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Recent advances in recording technology have allowed neuroscientists to monitor activity from thousands of neurons simultaneously. Latent variable models are increasingly valuable for distilling these recordings into compact and interpretable representations. Here we propose a new approach to neural data analysis that leverages advances in conditional generative modeling to enable the unsupervised inference of disentangled behavioral variables from recorded neural activity. Our approach builds on InfoDiffusion, which augments diffusion models with a set of latent variables that capture important factors of variation in the data. We apply our model, called Generating Neural Observations Conditioned on Codes with High Information (GNOCCHI), to time series neural data and test its application to synthetic and biological recordings of neural activity during reaching. In comparison to a VAE-based sequential autoencoder, GNOCCHI learns higher-quality latent spaces that are more clearly structured and more disentangled with respect to key behavioral variables. These properties enable accurate generation of novel samples (unseen behavioral conditions) through simple linear traversal of the latent spaces produced by GNOCCHI. Our work demonstrates the potential of unsupervised, information-based models for the discovery of interpretable latent spaces from neural data, enabling researchers to generate high-quality samples from unseen conditions., Comment: 16 pages, 5 figures

Stochastic dominance is an important concept in probability theory, econometrics and social choice theory for robustly modeling agents' preferences between random outcomes. While many works have been dedicated to the univariate case, little has been done in the multivariate scenario, wherein an agent has to decide between different multivariate outcomes. By exploiting a characterization of multivariate first stochastic dominance in terms of couplings, we introduce a statistic that assesses multivariate almost stochastic dominance under the framework of Optimal Transport with a smooth cost. Further, we introduce an entropic regularization of this statistic, and establish a central limit theorem (CLT) and consistency of the bootstrap procedure for the empirical statistic. Armed with this CLT, we propose a hypothesis testing framework as well as an efficient implementation using the Sinkhorn algorithm. We showcase our method in comparing and benchmarking Large Language Models that are evaluated on multiple metrics. Our multivariate stochastic dominance test allows us to capture the dependencies between the metrics in order to make an informed and statistically significant decision on the relative performance of the models., Comment: 27 pages, 2 figures

Current LLM alignment techniques use pairwise human preferences at a sample level, and as such, they do not imply an alignment on the distributional level. We propose in this paper Alignment via Optimal Transport (AOT), a novel method for distributional preference alignment of LLMs. AOT aligns LLMs on unpaired preference data by making the reward distribution of the positive samples stochastically dominant in the first order on the distribution of negative samples. We introduce a convex relaxation of this first-order stochastic dominance and cast it as an optimal transport problem with a smooth and convex cost. Thanks to the one-dimensional nature of the resulting optimal transport problem and the convexity of the cost, it has a closed-form solution via sorting on empirical measures. We fine-tune LLMs with this AOT objective, which enables alignment by penalizing the violation of the stochastic dominance of the reward distribution of the positive samples on the reward distribution of the negative samples. We analyze the sample complexity of AOT by considering the dual of the OT problem and show that it converges at the parametric rate. Empirically, we show on a diverse set of alignment datasets and LLMs that AOT leads to state-of-the-art models in the 7B family of models when evaluated with Open LLM Benchmarks and AlpacaEval.

Instance segmentation datasets play a crucial role in training accurate and robust computer vision models. However, obtaining accurate mask annotations to produce high-quality segmentation datasets is a costly and labor-intensive process. In this work, we show how this issue can be mitigated by starting with small annotated instance segmentation datasets and augmenting them to effectively obtain a sizeable annotated dataset. We achieve that by creating variations of the available annotated object instances in a way that preserves the provided mask annotations, thereby resulting in new image-mask pairs to be added to the set of annotated images. Specifically, we generate new images using a diffusion-based inpainting model to fill out the masked area with a desired object class by guiding the diffusion through the object outline. We show that the object outline provides a simple, but also reliable and convenient training-free guidance signal for the underlying inpainting model that is often sufficient to fill out the mask with an object of the correct class without further text guidance and preserve the correspondence between generated images and the mask annotations with high precision. Our experimental results reveal that our method successfully generates realistic variations of object instances, preserving their shape characteristics while introducing diversity within the augmented area. We also show that the proposed method can naturally be combined with text guidance and other image augmentation techniques.

The advent of the Transformer has led to the development of large language models (LLM), which appear to demonstrate human-like capabilities. To assess the generality of this class of models and a variety of other base neural network architectures to multimodal domains, we evaluated and compared their capacity for multimodal generalization. We introduce a multimodal question-answer benchmark to evaluate three specific types of out-of-distribution (OOD) generalization performance: distractor generalization (generalization in the presence of distractors), systematic compositional generalization (generalization to new task permutations), and productive compositional generalization (generalization to more complex tasks structures). We found that across model architectures (e.g., RNNs, Transformers, Perceivers, etc.), models with multiple attention layers, or models that leveraged cross-attention mechanisms between input domains, fared better. Our positive results demonstrate that for multimodal distractor and systematic generalization, either cross-modal attention or models with deeper attention layers are key architectural features required to integrate multimodal inputs. On the other hand, neither of these architectural features led to productive generalization, suggesting fundamental limitations of existing architectures for specific types of multimodal generalization. These results demonstrate the strengths and limitations of specific architectural components underlying modern neural models for multimodal reasoning. Finally, we provide Generic COG (gCOG), a configurable benchmark with several multimodal generalization splits, for future studies to explore., Comment: ICLR 2024

Supervised learning datasets may contain multiple cues that explain the training set equally well, i.e., learning any of them would lead to the correct predictions on the training data. However, many of them can be spurious, i.e., lose their predictive power under a distribution shift and consequently fail to generalize to out-of-distribution (OOD) data. Recently developed "diversification" methods (Lee et al., 2023; Pagliardini et al., 2023) approach this problem by finding multiple diverse hypotheses that rely on different features. This paper aims to study this class of methods and identify the key components contributing to their OOD generalization abilities. We show that (1) diversification methods are highly sensitive to the distribution of the unlabeled data used for diversification and can underperform significantly when away from a method-specific sweet spot. (2) Diversification alone is insufficient for OOD generalization. The choice of the used learning algorithm, e.g., the model's architecture and pretraining, is crucial. In standard experiments (classification on Waterbirds and Office-Home datasets), using the second-best choice leads to an up to 20\% absolute drop in accuracy. (3) The optimal choice of learning algorithm depends on the unlabeled data and vice versa i.e. they are co-dependent. (4) Finally, we show that, in practice, the above pitfalls cannot be alleviated by increasing the number of diverse hypotheses, the major feature of diversification methods. These findings provide a clearer understanding of the critical design factors influencing the OOD generalization abilities of diversification methods. They can guide practitioners in how to use the existing methods best and guide researchers in developing new, better ones., Comment: ICLR 2024

We propose a distributional framework for benchmarking socio-technical risks of foundation models with quantified statistical significance. Our approach hinges on a new statistical relative testing based on first and second order stochastic dominance of real random variables. We show that the second order statistics in this test are linked to mean-risk models commonly used in econometrics and mathematical finance to balance risk and utility when choosing between alternatives. Using this framework, we formally develop a risk-aware approach for foundation model selection given guardrails quantified by specified metrics. Inspired by portfolio optimization and selection theory in mathematical finance, we define a metrics portfolio for each model as a means to aggregate a collection of metrics, and perform model selection based on the stochastic dominance of these portfolios. The statistical significance of our tests is backed theoretically by an asymptotic analysis via central limit theorems instantiated in practice via a bootstrap variance estimate. We use our framework to compare various large language models regarding risks related to drifting from instructions and outputting toxic content., Comment: ICML 2024

Along with the successful deployment of deep neural networks in several application domains, the need to unravel the black-box nature of these networks has seen a significant increase recently. Several methods have been introduced to provide insight into the inference process of deep neural networks. However, most of these explainability methods have been shown to be brittle in the face of adversarial perturbations of their inputs in the image and generic textual domain. In this work we show that this phenomenon extends to specific and important high stakes domains like biomedical datasets. In particular, we observe that the robustness of explanations should be characterized in terms of the accuracy of the explanation in linking a model's inputs and its decisions - faithfulness - and its relevance from the perspective of domain experts - plausibility. This is crucial to prevent explanations that are inaccurate but still look convincing in the context of the domain at hand. To this end, we show how to adapt current attribution robustness estimation methods to a given domain, so as to take into account domain-specific plausibility. This results in our DomainAdaptiveAREstimator (DARE) attribution robustness estimator, allowing us to properly characterize the domain-specific robustness of faithful explanations. Next, we provide two methods, adversarial training and FAR training, to mitigate the brittleness characterized by DARE, allowing us to train networks that display robust attributions. Finally, we empirically validate our methods with extensive experiments on three established biomedical benchmarks., Comment: Accepted at 61st Annual Meeting of the Association for Computational Linguistics (ACL) 2023

Conformal regression provides prediction intervals with global coverage guarantees, but often fails to capture local error distributions, leading to non-homogeneous coverage. We address this with a new adaptive method based on rescaling conformal scores with an estimate of local score distribution, inspired by the Jackknife+ method, which enables the use of calibration data in conformal scores without breaking calibration-test exchangeability. Our approach ensures formal global coverage guarantees and is supported by new theoretical results on local coverage, including an a posteriori bound on any calibration score. The strength of our approach lies in achieving local coverage without sacrificing calibration set size, improving the applicability of conformal prediction intervals in various settings. As a result, our method provides prediction intervals that outperform previous methods, particularly in the low-data regime, making it especially relevant for real-world applications such as healthcare and biomedical domains where uncertainty needs to be quantified accurately despite low sample data., Comment: 24 pages, 7 figures

Real-world data often exhibits bias, imbalance, and privacy risks. Synthetic datasets have emerged to address these issues. This paradigm relies on generative AI models to generate unbiased, privacy-preserving data while maintaining fidelity to the original data. However, assessing the trustworthiness of synthetic datasets and models is a critical challenge. We introduce a holistic auditing framework that comprehensively evaluates synthetic datasets and AI models. It focuses on preventing bias and discrimination, ensures fidelity to the source data, assesses utility, robustness, and privacy preservation. We demonstrate the framework's effectiveness by auditing various generative models across diverse use cases like education, healthcare, banking, and human resources, spanning different data modalities such as tabular, time-series, vision, and natural language. This holistic assessment is essential for compliance with regulatory safeguards. We introduce a trustworthiness index to rank synthetic datasets based on their safeguards trade-offs. Furthermore, we present a trustworthiness-driven model selection and cross-validation process during training, exemplified with "TrustFormers" across various data types. This approach allows for controllable trustworthiness trade-offs in synthetic data creation. Our auditing framework fosters collaboration among stakeholders, including data scientists, governance experts, internal reviewers, external certifiers, and regulators. This transparent reporting should become a standard practice to prevent bias, discrimination, and privacy violations, ensuring compliance with policies and providing accountability, safety, and performance guarantees., Comment: submitted

Explanations are crucial parts of deep neural network (DNN) classifiers. In high stakes applications, faithful and robust explanations are important to understand and gain trust in DNN classifiers. However, recent work has shown that state-of-the-art attribution methods in text classifiers are susceptible to imperceptible adversarial perturbations that alter explanations significantly while maintaining the correct prediction outcome. If undetected, this can critically mislead the users of DNNs. Thus, it is crucial to understand the influence of such adversarial perturbations on the networks' explanations and their perceptibility. In this work, we establish a novel definition of attribution robustness (AR) in text classification, based on Lipschitz continuity. Crucially, it reflects both attribution change induced by adversarial input alterations and perceptibility of such alterations. Moreover, we introduce a wide set of text similarity measures to effectively capture locality between two text samples and imperceptibility of adversarial perturbations in text. We then propose our novel TransformerExplanationAttack (TEA), a strong adversary that provides a tight estimation for attribution robustness in text classification. TEA uses state-of-the-art language models to extract word substitutions that result in fluent, contextual adversarial samples. Finally, with experiments on several text classification architectures, we show that TEA consistently outperforms current state-of-the-art AR estimators, yielding perturbations that alter explanations to a greater extent while being more fluent and less perceptible.

Aging civil infrastructures are closely monitored by engineers for damage and critical defects. As the manual inspection of such large structures is costly and time-consuming, we are working towards fully automating the visual inspections to support the prioritization of maintenance activities. To that end we combine recent advances in drone technology and deep learning. Unfortunately, annotation costs are incredibly high as our proprietary civil engineering dataset must be annotated by highly trained engineers. Active learning is, therefore, a valuable tool to optimize the trade-off between model performance and annotation costs. Our use-case differs from the classical active learning setting as our dataset suffers from heavy class imbalance and consists of a much larger already labeled data pool than other active learning research. We present a novel method capable of operating in this challenging setting by replacing the traditional active learning acquisition function with an auxiliary binary discriminator. We experimentally show that our novel method outperforms the best-performing traditional active learning method (BALD) by 5% and 38% accuracy on CIFAR-10 and our proprietary dataset respectively.

Labeling images for visual segmentation is a time-consuming task which can be costly, particularly in application domains where labels have to be provided by specialized expert annotators, such as civil engineering. In this paper, we propose to use attribution methods to harness the valuable interactions between expert annotators and the data to be annotated in the case of defect segmentation for visual inspection of civil infrastructures. Concretely, a classifier is trained to detect defects and coupled with an attribution-based method and adversarial climbing to generate and refine segmentation masks corresponding to the classification outputs. These are used within an assisted labeling framework where the annotators can interact with them as proposal segmentation masks by deciding to accept, reject or modify them, and interactions are logged as weak labels to further refine the classifier. Applied on a real-world dataset resulting from the automated visual inspection of bridges, our proposed method is able to save more than 50\% of annotators' time when compared to manual annotation of defects.

Humans have a remarkable ability to rapidly generalize to new tasks that is difficult to reproduce in artificial learning systems. Compositionality has been proposed as a key mechanism supporting generalization in humans, but evidence of its neural implementation and impact on behavior is still scarce. Here we study the computational properties associated with compositional generalization in both humans and artificial neural networks (ANNs) on a highly compositional task. First, we identified behavioral signatures of compositional generalization in humans, along with their neural correlates using whole-cortex functional magnetic resonance imaging (fMRI) data. Next, we designed pretraining paradigms aided by a procedure we term {\em primitives pretraining} to endow compositional task elements into ANNs. We found that ANNs with this prior knowledge had greater correspondence with human behavior and neural compositional signatures. Importantly, primitives pretraining induced abstract internal representations, excellent zero-shot generalization, and sample-efficient learning. Moreover, it gave rise to a hierarchy of abstract representations that matched human fMRI data, where sensory rule abstractions emerged in early sensory areas, and motor rule abstractions emerged in later motor areas. Our findings give empirical support to the role of compositional generalization in human behavior, implicate abstract representations as its neural implementation, and illustrate that these representations can be embedded into ANNs by designing simple and efficient pretraining procedures., Comment: NeurIPS 2022. 24 pages (10 pages main text), 17 figures (8 main text figures)

With the prospect of automating a number of chemical tasks with high fidelity, chemical language processing models are emerging at a rapid speed. Here, we present a cloud-based real-time platform that allows users to virtually screen molecules of interest. For this purpose, molecular embeddings inferred from a recently proposed large chemical language model, named MolFormer, are leveraged. The platform currently supports three tasks: nearest neighbor retrieval, chemical space visualization, and property prediction. Based on the functionalities of this platform and results obtained, we believe that such a platform can play a pivotal role in automating chemistry and chemical engineering research, as well as assist in drug discovery and material design tasks. A demo of our platform is provided at \url{www.ibm.biz/molecular_demo}., Comment: Paper accepted at ECML PKDD 2022 demo track

We elicit incomplete preferences over monetary gambles with subjective uncertainty. Subjects rank gambles, and these rankings are used to estimate preferences; payments are based on estimated preferences. About 40\% of subjects express incompleteness, but they do so infrequently. Incompleteness is similar for individuals with precise and imprecise beliefs, and in an environment with objective uncertainty, suggesting that it results from imprecise tastes more than imprecise beliefs. When we force subjects to choose, we observe more inconsistencies and preference reversals. Evidence suggests there is incompleteness that is indirectly revealed -- in up to 98\% of subjects -- in addition to what we directly measure.

We study a model of moral hazard with heterogeneous beliefs where each of agent's actions gives rise to a pair of probability distributions over output levels, one representing the beliefs of the agent and the other those of the principal. The agent's relative optimism or pessimism dictates whether the contract is high-powered (i.e. with high variability between wage levels) or low-powered. When the agent is sufficiently more optimistic than the principal, the trade-off between risk-sharing and incentive provision may be eliminated. Using Monotone Likelihood Ratio ranking to model disagreement in the parties' beliefs, we show that incentives move in the direction of increasing disagreement. In general, the shape of the wage scheme is sensitive to the differences in beliefs. Thereby, key features of optimal incentive contracts under common beliefs do not readily generalize to the case of belief heterogeneity.

This paper studies the design of mechanisms that are robust to misspecification. We introduce a novel notion of robustness that connects a variety of disparate approaches and study its implications in a wide class of mechanism design problems. This notion is quantifiable, allowing us to formalize and answer comparative statics questions relating the nature and degree of misspecification to sharp predictions regarding features of feasible mechanisms. This notion also has a behavioral foundation which reflects the perception of ambiguity, thus allowing the degree of misspecification to emerge endogenously. In a number of standard settings, robustness to arbitrarily small amounts of misspecification generates a discontinuity in the set of feasible mechanisms and uniquely selects simple, ex post incentive compatible mechanisms such as second-price auctions. Robustness also sheds light on the value of private information and the prevalence of full or virtual surplus extraction.

We provide a sharp identification region for discrete choice models where consumers' preferences are not necessarily complete and only aggregate choice data is available. Behavior is modeled using an upper and a lower utility for each alternative so that non-comparability can arise. The identification region places intuitive bounds on the probability distribution of upper and lower utilities. We show that the existence of an instrumental variable can be used to reject the hypothesis that the preferences of all consumers are complete. We apply our methods to data from the 2018 mid-term elections in Ohio.