Publications

Input Space Mode Connectivity in Deep Neural Networks
Jakub Vrabel
Ori Shem-Ur
Yaron Oz
David M. Krueger
We extend the concept of loss landscape mode connectivity to the input space of deep neural networks. Initially studied in parameter space, … (see more)mode connectivity describes the existence of low-loss paths between solutions (loss minimizers) found via gradient descent. We present theoretical and empirical evidence of its presence in the input space of deep networks, thereby highlighting the broader nature of the phenomenon. We observe that different input images with similar predictions are generally connected, and for trained models, the path tends to be simple, with only a small deviation from being a linear path. We conjecture that input space mode connectivity in high-dimensional spaces is a geometric phenomenon, present even in untrained models, and can be explained by percolation theory. We exploit mode connectivity to obtain new insights about adversarial examples and show its potential for adversarial detection and interpretability.
InsightBench: Evaluating Business Analytics Agents Through Multi-Step Insight Generation
Amirhossein Abaskohi
Mohammad Chegini
Valentina Zantedeschi
Alexandre Lacoste
Christopher Pal
Issam Hadj Laradji
Data analytics is essential for extracting valuable insights from data that can assist organizations in making effective decisions. We intro… (see more)duce InsightBench, a benchmark dataset with three key features. First, it consists of 100 datasets representing diverse business use cases such as finance and incident management, each accompanied by a carefully curated set of insights planted in the datasets. Second, unlike existing benchmarks focusing on answering single queries, InsightBench evaluates agents based on their ability to perform end-to-end data analytics, including formulating questions, interpreting answers, and generating a summary of insights and actionable steps. Third, we conducted comprehensive quality assurance to ensure that each dataset in the benchmark had clear goals and included relevant and meaningful questions and analysis. Furthermore, we implement a two-way evaluation mechanism using LLaMA-3 as an effective, open-source evaluator to assess agents' ability to extract insights. We also propose AgentPoirot, our baseline data analysis agent capable of performing end-to-end data analytics. Our evaluation on InsightBench shows that AgentPoirot outperforms existing approaches (such as Pandas Agent) that focus on resolving single queries. We also compare the performance of open- and closed-source LLMs and various evaluation strategies. Overall, this benchmark serves as a testbed to motivate further development in comprehensive automated data analytics and can be accessed here: https://github.com/ServiceNow/insight-bench.
Interpreting Emergent Planning in Model-Free Reinforcement Learning
Thomas Bush
Stephen Chung
Usman Anwar
Adrià Garriga-Alonso
David M. Krueger
We present the first mechanistic evidence that model-free reinforcement learning agents can learn to plan. This is achieved by applying a me… (see more)thodology based on concept-based interpretability to a model-free agent in Sokoban -- a commonly used benchmark for studying planning. Specifically, we demonstrate that DRC, a generic model-free agent introduced by [Guez et al. (2019)](https://arxiv.org/abs/1901.03559), uses learned concept representations to internally formulate plans that both predict the long-term effects of actions on the environment and influence action selection. Our methodology involves: (1) probing for planning-relevant concepts, (2) investigating plan formation within the agent's representations, and (3) verifying that discovered plans (in the agent's representations) have a causal effect on the agent's behavior through interventions. We also show that the emergence of these plans coincides with the emergence of a planning-like property: the ability to benefit from additional test-time compute. Finally, we perform a qualitative analysis of the planning algorithm learned by the agent and discover a strong resemblance to parallelized bidirectional search. Our findings advance understanding of the internal mechanisms underlying planning behavior in agents, which is important given the recent trend of emergent planning and reasoning capabilities in LLMs through RL.
Learning Diverse Attacks on Large Language Models for Robust Red-Teaming and Safety Tuning
Red-teaming, or identifying prompts that elicit harmful responses, is a critical step in ensuring the safe and responsible deployment of lar… (see more)ge language models (LLMs). Developing effective protection against many modes of attack prompts requires discovering diverse attacks. Automated red-teaming typically uses reinforcement learning to fine-tune an attacker language model to generate prompts that elicit undesirable responses from a target LLM, as measured, for example, by an auxiliary toxicity classifier. We show that even with explicit regularization to favor novelty and diversity, existing approaches suffer from mode collapse or fail to generate effective attacks. As a flexible and probabilistically principled alternative, we propose to use GFlowNet fine-tuning, followed by a secondary smoothing phase, to train the attacker model to generate diverse and effective attack prompts. We find that the attacks generated by our method are effective against a wide range of target LLMs, both with and without safety tuning, and transfer well between target LLMs. Finally, we demonstrate that models safety-tuned using a dataset of red-teaming prompts generated by our method are robust to attacks from other RL-based red-teaming approaches.
MaestroMotif: Skill Design From Artificial Intelligence Feedback
Describing skills in natural language has the potential to provide an accessible way to inject human knowledge about decision-making into an… (see more) AI system. We present MaestroMotif, a method for AI-assisted skill design, which yields high-performing and adaptable agents. MaestroMotif leverages the capabilities of Large Language Models (LLMs) to effectively create and reuse skills. It first uses an LLM's feedback to automatically design rewards corresponding to each skill, starting from their natural language description. Then, it employs an LLM's code generation abilities, together with reinforcement learning, for training the skills and combining them to implement complex behaviors specified in language. We evaluate MaestroMotif using a suite of complex tasks in the NetHack Learning Environment (NLE), demonstrating that it surpasses existing approaches in both performance and usability.
MAP: Low-Compute Model Merging with Amortized Pareto Fronts via Quadratic Approximation
Zhiqi Bu
Huan He
Yonghui Wu
Jiang Bian
Yong Chen
Model merging has emerged as an effective approach to combine multiple single-task models into a multitask model. This process typically inv… (see more)olves computing a weighted average of the model parameters without any additional training. Existing model-merging methods focus on enhancing average task accuracy. However, interference and conflicts between the objectives of different tasks can lead to trade-offs during the merging process. In real-world applications, a set of solutions with various trade-offs can be more informative, helping practitioners make decisions based on diverse preferences. In this paper, we introduce a novel and low-compute algorithm, Model Merging with Amortized Pareto Front (MAP). MAP efficiently identifies a Pareto set of scaling coefficients for merging multiple models, reflecting the trade-offs involved. It amortizes the substantial computational cost of evaluations needed to estimate the Pareto front by using quadratic approximation surrogate models derived from a pre-selected set of scaling coefficients. Experimental results on vision and natural language processing tasks demonstrate that MAP can accurately identify the Pareto front, providing practitioners with flexible solutions to balance competing task objectives. We also introduce Bayesian MAP for scenarios with a relatively low number of tasks and Nested MAP for situations with a high number of tasks, further reducing the computational cost of evaluation.
MatExpert: Decomposing Materials Discovery by Mimicking Human Experts
Santiago Miret
Material discovery is a critical research area with profound implications for various industries. In this work, we introduce MatExpert, a no… (see more)vel framework that leverages Large Language Models (LLMs) and contrastive learning to accelerate the discovery and design of new solid-state materials. Inspired by the workflow of human materials design experts, our approach integrates three key stages: retrieval, transition, and generation. First, in the retrieval stage, MatExpert identifies an existing material that closely matches the desired criteria. Second, in the transition stage, MatExpert outlines the necessary modifications to transform this material formulation to meet specific requirements outlined by the initial user query. Third, in the generation state, MatExpert performs detailed computations and structural generation to create new materials based on the provided information. Our experimental results demonstrate that MatExpert outperforms state-of-the-art methods in material generation tasks, achieving superior performance across various metrics including validity, distribution, and stability. As such, MatExpert represents a meaningful advancement in computational material discovery using langauge-based generative models.
Meta Flow Matching: Integrating Vector Fields on the Wasserstein Manifold
Xi Zhang
Brandon Amos
Leo J. Lee
Kirill Neklyudov
Numerous biological and physical processes can be modeled as systems of interacting entities evolving continuously over time, e.g. the dynam… (see more)ics of communicating cells or physical particles. Learning the dynamics of such systems is essential for predicting the temporal evolution of populations across novel samples and unseen environments. Flow-based models allow for learning these dynamics at the population level - they model the evolution of the entire distribution of samples. However, current flow-based models are limited to a single initial population and a set of predefined conditions which describe different dynamics. We argue that multiple processes in natural sciences have to be represented as vector fields on the Wasserstein manifold of probability densities. That is, the change of the population at any moment in time depends on the population itself due to the interactions between samples. In particular, this is crucial for personalized medicine where the development of diseases and their respective treatment response depend on the microenvironment of cells specific to each patient. We propose Meta Flow Matching (MFM), a practical approach to integrate along these vector fields on the Wasserstein manifold by amortizing the flow model over the initial populations. Namely, we embed the population of samples using a Graph Neural Network (GNN) and use these embeddings to train a Flow Matching model. This gives MFM the ability to generalize over the initial distributions, unlike previously proposed methods. We demonstrate the ability of MFM to improve the prediction of individual treatment responses on a large-scale multi-patient single-cell drug screen dataset.
MMTEB: Massive Multilingual Text Embedding Benchmark
Kenneth Enevoldsen
Isaac Chung
Márton Kardos
Ashwin Mathur
David Stap
Wissam Siblini
Dominik Krzemiński
Genta Indra Winata
Saba Sturua
Saiteja Utpala
Mathieu Ciancone
Marion Schaeffer
Gabriel Sequeira
Shreeya Dhakal
Jonathan Rystrøm
Roman Solomatin
Ömer Çağatan … (see 66 more)
Akash Kundu
Martin Bernstorff
Shitao Xiao
Akshita Sukhlecha
Bhavish Pahwa
Rafał Poświata
Kranthi Kiran GV
Shawon Ashraf
Daniel Auras
Björn Plüster
Jan Philipp Harries
Loïc Magne
Isabelle Mohr
Mariya Hendriksen
Dawei Zhu
Hippolyte Gisserot-Boukhlef
Tom Aarsen
Jan Kostkan
Konrad Wojtasik
Taemin Lee
Marek Šuppa
Crystina Zhang
Roberta Rocca
Mohammed Hamdy
Andrianos Michail
John Yang
Manuel Faysse
Aleksei Vatolin
Nandan Thakur
Dipam Vasani
Pranjal Chitale
Simone Tedeschi
Nguyen Tai
Artem Snegirev
Michael Günther
Mengzhou Xia
Weijia Shi
Jordan Clive
Gayatri Krishnakumar
Anna Maksimova
Silvan Wehrli
Maria Tikhonova
Henil Panchal
Aleksandr Abramov
Malte Ostendorff
Zheng Liu
Simon Clematide
Lester James Miranda
Alena Fenogenova
Guangyu Song
Ruqiya Bin Safi
Wen-Ding Li
Alessia Borghini
Federico Cassano
Hongjin Su
Jimmy Lin
Howard Yen
Lasse Hansen
Sara Hooker
Chenghao Xiao
Orion Weller
Niklas Muennighoff
Text embeddings are typically evaluated on a limited set of tasks, which are constrained by language, domain, and task diversity. To address… (see more) these limitations and provide a more comprehensive evaluation, we introduce the Massive Multilingual Text Embedding Benchmark (MMTEB) - a large-scale, community-driven expansion of MTEB, covering over 500 quality-controlled evaluation tasks across 250+ languages. MMTEB includes a diverse set of challenging, novel tasks such as instruction following, long-document retrieval, and code retrieval, representing the largest multilingual collection of evaluation tasks for embedding models to date. Using this collection, we develop several highly multilingual benchmarks, which we use to evaluate a representative set of models. We find that while large language models (LLMs) with billions of parameters can achieve state-of-the-art performance on certain language subsets and task categories, the best-performing publicly available model is multilingual-e5-large-instruct with only 560 million parameters. To facilitate accessibility and reduce computational cost, we introduce a novel downsampling method based on inter-task correlation, ensuring a diverse selection while preserving relative model rankings. Furthermore, we optimize tasks such as retrieval by sampling hard negatives, creating smaller but effective splits. These optimizations allow us to introduce benchmarks that drastically reduce computational demands. For instance, our newly introduced zero-shot English benchmark maintains a ranking order similar to the full-scale version but at a fraction of the computational cost.
MODL: Multilearner Online Deep Learning
Boris Oreshkin
Mark J. Coates
Online deep learning solves the problem of learning from streams of data, reconciling two opposing objectives: learn fast and learn deep. Ex… (see more)isting work focuses almost exclusively on exploring pure deep learning solutions, which are much better suited to handle the"deep"than the"fast"part of the online learning equation. In our work, we propose a different paradigm, based on a hybrid multilearner approach. First, we develop a fast online logistic regression learner. This learner does not rely on backpropagation. Instead, it uses closed form recursive updates of model parameters, handling the fast learning part of the online learning problem. We then analyze the existing online deep learning theory and show that the widespread ODL approach, currently operating at complexity
Multi-Agent Cooperation Through Learning-Aware Policy Gradients
Alexander Meulemans
Seijin Kobayashi
Johannes Von Oswald
Blake A. Richards
Blaise Agüera y Arcas
João Sacramento
Self-interested individuals often fail to cooperate, posing a fundamental challenge for multi-agent learning. How can we achieve cooperation… (see more) among self-interested, independent learning agents? Promising recent work has shown that in certain tasks cooperation can be established between learning-aware agents who model the learning dynamics of each other. Here, we present the first unbiased, higher-derivative-free policy gradient algorithm for learning-aware reinforcement learning, which takes into account that other agents are themselves learning through trial and error based on multiple noisy trials. We then leverage efficient sequence models to condition behavior on long observation histories that contain traces of the learning dynamics of other agents. Training long-context policies with our algorithm leads to cooperative behavior and high returns on standard social dilemmas, including a challenging environment where temporally-extended action coordination is required. Finally, we derive from the iterated prisoner's dilemma a novel explanation for how and when cooperation arises among self-interested learning-aware agents.
Multi-Session, Multi-Task Neural Decoding from Distinct Cell-Types and Brain Regions
Mehdi Azabou
Krystal Xuejing Pan
Vinam Arora
Ian Knight
Eva L. Dyer
Recent work has shown that scale is important for improved brain decoding, with more data leading to greater decoding accuracy. However, lar… (see more)ge-scale decoding across many different datasets is challenging because neural circuits are heterogeneous---each brain region contains a unique mix of cellular sub-types, and the responses to different stimuli are diverse across regions and sub-types. It is unknown whether it is possible to pre-train and transfer brain decoding models between distinct tasks, cellular sub-types, and brain regions. To address these questions, we developed a multi-task transformer architecture and trained it on the entirety of the Allen Institute's Brain Observatory dataset. This dataset contains responses from over 100,000 neurons in 6 areas of the brains of mice, observed with two-photon calcium imaging, recorded while the mice observed different types of visual stimuli. Our results demonstrate that transfer is indeed possible -combining data from different sources is beneficial for a number of downstream decoding tasks. As well, we can transfer the model between regions and sub-types, demonstrating that there is in fact common information in diverse circuits that can be extracted by an appropriately designed model. Interestingly, we found that the model's latent representations showed clear distinctions between different brain regions and cellular sub-types, even though it was never given any information about these distinctions. Altogether, our work demonstrates that training a large-scale neural decoding model on diverse data is possible, and this provides a means of studying the differences and similarities between heterogeneous neural circuits.