Peu importe la taille : démocratiser la découverte de protéines avec l'IA
Des chercheurs de Mila ont créé un puissant modèle de langage protéique à source ouverte plus compact et efficace afin de démocratiser la découverte de protéines.
La prochaine cohorte de notre programme, conçu pour fournir aux participant·e·s une compréhension fondamentale des technologies de l'IA, se déroulera à Ottawa les 28 et 29 novembre.
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Publications
Interpretable Machine Learning for Finding Intermediate-mass Black Holes
Large decoder-only language models (LLMs) are the state-of-the-art models on most of today's NLP tasks and benchmarks. Yet, the community is… (voir plus) only slowly adopting these models for text embedding tasks, which require rich contextualized representations. In this work, we introduce LLM2Vec, a simple unsupervised approach that can transform any decoder-only LLM into a strong text encoder. LLM2Vec consists of three simple steps: 1) enabling bidirectional attention, 2) masked next token prediction, and 3) unsupervised contrastive learning. We demonstrate the effectiveness of LLM2Vec by applying it to 3 popular LLMs ranging from 1.3B to 7B parameters and evaluate the transformed models on English word- and sequence-level tasks. We outperform encoder-only models by a large margin on word-level tasks and reach a new unsupervised state-of-the-art performance on the Massive Text Embeddings Benchmark (MTEB). Moreover, when combining LLM2Vec with supervised contrastive learning, we achieve state-of-the-art performance on MTEB among models that train only on publicly available data. Our strong empirical results and extensive analysis demonstrate that LLMs can be effectively transformed into universal text encoders in a parameter-efficient manner without the need for expensive adaptation or synthetic GPT-4 generated data.
Numerous decision-making tasks require estimating causal effects under interventions on different parts of a system. As practitioners consid… (voir plus)er using large language models (LLMs) to automate decisions, studying their causal reasoning capabilities becomes crucial. A recent line of work evaluates LLMs ability to retrieve commonsense causal facts, but these evaluations do not sufficiently assess how LLMs reason about interventions. Motivated by the role that interventions play in causal inference, in this paper, we conduct empirical analyses to evaluate whether LLMs can accurately update their knowledge of a data-generating process in response to an intervention. We create benchmarks that span diverse causal graphs (e.g., confounding, mediation) and variable types, and enable a study of intervention-based reasoning. These benchmarks allow us to isolate the ability of LLMs to accurately predict changes resulting from their ability to memorize facts or find other shortcuts. Our analysis on four LLMs highlights that while GPT- 4 models show promising accuracy at predicting the intervention effects, they remain sensitive to distracting factors in the prompts.
Specifications play a crucial role in neural network verification. They define the precise input regions we aim to verify, typically represe… (voir plus)nted as L-infinity norm balls. While recent research suggests using neural activation patterns (NAPs) as specifications for verifying unseen test set data, it focuses on computing the most refined NAPs, often limited to very small regions in the input space. In this paper, we study the following problem: Given a neural network, find a minimal (coarsest) NAP that is sufficient for formal verification of the network's robustness. Finding the minimal NAP specification not only expands verifiable bounds but also provides insights into which neurons contribute to the model's robustness. To address this problem, we propose several exact and approximate approaches. Our exact approaches leverage the verification tool to find minimal NAP specifications in either a deterministic or statistical manner. Whereas the approximate methods efficiently estimate minimal NAPs using adversarial examples and local gradients, without making calls to the verification tool. This allows us to inspect potential causal links between neurons and the robustness of state-of-the-art neural networks, a task for which existing verification frameworks fail to scale. Our experimental results suggest that minimal NAP specifications require much smaller fractions of neurons compared to the most refined NAP specifications, yet they can significantly expand the verifiable boundaries to several orders of magnitude larger.
Computing differences between tree-structured data is a critical but challenging problem in software analysis. In this paper, we propose a n… (voir plus)ovel tree diffing approach called SatDiff, which reformulates the structural diffing problem into a MaxSAT problem. By encoding the necessary transformations from the source tree to the target tree, SatDiff generates correct, minimal, and type safe low-level edit scripts with formal guarantees. We then synthesize concise high-level edit scripts by effectively merging low-level edits in the appropriate topological order. Our empirical results demonstrate that SatDiff outperforms existing heuristic-based approaches by a significant margin in terms of conciseness while maintaining a reasonable runtime.
The jar test is the current standard method for predicting the performance of a conventional drinking water treatment (DWT) process and opti… (voir plus)mizing the coagulant dose. This test is time-consuming and requires human intervention, meaning it is infeasible for making continuous process predictions. As a potential alternative, we developed a machine learning (ML) model from historical DWT plant data that can operate continuously using real-time sensor data without human intervention for predicting clarified water turbidity 15 min in advance. We evaluated three types of models: multilayer perceptron (MLP), the long short-term memory (LSTM) recurrent neural network (RNN), and the gated recurrent unit (GRU) RNN. We also employed two training methodologies: the commonly used holdout method and the theoretically correct blocked cross-validation (BCV) method. We found that the RNN with GRU was the best model type overall and achieved a mean absolute error on an independent production set of as low as 0.044 NTU. We further found that models trained using BCV typically achieve errors equal to or lower than their counterparts trained using holdout. These results suggest that RNNs trained using BCV are superior for the development of ML models for DWT processes compared to those reported in earlier literature.