Publications

Geometric Signatures of Compositionality Across a Language Model's Lifetime
Jin Hwa Lee
Lei Yu
Emily Cheng
Compositionality, the notion that the meaning of an expression is constructed from the meaning of its parts and syntactic rules, permits the… (see more) infinite productivity of human language. For the first time, artificial language models (LMs) are able to match human performance in a number of compositional generalization tasks. However, much remains to be understood about the representational mechanisms underlying these abilities. We take a high-level geometric approach to this problem by relating the degree of compositionality in a dataset to the intrinsic dimensionality of its representations under an LM, a measure of feature complexity. We find not only that the degree of dataset compositionality is reflected in representations' intrinsic dimensionality, but that the relationship between compositionality and geometric complexity arises due to learned linguistic features over training. Finally, our analyses reveal a striking contrast between linear and nonlinear dimensionality, showing that they respectively encode formal and semantic aspects of linguistic composition.
Graph Anomaly Detection in Time Series: A Survey
Thi Kieu Khanh Ho
With the recent advances in technology, a wide range of systems continue to collect a large amount of data over time and thus generate time … (see more)series. Time-Series Anomaly Detection (TSAD) is an important task in various time-series applications such as e-commerce, cybersecurity, vehicle maintenance, and healthcare monitoring. However, this task is very challenging as it requires considering both the intra-variable dependency (relationships within a variable over time) and the inter-variable dependency (relationships between multiple variables) existing in time-series data. Recent graph-based approaches have made impressive progress in tackling the challenges of this field. In this survey, we conduct a comprehensive and up-to-date review of TSAD using graphs, referred to as G-TSAD. First, we explore the significant potential of graph representation for time-series data and and its contributions to facilitating anomaly detection. Then, we review state-of-the-art graph anomaly detection techniques, mostly leveraging deep learning architectures, in the context of time series. For each method, we discuss its strengths, limitations, and the specific applications where it excels. Finally, we address both the technical and application challenges currently facing the field, and suggest potential future directions for advancing research and improving practical outcomes.
Hadamard product in deep learning: Introduction, Advances and Challenges.
Grigorios G Chrysos
Yongtao Wu
Philip Torr
Volkan Cevher
Hallucination Detox: Sensitivity Dropout (SenD) for Large Language Model Training
As large language models (LLMs) become increasingly prevalent, concerns about their reliability, particularly due to hallucinations - factua… (see more)lly inaccurate or irrelevant outputs - have grown. Our research investigates the relationship between the uncertainty in training dynamics and the emergence of hallucinations. Using models from the Pythia suite and several hallucination detection metrics, we analyze hallucination trends and identify significant variance during training. To address this, we propose Sensitivity Dropout (SenD), a novel training protocol designed to reduce hallucination variance during training by deterministically dropping embedding indices with significant variability. In addition, we develop an unsupervised hallucination detection metric, Efficient EigenScore (EES), which approximates the traditional EigenScore in 2x speed. This metric is integrated into our training protocol, allowing SenD to be both computationally scalable and effective at reducing hallucination variance. SenD improves test-time reliability of Pythia and Meta's Llama models by up to 17% and enhances factual accuracy in Wikipedia, Medical, Legal, and Coding domains without affecting downstream task performance.
Harnessing Pre-trained Generalist Agents for Software Engineering Tasks
Paulina Stevia Nouwou Mindom
Amin Nikanjam
Nowadays, we are witnessing an increasing adoption of Artificial Intelligence (AI) to develop techniques aimed at improving the reliability,… (see more) effectiveness, and overall quality of software systems. Deep reinforcement learning (DRL) has recently been successfully used for automation in complex tasks such as game testing and solving the job-shop scheduling problem. However, these specialized DRL agents, trained from scratch on specific tasks, suffer from a lack of generalizability to other tasks and they need substantial time to be developed and re-trained effectively. Recently, DRL researchers have begun to develop generalist agents, able to learn a policy from various environments and capable of achieving performances similar to or better than specialist agents in new tasks. In the Natural Language Processing or Computer Vision domain, these generalist agents are showing promising adaptation capabilities to never-before-seen tasks after a light fine-tuning phase and achieving high performance. This paper investigates the potential of generalist agents for solving SE tasks. Specifically, we conduct an empirical study aimed at assessing the performance of two generalist agents on two important SE tasks: the detection of bugs in games (for two games) and the minimization of makespan in a scheduling task, to solve the job-shop scheduling problem (for two instances). Our results show that the generalist agents outperform the specialist agents with very little effort for fine-tuning, achieving a 20% reduction of the makespan over specialized agent performance on task-based scheduling. In the context of game testing, some generalist agent configurations detect 85% more bugs than the specialist agents. Building on our analysis, we provide recommendations for researchers and practitioners looking to select generalist agents for SE tasks, to ensure that they perform effectively.
https://www.neuromodec.org/journal/4/2/NzBlvmDpUYspQQbvI4B Online Transcranial Random Noise Stimulation of the Right Temporoparietal Junction Acutely Modulates Human-Machine Social Interactions
Vincent Chamberland
Quentin Moreau
Lisane Moses
Gabriela Milanova
ICLR 2025 Workshop on Tackling Climate Change with Machine Learning: Data-Centric Approaches in ML for Climate Action
Konstantin Klemmer
Melissa Chapman
Lily Xu
Poon Kin Ho
Mélisande Teng
Patrick Emami
Climate change is one of the greatest problems society has ever faced, with increasingly severe consequences for humanity as natural disaste… (see more)rs multiply, sea levels rise, and ecosystems falter. While no silver bullet, machine learning can be an invaluable tool in fighting climate change via a wide array of applications and techniques, from designing smart electric grids to tracking greenhouse gas emissions through satellite imagery. These applications require algorithmic innovations in machine learning and close collaboration with diverse fields and practitioners. This workshop is intended as a forum for those in the global machine learning community who wish to help tackle climate change, and is further aimed to help foster cross-pollination between researchers in machine learning and experts in complementary climate-relevant fields. Building on our past workshops on this topic, this workshop particularly aims to explore data-centric ML approaches for climate action. Data-centric ML is not only a timely topic within the ICLR community, as analyzing and engineering (pre)training datasets becomes increasingly important, but holds specific challenges and opportunities in climate-related areas. We also want to take the opportunity of ICLR being hosted in Singapore to engage with local communities and shine a light on work that deploys, analyzes or critiques ML methods and their use for climate change adaptation and mitigation on the Asian continent.
An identification of models to help in the design of national strategies and policies to reduce greenhouse gas emissions.
Danielle Maia de Souza
Radhwane Boukelouha
Catherine Morency
Normand Mousseau
Martin Trépanier
ImageFlowNet: Forecasting Multiscale Image-Level Trajectories of Disease Progression with Irregularly-Sampled Longitudinal Medical Images
Chen Liu
Ke Xu
Liangbo L. Shen
Jay Stewart
Jay C. Wang
Lucian V. Del Priore
Advances in medical imaging technologies have enabled the collection of longitudinal images, which involve repeated scanning of the same pat… (see more)ients over time, to monitor disease progression. However, predictive modeling of such data remains challenging due to high dimensionality, irregular sampling, and data sparsity. To address these issues, we propose ImageFlowNet, a novel model designed to forecast disease trajectories from initial images while preserving spatial details. ImageFlowNet first learns multiscale joint representation spaces across patients and time points, then optimizes deterministic or stochastic flow fields within these spaces using a position-parameterized neural ODE/SDE framework. The model leverages a UNet architecture to create robust multiscale representations and mitigates data scarcity by combining knowledge from all patients. We provide theoretical insights that support our formulation of ODEs, and motivate our regularizations involving high-level visual features, latent space organization, and trajectory smoothness. We validate ImageFlowNet on three longitudinal medical image datasets depicting progression in geographic atrophy, multiple sclerosis, and glioblastoma, demonstrating its ability to effectively forecast disease progression and outperform existing methods. Our contributions include the development of ImageFlowNet, its theoretical underpinnings, and empirical validation on real-world datasets. The official implementation is available at https://github.com/KrishnaswamyLab/ImageFlowNet.
Inference-Aware Fine-Tuning for Best-of-N Sampling in Large Language Models
Yinlam Chow
Guy Tennenholtz
Izzeddin Gur
Vincent Zhuang
Bo Dai
Sridhar Thiagarajan
Craig Boutilier
Aviral Kumar
Aleksandra Faust
Recent studies have indicated that effectively utilizing inference-time compute is crucial for attaining better performance from large langu… (see more)age models (LLMs). In this work, we propose a novel inference-aware fine-tuning paradigm, in which the model is fine-tuned in a manner that directly optimizes the performance of the inference-time strategy. We study this paradigm using the simple yet effective Best-of-N (BoN) inference strategy, in which a verifier selects the best out of a set of LLM-generated responses. We devise the first imitation learning and reinforcement learning~(RL) methods for BoN-aware fine-tuning, overcoming the challenging, non-differentiable argmax operator within BoN. We empirically demonstrate that our BoN-aware models implicitly learn a meta-strategy that interleaves best responses with more diverse responses that might be better suited to a test-time input -- a process reminiscent of the exploration-exploitation trade-off in RL. Our experiments demonstrate the effectiveness of BoN-aware fine-tuning in terms of improved performance and inference-time compute. In particular, we show that our methods improve the Bo32 performance of Gemma 2B on Hendrycks MATH from 26.8% to 30.8%, and pass@32 from 60.0% to 67.0%, as well as the pass@16 on HumanEval from 61.6% to 67.1%.
Insights into heart failure metabolite markers through explainable machine learning
Pamela Mehanna
Caroline Daneault
Leslie Hausermann
David Busseuil
Jean-Claude Tardif
Jocelyn Dupuis
Christine Des Rosiers
Matthieu Ruiz
Julie G. Hussin
Understanding molecular traits through metabolomics offers an avenue to tailor cardiovascular prevention, diagnosis and treatment strategies… (see more) more effectively. This study focuses on the application of machine learning (ML) and explainable artificial intelligence (XAI) algorithms to detect discriminant molecular signatures in heart failure (HF). We aim to uncover metabolites with significant predictive value by analyzing targeted metabolomics data through ML and XAI algorithms. After quality control, we analyzed 55 metabolites from 124 plasma samples, including 53 HF patients and 71 controls, comparing Ridge Logistic Regression, Support Vector Machine and eXtreme Gradient Boosting models. All achieved high accuracy in predicting group labels: 84.0% [95% CI: 75.3 — 92.7], 85.73 [95% CI: 78.6 — 92.9], and 84.8% [95% CI: 76.1 – 93.5], respectively. Permutation-based variable importance and Local Interpretable Model-agnostic Explanations (LIME) were used for group-level and individual-level explainability, respectively, complemented by H-Friedman statistics for variable interactions, yielding reliable, explainable insights of the ML models. Metabolites well-known for their association with HF, such as glucose and cholesterol, and more recently described, the C18:1 carnitine, were reaffirmed in our analysis. The novel discovery of lignoceric acid (C24:0 fatty acid) as a critical discriminator, was confirmed in a replication cohort, underscoring its potential as a metabolite marker. Furthermore, our study highlights the utility of 2-way variable interaction analysis in unveiling a network of metabolite interactions essential for accurate disease prediction. The results demonstrate our approach's efficacy in identifying key metabolites and their interactions, illustrating the power of ML and XAI in advancing personalized healthcare solutions.
Integer Programming Games: A Gentle Computational Overview
Gabriele Dragotto
Andrea Lodi
Sriram Sankaranarayan