Publications

Let Your Features Tell The Differences: Understanding Graph Convolution By Feature Splitting
Yilun Zheng
Xiang Li
Xiaojiang Peng
Lihui Chen
Graph Neural Networks (GNNs) have demonstrated strong capabilities in processing structured data. While traditional GNNs typically treat eac… (see more)h feature dimension equally important during graph convolution, we raise an important question: **Is the graph convolution operation equally beneficial for each feature?** If not, the convolution operation on certain feature dimensions can possibly lead to harmful effects, even worse than convolution-free models. Therefore, it is required to distinguish convolution-favored and convolution-disfavored features. Traditional feature selection methods mainly focus on identifying informative features or reducing redundancy, but they are not suitable for structured data as they overlook graph structures. In graph community, some studies have investigated the performance of GNN with respect to node features using feature homophily metrics, which assess feature consistency across graph topology. Unfortunately, these metrics do not effectively align with GNN performance and cannot be reliably used for feature selection in GNNs. To address these limitations, we introduce a novel metric, Topological Feature Informativeness (TFI), to distinguish GNN-favored and GNN-disfavored features, where its effectiveness is validated through both theoretical analysis and empirical observations. Based on TFI, we propose a simple yet effective Graph Feature Selection (GFS) method, which processes GNN-favored and GNN-disfavored features with GNNs and non-GNN models separately. Compared to original GNNs, GFS significantly improves the extraction of useful topological information from each feature with comparable computational costs. Extensive experiments show that after applying GFS to
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.
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-Modal and Multi-Attribute Generation of Single Cells with CFGen
Alessandro Palma
Till Richter
Hanyi Zhang
Manuel Lubetzki
Fabian J. Theis
Generative modeling of single-cell RNA-seq data is crucial for tasks like trajectory inference, batch effect removal, and simulation of real… (see more)istic cellular data. However, recent deep generative models simulating synthetic single cells from noise operate on pre-processed continuous gene expression approximations, overlooking the discrete nature of single-cell data, which limits their effectiveness and hinders the incorporation of robust noise models. Additionally, aspects like controllable multi-modal and multi-label generation of cellular data remain underexplored. This work introduces CellFlow for Generation (CFGen), a flow-based conditional generative model that preserves the inherent discreteness of single-cell data. CFGen generates whole-genome multi-modal single-cell data reliably, improving the recovery of crucial biological data characteristics while tackling relevant generative tasks such as rare cell type augmentation and batch correction. We also introduce a novel framework for compositional data generation using Flow Matching. By showcasing CFGen on a diverse set of biological datasets and settings, we provide evidence of its value to the fields of computational biology and deep generative models.
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.
MuPT: A Generative Symbolic Music Pretrained Transformer
Xingwei Qu
Yuelin Bai
Yinghao Ma
Ziya Zhou
Ka Man Lo
Jiaheng Liu
Ruibin Yuan
Lejun Min
Xueling Liu
Xinrun Du
Shuyue Guo
Yiming Liang
Yizhi Li
Shangda Wu
Junting Zhou
Tianyu Zheng
Ziyang Ma
Fengze Han
Wei Xue … (see 8 more)
Gus Xia
Emmanouil Benetos
Xiang Yue
Chenghua Lin
Xu Tan
Ge Zhang
In this paper, we explore the application of Large Language Models (LLMs) to the pre-training of music. While the prevalent use of MIDI in m… (see more)usic modeling is well-established, our findings suggest that LLMs are inherently more compatible with ABC Notation, which aligns more closely with their design and strengths, thereby enhancing the model's performance in musical composition.To address the challenges associated with misaligned measures from different tracks during generation, we propose the development of a
Neuroplastic Expansion in Deep Reinforcement Learning
Jiashun Liu
Johan Obando-Ceron
The loss of plasticity in learning agents, analogous to the solidification of neural pathways in biological brains, significantly impedes le… (see more)arning and adaptation in reinforcement learning due to its non-stationary nature. To address this fundamental challenge, we propose a novel approach, {\it Neuroplastic Expansion} (NE), inspired by cortical expansion in cognitive science. NE maintains learnability and adaptability throughout the entire training process by dynamically growing the network from a smaller initial size to its full dimension. Our method is designed with three key components: (\textit{1}) elastic topology generation based on potential gradients, (\textit{2}) dormant neuron pruning to optimize network expressivity, and (\textit{3}) neuron consolidation via experience review to strike a balance in the plasticity-stability dilemma. Extensive experiments demonstrate that NE effectively mitigates plasticity loss and outperforms state-of-the-art methods across various tasks in MuJoCo and DeepMind Control Suite environments. NE enables more adaptive learning in complex, dynamic environments, which represents a crucial step towards transitioning deep reinforcement learning from static, one-time training paradigms to more flexible, continually adapting models.
Novel method to automatize flash point detection in small volumes of liquid by computer vision using thermal images
Caroline St‐Antoine
Marie-Chloé Michaud Paradis
Pauline Gonnel
Gabrielle Foran
Arnaud Prébé
Mickaël Dollé
• Novel methodology for flash point detection of 15 to 300 μL of liquid. • Closed-cup flash point apparatus combined with thermal imagi… (see more)ng camera. • Use of computer vision for flash point detection. • Flash point detection at 95 % accuracy. A novel methodology to automate flash point detection of small solvent volumes has been successfully demonstrated and optimized. Flash point temperatures were measured using a closed-cup rapid flash point tester which was paired with a thermal imaging camera. The thermal imaging camara analyses the apparent temperature of the flame before, during and after the opening of the chamber. Two flash point standards and n-eicosane were used to validate the apparatus. Sample volume ranged between 15 and 300 μL which is of interest for the analysis of expensive or harmful liquids. This approach could eventually be extended to measuring flash points in gel polymer electrolytes, for which flammability testing is of significant interest for battery R&D. In this work, 462 flashpoints were collected to feed the machine learning algorithms. Convolutional neural network, support vector machine and random forest algorithms were used to determine the presence/absence of a flame. Flash points were predicted with an accuracy of 95 % and a precision of ±2 °C. Precision was found to be limited by the flash point detector rather than the analysis by computer vision. Other factors such as humidity (22 % to 55 %), atmospheric pressure (between 99.6 to 102.0 kPa) and volume of solvent were found to have little to no influence on flash point detection. The flash point temperatures tested in this study are limited to a range between 50 °C and 176 °C. Regression algorithms were employed to estimate the flash point temperature based on a single measurement presenting an improvement as accurate flash point detection traditionally requires several measurements.