Amazon open-sources library for prediction over large output spaces

Framework improves efficiency, accuracy of applications that search for a handful of solutions in a huge space of candidates.

In the Internet age, many computational tasks involve finding a handful of solutions in an enormous space of candidates. Question-answering systems, for instance, can pull answers from anywhere on the web, while the Wikipedia taxonomy for classifying article topic classification has 500,000 terms. And of course, a product query at the Amazon Store has millions of potential matches.

Such extreme multilabel ranking (XMR) problems pose two major challenges. The first is one of scale, but the second is one of scarcity. The items in these large search spaces tend to have long-tailed distributions: most sentences rarely serve as answers to questions; most topics in the Wikipedia taxonomy rarely apply to texts; most products are rarely purchased; and so on. That means that attempts to use machine learning to solve XMR problems rarely have enough data to go on.

At Amazon, we have developed a general framework for meeting both these challenges, which we call PECOS, for prediction for enormous and correlated output spaces. After successfully using PECOS internally for key projects in product search and recommendation, we have publicly released the code to help stimulate further research on this important topic.

In the XMR context, the items retrieved from the search space are known as labels. If the task is document retrieval, the documents themselves are interpreted as candidate labels for a search string; the search string is the input. The “multilabel” in XMR indicates that a given input may have multiple labels; several different topics from the Wikipedia taxonomy, for instance, might apply to the same document.

PECOS decomposes the XMR problem into three stages:

  1. semantic label indexing, or grouping labels together according to semantic content;
  2. matching, or associating the input instance with a label group;
  3. ranking, or finding the labels in each group that best fit the input.
PECOS-framework.png
The three-stage PECOS model.
Credit: Stacy Reilly

PECOS lets users create their own algorithms to implement any of these stages, but the code release comes with a library of standard algorithms for each stage, including both a recursive linear model and a trained deep-learning model for matching.

The three-stage framework helps with both the scaling and long-tail problems. By enabling matching with groups of labels rather than individual labels, label indexing drastically reduces the search space for the matching step. It also helps with the long-tail problem, since it enables the ranking model to exploit semantic similarities between common labels and less common labels.

For machine-learning-based implementations of the ranking stage, label indexing aids in the selection of hard negatives. Machine learning models must be trained on both positive examples and negative examples; in the XMR context, most negative examples are so irrelevant as to impart little information to the model. Selecting negative examples from the same groups as the positive examples ensures that they’ll be challenging enough to improve the quality of the model.

The initial release of PECOS includes two models that implement the entire PECOS framework. One is a recursive linear model, the other a deep-learning model. In tests involving a dataset with 2.8 million labels, the deep-learning model improved the precision of the top-ranked result (precision@1) by 10% relative to the recursive linear model, but it took 265 times as long to train. It’s up to the individual users to evaluate that trade-off for their own use cases.

Semantic label indexing

Semantic label indexing has two components: a representation scheme and a grouping algorithm. For text-based inputs, the representation scheme might take advantage of pre-trained text embeddings such as Word2Vec or ELMo; for graph-based inputs, it might use information about the input’s relationships with its neighbors in the graph. PECOS includes efficient implementations of representation schemes such as positive instance indices (PII), positive instance feature aggregation (PIFA), and the graph spectrum representation.

For grouping, we’ve concentrated on clustering algorithms, but users could implement other approaches, such as approximate nearest-neighbor search. PECOS includes our implementations of the k-means and spherical k-means clustering algorithms, which feature recursive B-ary partitioning. For some value of B (usually between 2 and 16), the algorithm first partitions the label set into B clusters, then partitions each of those into B clusters, and so on.

B-ary partitioning.png
A simple example of our B-ary partitioning scheme.

In a paper about PECOS that we’ve published to the arXiv, we show that B-ary partitioning can significantly reduce the time required for semantic-label indexing, an important consideration given that we’re dealing with enormous label spaces. We also use the B-ary partitioning to implement the recursive linear model.

Built-in models

For text inputs, PECOS includes X-Transformer, which leverages pretrained transformer models from Huggingface to improve performance on extreme multilabel text classification applications. At the 2020 Conference on Knowledge Discovery and Data Mining (KDD), we presented a paper about the PECOS deep-learning model, which we also described in a related blog post on Amazon Science.

PECOS also includes a linear model, XR-Linear, which learns its matching algorithm recursively. First, it learns a B-ary partition of the label space. Then, to implement a matcher for that partition, it learns a new B-ary partition for each of the existing groups. To implement matchers for those, it learns a new B-ary partition for each, and so on, until it reaches the desired recursive depth. At that point, it learns a simple linear one-versus-all ranker for the labels in each partition.

Then, for each level of recursion, it learns a ranker for the outputs of the layer below.

Recursive matcher.png
A diagram of the recursive linear matcher.

This makes training very efficient, as the full set of weights for each recursive layer can fit in memory at once, saving time on inefficient retrieval from storage.

At inference time, XR-Linear works through the same recursion tree to identify relevant labels. For efficiency, we use beam search to restrict the search space. For instance, if the beam width is two, then at each layer of the recursion tree, the model will pursue only the two highest-weight connections to the next layer.

Beam search.gif
An example of linear ranking with a beam width of two. At each level of the tree, two nodes (green) are selected for further exploration. Each of their descendant nodes is evaluated (orange), and two of those are selected for further exploration.
Credit: Giana Bucchino

Our PECOS software has benefited from open research that has been conducted at Amazon and at other universities and companies. By open-sourcing the PECOS software, we are thrilled to contribute back to the open-research community. Our hope is to spur further research on problems where the output spaces are very large. These include zero-shot learning for extreme multilabel problems, extreme contextual bandits, and deep reinforcement learning.

For more information about the optimizations we’ve incorporated into the PECOS code release, please see our arXiv paper. The code itself can be downloaded at GitHub.

Research areas

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The Mission Build AI safety systems that protect millions of Alexa customers every day. As conversational AI evolves, you'll solve challenging problems in Responsible AI by ensuring LLMs provide safe, trustworthy responses, building AI systems that understand nuanced human values across cultures, and maintaining customer trust at scale. What You'll Build You'll pioneer breakthrough solutions in Responsible AI at Amazon's scale. Imagine training models that set new safety standards, designing automated testing systems that hunt for vulnerabilities before they surface, and certifying the systems that power millions of daily conversations. You'll create intelligent evaluation systems that judge responses with human-level insight, build models that truly understand what makes interactions safe and delightful, and craft feedback mechanisms that help Alexa+ grasp the nuances of complex customer conversations. Here's where it gets even more exciting: you'll build AI agents that act as your team's safety net—automatically detecting and fixing production issues in real-time, often before anyone notices there was a problem. Your innovations won't just improve Alexa+; they'll fundamentally shape how it learns, evolves, and earns customer trust. As Alexa+ continues to delight customers, your work ensures it becomes more trustworthy, safer, and deeply aligned with customer needs and expectations. Your work directly protects customer trust at Amazon's scale. Every innovation you create—from novel safety mechanisms to sophisticated evaluation techniques—shapes how millions of people interact with AI confidently. You're not just building products; you're defining industry standards for responsible AI. This is frontier research with immediate real-world impact. You'll tackle problems that require innovative solutions: training models that remain truthful and grounded across diverse contexts, building reward models that capture the nuanced spectrum of human values across cultures and languages, and creating automated systems that continuously discover and address potential issues before customers encounter them. You'll collaborate with world-class scientists, product managers, and engineers to transform state-of-the-art ideas into production systems serving millions. What We're Looking For * Deep expertise in state-of-the-art NLP and Large Language Models * Track record of building scalable ML systems * Passion for impactful research—where frontier science meets real-world responsibility at scale * Excitement about solving problems that will shape the future of AI Ready to work on AI safety challenges that define the industry? Join us. Key job responsibilities This is where you'll make your mark. You'll architect breakthrough Responsible AI solutions that become industry benchmarks, pioneering algorithms that eliminate false information, designing frameworks that hunt down vulnerabilities before bad actors find them, and developing models that understand human values across every culture we serve. Working with world-class engineers and scientists, you'll push the boundaries of model training—transforming bold research into production systems that protect millions of customers daily while withstanding attacks and delivering exceptional experiences. But here's what makes this role truly special: you'll shape the future. You'll lead certification processes, advance optimization techniques, build evaluation systems that reason like humans, and mentor the next generation of AI safety experts. Every innovation you drive will set new standards for trustworthy AI at the world's largest scale. A day in the life As a Responsible AI Scientist, you're at the frontier of AI safety—experimenting with breakthrough techniques that push the boundaries of what's possible. You partner with engineering to transform research into production-ready solutions, tackling complex optimization challenges. You brainstorm with Product teams, translating ambitious visions into concrete objectives that drive real impact. Your expertise shapes critical deployment decisions as you review impactful work and guide go/no-go calls. You mentor the next generation of AI safety leaders, watching ideas spark and capabilities grow. This is where science meets impact—building AI that's not just intelligent, but trustworthy and aligned with human values. About the team Our team pioneers Responsible AI for conversational assistants. We ensure Alexa delivers safe, trustworthy experiences across all devices, modalities, and languages worldwide. We work on frontier AI safety challenges—and we're looking for scientists who want to help shape the future of trustworthy AI.
US, WA, Seattle
Innovators wanted! Are you an entrepreneur? A builder? A dreamer? This role is part of an Amazon Special Projects team that takes the company’s Think Big leadership principle to the limits. If you’re interested in innovating at scale to address big challenges in the world, this is the team for you. As an Applied Scientist on our team, you will focus on building state-of-the-art ML models for biology. Our team rewards curiosity while maintaining a laser-focus in bringing products to market. Competitive candidates are responsive, flexible, and able to succeed within an open, collaborative, entrepreneurial, startup-like environment. At the forefront of both academic and applied research in this product area, you have the opportunity to work together with a diverse and talented team of scientists, engineers, and product managers and collaborate with other teams. Key job responsibilities - Build, adapt and evaluate ML models for life sciences applications - Collaborate with a cross-functional team of ML scientists, biologists, software engineers and product managers