique that is important for the few shot learning performance - a search for a compact feature sub-space that is discriminative for a given few-shot test task. We show that the Task-Adaptive Feature Sub-Space Learning (TAFSSL) can significantly boost the performance in FSL scenarios when some additional unlabeled data accompanies the novel few-shot task, be it either the set of unlabeled queries (transductive FSL) or some additional set of unlabeled data samples (semi-supervised FSL). Specifically, we show that on the challenging miniImageNet and tieredImageNet benchmarks, TAFSSL can improve the current state-of-the-art in both transductive and semi-supervised FSL settings by more than $5\%$, while increasing the benefit of using unlabeled data in FSL to above $10\%$ performance gain.

The hypothesis that sub-network initializations (lottery) exist within the initializations of over-parameterized networks, which when trained in isolation produce highly generalizable models, has led to crucial insights into network initialization and has enabled efficient inferencing. Supervised models with uncalibrated confidences tend to be overconfident even when making wrong prediction. In this paper, for the first time, we study how explicit confidence calibration in the over-parameterized network impacts the quality of the resulting lottery tickets. More specifically, we incorporate a suite of calibration strategies, ranging from mixup regularization, variance-weighted confidence calibration to the newly proposed likelihood-based calibration and normalized bin assignment strategies. Furthermore, we explore different combinations of architectures and datasets, and make a number of key findings about the role of confidence calibration. Our empirical studies reveal that including calibration mechanisms consistently lead to more effective lottery tickets, in terms of accuracy as well as empirical calibration metrics, even when retrained using data with challenging distribution shifts with respect to the source dataset.