NeurIPS: Why causal-representation learning may be the future of AI

Francesco Locatello on the four NeurIPS papers he coauthored this year, which largely concern generalization to out-of-distribution test data.

In a conversation right before the 2021 Conference on Neural Information Processing Systems (NeurIPS), Amazon vice president and distinguished scientist Bernhard Schölkopf — according to Google Scholar, the most highly cited researcher in the field of causal inference — said that the next frontier in artificial-intelligence research was causal-representation learning.

Where existing approaches to causal inference use machine learning to discover causal relationships between variables — say, the latencies of various interrelated services on a website — causal-representation learning learns the variables themselves. “These kinds of causal representations will also go toward reasoning, which we will ultimately need if we want to move away from this pure pattern recognition view of intelligence,” Schölkopf said.

Francesco.jpg
Senior applied scientist Francesco Locatello.

Francesco Locatello, a senior applied scientist with Amazon Web Services, leads Amazon’s research on causal-representation learning, and he’s a coauthor on four papers at this year’s NeurIPS.

Assaying out-of-distribution generalization in transfer learning” concerns one of the most compelling applications of causal inference in machine learning: generalizing models trained on data with a particular probability distribution to real-world data with a different distribution.

“When you do standard machine learning, you are drawing independent samples from some probability distribution, and then you train a model that's going to generalize to the same distribution,” Locatello explains. “You're describing a physical system using a single probability distribution. Causal models are different because they model every possible state that this physical system can take as a result of an intervention. So instead of having a single probability distribution, you have a set of distributions.

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“What does it mean that your test data comes from a different distribution? You have the same underlying physical system; the causal structure is the same. It's just a new intervention you have not seen. Your test distribution is different than the training, but now it's not an arbitrary distribution. It’s well posed because it's entailed by the causal structure, and it's a meaningful distribution that may happen in the real world.”

In “Assaying out-of-distribution generalization in transfer learning”, Locatello explains, “what we do is to collect a huge variety of datasets that are constructed for or adapted to this scenario where you have a very narrow data set that you can use for transfer learning, and then you have a wide variety of test data that is all out of distribution. We look at the different approaches that have been studied in the literature and compare them on fair ground.”

Although none of the approaches canvassed in the paper explicitly considers causality, Locatello says, “causal approaches should eventually be able to do better on this benchmark, and this will allow us to evaluate our progress. That's why we built it.”

Neural circuits

Today’s neural networks do representation learning as a matter of course: their inputs are usually raw data, and they learn during training which aspects of the data are most useful for the task at hand. As Schölkopf pointed out in conversation last year, causal-representation learning would simply bring causal machine learning models up to speed with conventional models.

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“The important thing to realize is that most machine learning applications don't come structured as a set of well-defined random variables that fully align with the underlying functioning of a physical system,” Locatello explains. “We still want to model these systems in terms of abstract variables, but nobody gives these variables to us. So you may want to learn them in order to be able to perform causal inference.”

Among his and his colleagues’ NeurIPS papers, Locatello says, the one that comes closest to the topic of causal-representation learning is “Neural attentive circuits”. Causal models typically represent causal relationships using graphs, and a neural network, too, can be thought of as an enormous graph. Locatello and his collaborators are trying to make that analogy explicit, by training a neural network to mimic the structure of a causal network.

Neural attentive circuits.png
Visualizations of graph structures learned by neural attentive circuits, from "Neural attentive circuits".

“This is a follow-up on a paper we had last year in NeurIPS,” Locatello says. “The inspiration was to design architectures that behave more similarly to causal models, where you have the noise variables — that's the data — and then you have variables that are being manipulated by functions, and they simply communicate with each other in a graph. And this graph can change dynamically when a distribution changes, for example, because of an intervention.

“In the first paper, we developed an architecture that behaves exactly like that: you have a set of neural functions that can be composed on the fly, depending on the data and the problem. The functions, the routing, and the stitching of the functions are learned. Everything is learned. But it turns out that dynamic stitching is not very scalable.

“In this new work, we essentially compiled the stitching of the functions so that for each sample it's decided beforehand — where it's going to go through the network, how the functions are going to be composed. Instead of doing it on the fly one layer at a time, you decide for the overall forward pass. And we demonstrated that these sparse learned connectivity patterns improve out-of-distribution generalization.”

Success stories

Locatello’s other NeurIPS papers are on more-conventional machine learning topics. “Self supervised amodal video object segmentation” considers the problem of reconstructing the silhouette of an occluded object, which is crucial to robotics applications, including autonomous cars.

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Segmentations of partially occluded objects, from "Self supervised amodal video object segmentation".

“We exploit the principle that you can build information about an object over time in a video,” Locatello explains. “Perhaps in past frames you've seen parts of the objects that are now occluded. If you can remember that you've seen this object before, and this was its segmentation mask, you can build up your segmentation over time.”

The final paper, “Are two heads the same as one? Identifying disparate treatment in fair neural networks”, considers models whose training objectives are explicitly designed to minimize bias across different types of inputs. Locatello and his colleagues find that frequently, such models — purely through training, without any human intervention — develop two “heads”: that is, they learn two different pathways through the neural network, one for inputs in the sensitive class, and one for all other inputs.

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The researchers argue that, since the network is learning two heads, anyway, it might as well be designed with a two-headed architecture: that would improve performance while meeting the same fairness standard. But this approach hasn’t been adopted, as it runs afoul of rules prohibiting disparate treatment of different groups. In this case, however, disparate treatment could be the best way to ensure fair treatment.

These last two papers are only obliquely related to causality. But, Locatello says, “causal-representation learning is a very young field. So we are trying to identify success stories, and I think these papers are going in that direction.”

“It's clear that causality will have a role in future machine learning,” he adds, “because there are a lot of open problems in machine learning that can at least be partially addressed when you start looking at causal models. And my goal really is to realize the benefits of causal models in mainstream machine learning applications. That's why some of these works are not necessarily about causality, but closer to machine learning. Because ultimately, that's our goal.”

Learn more about Amazon at NeurIPS 2022

For more on the Amazon research being presented at this year's NeurIPS, see our quick guide to Amazon's NeurIPS 2022 papers.

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Work on ML teams building large-scale forecasting and optimization systems that power Amazon’s global transportation network and directly impact customer experience and cost. As an Applied Scientist II, you will set scientific direction, mentor applied scientists, and partner with engineering and product leaders to deliver production-grade ML solutions at massive scale. Key job responsibilities 1. Lead and grow a high-performing team of Applied Scientists, providing technical guidance, mentorship, and career development. 2. Define and own the scientific vision and roadmap for ML solutions powering large-scale transportation planning and execution. 3. Guide model and system design across a range of techniques, including tree-based models, deep learning (LSTMs, transformers), LLMs, and reinforcement learning. 4. Ensure models are production-ready, scalable, and robust through close partnership with stakeholders. Partner with Product, Operations, and Engineering leaders to enable proactive decision-making and corrective actions. 5. Own end-to-end business metrics, directly influencing customer experience, cost optimization, and network reliability. 6. Help contribute to the broader ML community through publications, conference submissions, and internal knowledge sharing. A day in the life Your day includes reviewing model performance and business metrics, guiding technical design and experimentation, mentoring scientists, and driving roadmap execution. You’ll balance near-term delivery with long-term innovation while ensuring solutions are robust, interpretable, and scalable. Ultimately, your work helps improve delivery reliability, reduce costs, and enhance the customer experience at massive scale.
US, NY, New York
At Amazon Selection and Catalog Systems (ASCS), our mission is to power the online buying experience for customers worldwide so they can find, discover, and buy any product they want. We innovate on behalf of our customers to infer relationships between products in Amazon Catalog to drive the selection gateway for the search and browse experiences on the website. We're solving a fundamental AI challenge: establishing product identity and relationships at unprecedented scale. Using Generative AI, Visual Language Models (VLMs), and multimodal reasoning, we determine what makes each product unique and how products relate to one another across Amazon's catalog. The scale is staggering: billions of products, petabytes of multimodal data, millions of sellers, dozens of languages, and infinite product diversity—from electronics to groceries to digital content. The research challenges are immense. GenAI and VLMs hold transformative promise for catalog understanding, but we operate where traditional methods fail: ambiguous problem spaces, incomplete and noisy data, inherent uncertainty, reasoning across both images and textual data, and explaining decisions at scale. Establishing product identities and groupings requires sophisticated models that reason across text, images, and structured data—while maintaining accuracy and trust for high-stakes business decisions affecting millions of customers daily. Amazon's Item and Relationship Platform group is looking for an innovative and customer-focused applied scientist to help us make the world's best product catalog even better. In this role, you will partner with technology and business leaders to build new state-of-the-art algorithms, models, and services to infer product-to-product relationships that matter to our customers. You will pioneer advanced GenAI solutions that power next-generation agentic shopping experiences, working in a collaborative environment where you can experiment with massive data from the world's largest product catalog, tackle problems at the frontier of AI research, rapidly implement and deploy your algorithmic ideas at scale, across millions of customers. Key job responsibilities * Formulate novel research problems at the intersection of GenAI, multimodal learning, and large-scale information retrieval—translating ambiguous business challenges into tractable scientific frameworks * Design and implement leading models leveraging VLMs, foundation models, and agentic architectures to solve product identity, relationship inference, and catalog understanding at billion-product scale * Pioneer explainable AI methodologies that balance model performance with scalability requirements for production systems impacting millions of daily customer decisions * Own end-to-end ML pipelines from research ideation to production deployment—processing petabytes of multimodal data with rigorous evaluation frameworks * Define research roadmaps aligned with business priorities, balancing foundational research with incremental product improvements * Mentor peer scientists and engineers on advanced ML techniques, experimental design, and scientific rigor—building organizational capability in GenAI and multimodal AI * Represent the team in the broader science community—publishing findings, delivering tech talks, and staying at the forefront of GenAI, VLM, and agentic system research
US, WA, Seattle
Trusted by more startups around the world, AWS makes the power of cloud computing accessible for all by giving founders everywhere access to the same technology that powers the world's largest companies. With nearly two decades of experience supporting hundreds of thousands of startups, including 80% of unicorns, we democratize cloud computing to help founders bring their innovative ideas to life. We support founders at every stage of their journey, from initial onboarding and credit programs to AI-powered guidance and scale solutions. Data is central to how we do this: it helps us identify high-potential startups early, personalize the guidance we deliver, and prioritize where we can create the most value for founders and for AWS. We are seeking an Applied Science Manager to lead a team of applied scientists and analysts building the data and machine learning capabilities behind AWS Startups. You will own the science roadmap end-to-end, from the data foundation that unifies signals about founders, startups, and their products, through a portfolio of machine learning models, to the surfaces that put insights in the hands of the teams and products that serve startups. You will balance hands-on technical leadership with people management, setting the technical bar for your team while developing their careers. Key job responsibilities · Lead, coach, and grow a team of applied scientists, business intelligence engineers, and business analysts; hire and develop talent and set a high technical bar. · Own and prioritize the team's science roadmap and set technical direction for its machine learning models and data assets, balancing rapid experimentation with production quality, cost, and reliability. · Scope scientific projects, design and evaluate experiments, and productionize models that deliver measurable impact, establishing measurement, evaluation, and operational-excellence standards so quality and impact are quantified and defensible. · Drive the science behind recommendation systems, startup segmentation and targeting, and fraud detection, delivering models that surface relevant opportunities, group and prioritize startups by need and fit, and protect the business from fraud and abuse. · Partner with product, engineering, design, and go-to-market teams to translate science into scalable products, and communicate strategy, results, and trade-offs clearly to technical and non-technical leaders. · Foster a culture of scientific rigor and rapid experimentation, and proactively identify and escalate risks with clear mitigation plans. About the team The AWS Startups team builds innovative products and platforms that support startup customers throughout their journey, from initial onboarding and credit programs to AI-powered guidance and scale solutions. Our portfolio serves hundreds of thousands of startup customers globally, and we partner with business development, field marketing, and solutions architecture teams worldwide. We are building the next generation of AI-native products that make world-class cloud expertise accessible to every founder.