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Feb 27

Learning to Reweight for Graph Neural Network

Graph Neural Networks (GNNs) show promising results for graph tasks. However, existing GNNs' generalization ability will degrade when there exist distribution shifts between testing and training graph data. The cardinal impetus underlying the severe degeneration is that the GNNs are architected predicated upon the I.I.D assumptions. In such a setting, GNNs are inclined to leverage imperceptible statistical correlations subsisting in the training set to predict, albeit it is a spurious correlation. In this paper, we study the problem of the generalization ability of GNNs in Out-Of-Distribution (OOD) settings. To solve this problem, we propose the Learning to Reweight for Generalizable Graph Neural Network (L2R-GNN) to enhance the generalization ability for achieving satisfactory performance on unseen testing graphs that have different distributions with training graphs. We propose a novel nonlinear graph decorrelation method, which can substantially improve the out-of-distribution generalization ability and compares favorably to previous methods in restraining the over-reduced sample size. The variables of the graph representation are clustered based on the stability of the correlation, and the graph decorrelation method learns weights to remove correlations between the variables of different clusters rather than any two variables. Besides, we interpose an efficacious stochastic algorithm upon bi-level optimization for the L2R-GNN framework, which facilitates simultaneously learning the optimal weights and GNN parameters, and avoids the overfitting problem. Experimental results show that L2R-GNN greatly outperforms baselines on various graph prediction benchmarks under distribution shifts.

  • 9 authors
·
Dec 19, 2023

An Analysis of Causal Effect Estimation using Outcome Invariant Data Augmentation

The technique of data augmentation (DA) is often used in machine learning for regularization purposes to better generalize under i.i.d. settings. In this work, we present a unifying framework with topics in causal inference to make a case for the use of DA beyond just the i.i.d. setting, but for generalization across interventions as well. Specifically, we argue that when the outcome generating mechanism is invariant to our choice of DA, then such augmentations can effectively be thought of as interventions on the treatment generating mechanism itself. This can potentially help to reduce bias in causal effect estimation arising from hidden confounders. In the presence of such unobserved confounding we typically make use of instrumental variables (IVs) -- sources of treatment randomization that are conditionally independent of the outcome. However, IVs may not be as readily available as DA for many applications, which is the main motivation behind this work. By appropriately regularizing IV based estimators, we introduce the concept of IV-like (IVL) regression for mitigating confounding bias and improving predictive performance across interventions even when certain IV properties are relaxed. Finally, we cast parameterized DA as an IVL regression problem and show that when used in composition can simulate a worst-case application of such DA, further improving performance on causal estimation and generalization tasks beyond what simple DA may offer. This is shown both theoretically for the population case and via simulation experiments for the finite sample case using a simple linear example. We also present real data experiments to support our case.

  • 5 authors
·
Oct 28, 2025 1

Benchmarking Object Detectors under Real-World Distribution Shifts in Satellite Imagery

Object detectors have achieved remarkable performance in many applications; however, these deep learning models are typically designed under the i.i.d. assumption, meaning they are trained and evaluated on data sampled from the same (source) distribution. In real-world deployment, however, target distributions often differ from source data, leading to substantial performance degradation. Domain Generalisation (DG) seeks to bridge this gap by enabling models to generalise to Out-Of-Distribution (OOD) data without access to target distributions during training, enhancing robustness to unseen conditions. In this work, we examine the generalisability and robustness of state-of-the-art object detectors under real-world distribution shifts, focusing particularly on spatial domain shifts. Despite the need, a standardised benchmark dataset specifically designed for assessing object detection under realistic DG scenarios is currently lacking. To address this, we introduce Real-World Distribution Shifts (RWDS), a suite of three novel DG benchmarking datasets that focus on humanitarian and climate change applications. These datasets enable the investigation of domain shifts across (i) climate zones and (ii) various disasters and geographic regions. To our knowledge, these are the first DG benchmarking datasets tailored for object detection in real-world, high-impact contexts. We aim for these datasets to serve as valuable resources for evaluating the robustness and generalisation of future object detection models. Our datasets and code are available at https://github.com/RWGAI/RWDS.

  • 3 authors
·
Mar 24, 2025

Do Input Gradients Highlight Discriminative Features?

Post-hoc gradient-based interpretability methods [Simonyan et al., 2013, Smilkov et al., 2017] that provide instance-specific explanations of model predictions are often based on assumption (A): magnitude of input gradients -- gradients of logits with respect to input -- noisily highlight discriminative task-relevant features. In this work, we test the validity of assumption (A) using a three-pronged approach. First, we develop an evaluation framework, DiffROAR, to test assumption (A) on four image classification benchmarks. Our results suggest that (i) input gradients of standard models (i.e., trained on original data) may grossly violate (A), whereas (ii) input gradients of adversarially robust models satisfy (A). Second, we introduce BlockMNIST, an MNIST-based semi-real dataset, that by design encodes a priori knowledge of discriminative features. Our analysis on BlockMNIST leverages this information to validate as well as characterize differences between input gradient attributions of standard and robust models. Finally, we theoretically prove that our empirical findings hold on a simplified version of the BlockMNIST dataset. Specifically, we prove that input gradients of standard one-hidden-layer MLPs trained on this dataset do not highlight instance-specific signal coordinates, thus grossly violating assumption (A). Our findings motivate the need to formalize and test common assumptions in interpretability in a falsifiable manner [Leavitt and Morcos, 2020]. We believe that the DiffROAR evaluation framework and BlockMNIST-based datasets can serve as sanity checks to audit instance-specific interpretability methods; code and data available at https://github.com/harshays/inputgradients.

  • 3 authors
·
Feb 25, 2021

Editing Implicit Assumptions in Text-to-Image Diffusion Models

Text-to-image diffusion models often make implicit assumptions about the world when generating images. While some assumptions are useful (e.g., the sky is blue), they can also be outdated, incorrect, or reflective of social biases present in the training data. Thus, there is a need to control these assumptions without requiring explicit user input or costly re-training. In this work, we aim to edit a given implicit assumption in a pre-trained diffusion model. Our Text-to-Image Model Editing method, TIME for short, receives a pair of inputs: a "source" under-specified prompt for which the model makes an implicit assumption (e.g., "a pack of roses"), and a "destination" prompt that describes the same setting, but with a specified desired attribute (e.g., "a pack of blue roses"). TIME then updates the model's cross-attention layers, as these layers assign visual meaning to textual tokens. We edit the projection matrices in these layers such that the source prompt is projected close to the destination prompt. Our method is highly efficient, as it modifies a mere 2.2% of the model's parameters in under one second. To evaluate model editing approaches, we introduce TIMED (TIME Dataset), containing 147 source and destination prompt pairs from various domains. Our experiments (using Stable Diffusion) show that TIME is successful in model editing, generalizes well for related prompts unseen during editing, and imposes minimal effect on unrelated generations.

  • 3 authors
·
Mar 14, 2023 2

Reproducibility in Multiple Instance Learning: A Case For Algorithmic Unit Tests

Multiple Instance Learning (MIL) is a sub-domain of classification problems with positive and negative labels and a "bag" of inputs, where the label is positive if and only if a positive element is contained within the bag, and otherwise is negative. Training in this context requires associating the bag-wide label to instance-level information, and implicitly contains a causal assumption and asymmetry to the task (i.e., you can't swap the labels without changing the semantics). MIL problems occur in healthcare (one malignant cell indicates cancer), cyber security (one malicious executable makes an infected computer), and many other tasks. In this work, we examine five of the most prominent deep-MIL models and find that none of them respects the standard MIL assumption. They are able to learn anti-correlated instances, i.e., defaulting to "positive" labels until seeing a negative counter-example, which should not be possible for a correct MIL model. We suspect that enhancements and other works derived from these models will share the same issue. In any context in which these models are being used, this creates the potential for learning incorrect models, which creates risk of operational failure. We identify and demonstrate this problem via a proposed "algorithmic unit test", where we create synthetic datasets that can be solved by a MIL respecting model, and which clearly reveal learning that violates MIL assumptions. The five evaluated methods each fail one or more of these tests. This provides a model-agnostic way to identify violations of modeling assumptions, which we hope will be useful for future development and evaluation of MIL models.

  • 2 authors
·
Oct 26, 2023

Causal de Finetti: On the Identification of Invariant Causal Structure in Exchangeable Data

Learning causal structure from observational data often assumes that we observe independent and identically distributed (i.\,i.\,d) data. The traditional approach aims to find a graphical representation that encodes the same set of conditional independence relationships as those present in the observed distribution. It is known that under i.\,i.\,d assumption, even with infinite data, there is a limit to how fine-grained a causal structure we can identify. To overcome this limitation, recent work has explored using data originating from different, related environments to learn richer causal structure. These approaches implicitly rely on the independent causal mechanisms (ICM) principle, which postulates that the mechanism giving rise to an effect given its causes and the mechanism which generates the causes do not inform or influence each other. Thus, components of the causal model can independently change from environment to environment. Despite its wide application in machine learning and causal inference, there is a lack of statistical formalization of the ICM principle and how it enables identification of richer causal structures from grouped data. Here we present new causal de Finetti theorems which offer a first statistical formalization of ICM principle and show how causal structure identification is possible from exchangeable data. Our work provides theoretical justification for a broad range of techniques leveraging multi-environment data to learn causal structure.

  • 4 authors
·
Mar 29, 2022

Hype, Sustainability, and the Price of the Bigger-is-Better Paradigm in AI

With the growing attention and investment in recent AI approaches such as large language models, the narrative that the larger the AI system the more valuable, powerful and interesting it is is increasingly seen as common sense. But what is this assumption based on, and how are we measuring value, power, and performance? And what are the collateral consequences of this race to ever-increasing scale? Here, we scrutinize the current scaling trends and trade-offs across multiple axes and refute two common assumptions underlying the 'bigger-is-better' AI paradigm: 1) that improved performance is a product of increased scale, and 2) that all interesting problems addressed by AI require large-scale models. Rather, we argue that this approach is not only fragile scientifically, but comes with undesirable consequences. First, it is not sustainable, as its compute demands increase faster than model performance, leading to unreasonable economic requirements and a disproportionate environmental footprint. Second, it implies focusing on certain problems at the expense of others, leaving aside important applications, e.g. health, education, or the climate. Finally, it exacerbates a concentration of power, which centralizes decision-making in the hands of a few actors while threatening to disempower others in the context of shaping both AI research and its applications throughout society.

  • 3 authors
·
Sep 21, 2024 1

DDXPlus: A New Dataset For Automatic Medical Diagnosis

There has been a rapidly growing interest in Automatic Symptom Detection (ASD) and Automatic Diagnosis (AD) systems in the machine learning research literature, aiming to assist doctors in telemedicine services. These systems are designed to interact with patients, collect evidence about their symptoms and relevant antecedents, and possibly make predictions about the underlying diseases. Doctors would review the interactions, including the evidence and the predictions, collect if necessary additional information from patients, before deciding on next steps. Despite recent progress in this area, an important piece of doctors' interactions with patients is missing in the design of these systems, namely the differential diagnosis. Its absence is largely due to the lack of datasets that include such information for models to train on. In this work, we present a large-scale synthetic dataset of roughly 1.3 million patients that includes a differential diagnosis, along with the ground truth pathology, symptoms and antecedents for each patient. Unlike existing datasets which only contain binary symptoms and antecedents, this dataset also contains categorical and multi-choice symptoms and antecedents useful for efficient data collection. Moreover, some symptoms are organized in a hierarchy, making it possible to design systems able to interact with patients in a logical way. As a proof-of-concept, we extend two existing AD and ASD systems to incorporate the differential diagnosis, and provide empirical evidence that using differentials as training signals is essential for the efficiency of such systems or for helping doctors better understand the reasoning of those systems.

  • 5 authors
·
May 18, 2022

Inductive-bias Learning: Generating Code Models with Large Language Model

Large Language Models(LLMs) have been attracting attention due to a ability called in-context learning(ICL). ICL, without updating the parameters of a LLM, it is possible to achieve highly accurate inference based on rules ``in the context'' by merely inputting a training data into the prompt. Although ICL is a developing field with many unanswered questions, LLMs themselves serves as a inference model, seemingly realizing inference without explicitly indicate ``inductive bias''. On the other hand, a code generation is also a highlighted application of LLMs. The accuracy of code generation has dramatically improved, enabling even non-engineers to generate code to perform the desired tasks by crafting appropriate prompts. In this paper, we propose a novel ``learning'' method called an ``Inductive-Bias Learning (IBL)'', which combines the techniques of ICL and code generation. An idea of IBL is straightforward. Like ICL, IBL inputs a training data into the prompt and outputs a code with a necessary structure for inference (we referred to as ``Code Model'') from a ``contextual understanding''. Despite being a seemingly simple approach, IBL encompasses both a ``property of inference without explicit inductive bias'' inherent in ICL and a ``readability and explainability'' of the code generation. Surprisingly, generated Code Models have been found to achieve predictive accuracy comparable to, and in some cases surpassing, ICL and representative machine learning models. Our IBL code is open source: https://github.com/fuyu-quant/IBLM

  • 3 authors
·
Aug 18, 2023

Superintelligent Agents Pose Catastrophic Risks: Can Scientist AI Offer a Safer Path?

The leading AI companies are increasingly focused on building generalist AI agents -- systems that can autonomously plan, act, and pursue goals across almost all tasks that humans can perform. Despite how useful these systems might be, unchecked AI agency poses significant risks to public safety and security, ranging from misuse by malicious actors to a potentially irreversible loss of human control. We discuss how these risks arise from current AI training methods. Indeed, various scenarios and experiments have demonstrated the possibility of AI agents engaging in deception or pursuing goals that were not specified by human operators and that conflict with human interests, such as self-preservation. Following the precautionary principle, we see a strong need for safer, yet still useful, alternatives to the current agency-driven trajectory. Accordingly, we propose as a core building block for further advances the development of a non-agentic AI system that is trustworthy and safe by design, which we call Scientist AI. This system is designed to explain the world from observations, as opposed to taking actions in it to imitate or please humans. It comprises a world model that generates theories to explain data and a question-answering inference machine. Both components operate with an explicit notion of uncertainty to mitigate the risks of overconfident predictions. In light of these considerations, a Scientist AI could be used to assist human researchers in accelerating scientific progress, including in AI safety. In particular, our system can be employed as a guardrail against AI agents that might be created despite the risks involved. Ultimately, focusing on non-agentic AI may enable the benefits of AI innovation while avoiding the risks associated with the current trajectory. We hope these arguments will motivate researchers, developers, and policymakers to favor this safer path.

  • 13 authors
·
Feb 21, 2025 2

Efficient Model Adaptation for Continual Learning at the Edge

Most machine learning (ML) systems assume stationary and matching data distributions during training and deployment. This is often a false assumption. When ML models are deployed on real devices, data distributions often shift over time due to changes in environmental factors, sensor characteristics, and task-of-interest. While it is possible to have a human-in-the-loop to monitor for distribution shifts and engineer new architectures in response to these shifts, such a setup is not cost-effective. Instead, non-stationary automated ML (AutoML) models are needed. This paper presents the Encoder-Adaptor-Reconfigurator (EAR) framework for efficient continual learning under domain shifts. The EAR framework uses a fixed deep neural network (DNN) feature encoder and trains shallow networks on top of the encoder to handle novel data. The EAR framework is capable of 1) detecting when new data is out-of-distribution (OOD) by combining DNNs with hyperdimensional computing (HDC), 2) identifying low-parameter neural adaptors to adapt the model to the OOD data using zero-shot neural architecture search (ZS-NAS), and 3) minimizing catastrophic forgetting on previous tasks by progressively growing the neural architecture as needed and dynamically routing data through the appropriate adaptors and reconfigurators for handling domain-incremental and class-incremental continual learning. We systematically evaluate our approach on several benchmark datasets for domain adaptation and demonstrate strong performance compared to state-of-the-art algorithms for OOD detection and few-/zero-shot NAS.

  • 8 authors
·
Aug 3, 2023

Truthful AI: Developing and governing AI that does not lie

In many contexts, lying -- the use of verbal falsehoods to deceive -- is harmful. While lying has traditionally been a human affair, AI systems that make sophisticated verbal statements are becoming increasingly prevalent. This raises the question of how we should limit the harm caused by AI "lies" (i.e. falsehoods that are actively selected for). Human truthfulness is governed by social norms and by laws (against defamation, perjury, and fraud). Differences between AI and humans present an opportunity to have more precise standards of truthfulness for AI, and to have these standards rise over time. This could provide significant benefits to public epistemics and the economy, and mitigate risks of worst-case AI futures. Establishing norms or laws of AI truthfulness will require significant work to: (1) identify clear truthfulness standards; (2) create institutions that can judge adherence to those standards; and (3) develop AI systems that are robustly truthful. Our initial proposals for these areas include: (1) a standard of avoiding "negligent falsehoods" (a generalisation of lies that is easier to assess); (2) institutions to evaluate AI systems before and after real-world deployment; and (3) explicitly training AI systems to be truthful via curated datasets and human interaction. A concerning possibility is that evaluation mechanisms for eventual truthfulness standards could be captured by political interests, leading to harmful censorship and propaganda. Avoiding this might take careful attention. And since the scale of AI speech acts might grow dramatically over the coming decades, early truthfulness standards might be particularly important because of the precedents they set.

  • 8 authors
·
Oct 13, 2021

Beyond Technical Debt: How AI-Assisted Development Creates Comprehension Debt in Resource-Constrained Indie Teams

Junior indie game developers in distributed, part-time teams lack production frameworks suited to their specific context, as traditional methodologies are often inaccessible. This study introduces the CIGDI (Co-Intelligence Game Development Ideation) Framework, an alternative approach for integrating AI tools to address persistent challenges of technical debt, coordination, and burnout. The framework emerged from a three-month reflective practice and autoethnographic study of a three-person distributed team developing the 2D narrative game "The Worm's Memoirs". Based on analysis of development data (N=157 Jira tasks, N=333 GitHub commits, N=13+ Miro boards, N=8 reflection sessions), CIGDI is proposed as a seven-stage iterative process structured around human-in-the-loop decision points (Priority Criteria and Timeboxing). While AI support democratized knowledge access and reduced cognitive load, our analysis identified a significant challenge: "comprehension debt." We define this as a novel form of technical debt where AI helps teams build systems more sophisticated than their independent skill level can create or maintain. This paradox (possessing functional systems the team incompletely understands) creates fragility and AI dependency, distinct from traditional code quality debt. This work contributes a practical production framework for resource-constrained teams and identifies critical questions about whether AI assistance constitutes a learning ladder or a dependency trap for developer skill.

  • 1 authors
·
Oct 30, 2025 1

Preserving Statistical Validity in Adaptive Data Analysis

A great deal of effort has been devoted to reducing the risk of spurious scientific discoveries, from the use of sophisticated validation techniques, to deep statistical methods for controlling the false discovery rate in multiple hypothesis testing. However, there is a fundamental disconnect between the theoretical results and the practice of data analysis: the theory of statistical inference assumes a fixed collection of hypotheses to be tested, or learning algorithms to be applied, selected non-adaptively before the data are gathered, whereas in practice data is shared and reused with hypotheses and new analyses being generated on the basis of data exploration and the outcomes of previous analyses. In this work we initiate a principled study of how to guarantee the validity of statistical inference in adaptive data analysis. As an instance of this problem, we propose and investigate the question of estimating the expectations of m adaptively chosen functions on an unknown distribution given n random samples. We show that, surprisingly, there is a way to estimate an exponential in n number of expectations accurately even if the functions are chosen adaptively. This gives an exponential improvement over standard empirical estimators that are limited to a linear number of estimates. Our result follows from a general technique that counter-intuitively involves actively perturbing and coordinating the estimates, using techniques developed for privacy preservation. We give additional applications of this technique to our question.

  • 6 authors
·
Nov 10, 2014