Simulation-based inference (SBI) enables amortized Bayesian inference for simulators with implicit likelihoods. But when we are primarily interested in the quality of predictive simulations, or when the model cannot exactly reproduce the observed data (i.e., is misspecified), targeting the Bayesian posterior may be overly restrictive. Generalized Bayesian Inference (GBI) aims to robustify inference for (misspecified) simulator models, replacing the likelihood-function with a cost function that evaluates the goodness of parameters relative to data. However, GBI methods generally require running multiple simulations to estimate the cost function at each parameter value during inference, making the approach computationally infeasible for even moderately complex simulators. Here, we propose amortized cost estimation (ACE) for GBI to address this challenge: We train a neural network to approximate the cost function, which we define as the expected distance between simulations produced by a parameter and observed data. The trained network can then be used with MCMC to infer GBI posteriors for any observation without running additional simulations. We show that, on several benchmark tasks, ACE accurately predicts cost and provides predictive simulations that are closer to synthetic observations than other SBI methods, especially for misspecified simulators. Finally, we apply ACE to infer parameters of the Hodgkin-Huxley model given real intracellular recordings from the Allen Cell Types Database. ACE identifies better data-matching parameters while being an order of magnitude more simulation-efficient than a standard SBI method. In summary, ACE combines the strengths of SBI methods and GBI to perform robust and simulation-amortized inference for scientific simulators.
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As neural networks grow in scale, their training becomes both computationally demanding and rich in dynamics. Amidst the flourishing interest in these training dynamics, we present a novel observation: Parameters during training exhibit intrinsic correlations over time. Capitalizing on this, we introduce Correlation Mode Decomposition (CMD). This algorithm clusters the parameter space into groups, termed modes, that display synchronized behavior across epochs. This enables CMD to efficiently represent the training dynamics of complex networks, like ResNets and Transformers, using only a few modes. Moreover, test set generalization is enhanced. We introduce an efficient CMD variant, designed to run concurrently with training. Our experiments indicate that CMD surpasses the state-of-the-art method for compactly modeled dynamics on image classification. Our modeling can improve training efficiency and lower communication overhead, as shown by our preliminary experiments in the context of federated learning.
Input-Convex Neural Networks (ICNNs) are networks that guarantee convexity in their input-output mapping. These networks have been successfully applied for energy-based modelling, optimal transport problems and learning invariances. The convexity of ICNNs is achieved by using non-decreasing convex activation functions and non-negative weights. Because of these peculiarities, previous initialisation strategies, which implicitly assume centred weights, are not effective for ICNNs. By studying signal propagation through layers with non-negative weights, we are able to derive a principled weight initialisation for ICNNs. Concretely, we generalise signal propagation theory by removing the assumption that weights are sampled from a centred distribution. In a set of experiments, we demonstrate that our principled initialisation effectively accelerates learning in ICNNs and leads to better generalisation. Moreover, we find that, in contrast to common belief, ICNNs can be trained without skip-connections when initialised correctly. Finally, we apply ICNNs to a real-world drug discovery task and show that they allow for more effective molecular latent space exploration.
As AI/ML models, including Large Language Models, continue to scale with massive datasets, so does their consumption of undeniably limited natural resources, and impact on society. In this collaboration between AI, Sustainability, HCI and legal researchers, we aim to enable a transition to sustainable AI development by enabling stakeholders across the AI value chain to assess and quantitfy the environmental and societal impact of AI. We present the ESG Digital and Green Index (DGI), which offers a dashboard for assessing a company's performance in achieving sustainability targets. This includes monitoring the efficiency and sustainable use of limited natural resources related to AI technologies (water, electricity, etc). It also addresses the societal and governance challenges related to AI. The DGI creates incentives for companies to align their pathway with the Sustainable Development Goals (SDGs). The value, challenges and limitations of our methodology and findings are discussed in the paper.
Recently, ChatGPT or InstructGPT like large language models (LLM) has made a significant impact in the AI world. These models are incredibly versatile, capable of performing language tasks on par or even exceeding the capabilities of human experts. Many works have attempted to reproduce the complex InstructGPT's RLHF (Reinforcement Learning with Human Feedback) training pipeline. However, the mainstream distributed RLHF training methods typically adopt a fixed model placement strategy, referred to as the Flattening strategy. This strategy treats all four models involved in RLHF as a single entity and places them on all devices, regardless of their differences. Unfortunately, this strategy exacerbates the generation bottlenecks in the RLHF training and degrades the overall training efficiency. To address these issues, we propose an adaptive model placement framework that offers two flexible model placement strategies. These strategies allow for the agile allocation of models across devices in a fine-grained manner. The Interleaving strategy helps reduce memory redundancy and communication costs during RLHF training. On the other hand, the Separation strategy improves the throughput of model training by separating the training and generation stages of the RLHF pipeline. Notably, this framework seamlessly integrates with other mainstream techniques for acceleration and enables automatic hyperparameter search. Extensive experiments have demonstrated that our Interleaving and Separation strategies can achieve notable improvements up to 11x, compared to the current state-of-the-art (SOTA) approaches. These experiments encompassed a wide range of training scenarios, involving models of varying sizes and devices of different scales. The results highlight the effectiveness and superiority of our approaches in accelerating the training of distributed RLHF.
Through additional training, we explore embedding specialized scientific knowledge into the Llama 2 Large Language Model (LLM). Key findings reveal that effective knowledge integration requires reading texts from multiple perspectives, especially in instructional formats. We utilize text augmentation to tackle the scarcity of specialized texts, including style conversions and translations. Hyperparameter optimization proves crucial, with different size models (7b, 13b, and 70b) reasonably undergoing additional training. Validating our methods, we construct a dataset of 65,000 scientific papers. Although we have succeeded in partially embedding knowledge, the study highlights the complexities and limitations of incorporating specialized information into LLMs, suggesting areas for further improvement.
Textual label names (descriptions) are typically semantically rich in many natural language understanding (NLU) tasks. In this paper, we incorporate the prompting methodology, which is widely used to enrich model input, into the label side for the first time. Specifically, we propose a Mask Matching method, which equips an input with a prompt and its label with another, and then makes predictions by matching their mask representations. We evaluate our method extensively on 8 NLU tasks with 14 datasets. The experimental results show that Mask Matching significantly outperforms its counterparts of fine-tuning and conventional prompt-tuning, setting up state-of-the-art performances in several datasets. Mask Matching is particularly good at handling NLU tasks with large label counts and informative label names. As pioneering efforts that investigate the label-side prompt, we also discuss open issues for future study.
Currently, there are over 14 billion IoT devices [7], and with many devices come many protocols, the main ones being MQTT and CoAP. We are interested in connecting the many diverse IoT devices to the cloud. To do so, we use the middleware architecture proposed by article [8] in which a device, called the middleware, acts as the middleman between the various IoT networks and the cloud. Since IoT devices typically operate in real-time, performance is of great concern. Therefore, we conducted a simulation to measure the data latency of using middleware and the overall fairness between different IoT networks. Our simulation had an MQTT and a CoAP network interacting with the middleware. The simulation results showed that CoAP always had a lower travel time than MQTT, mainly because CoAP is a more lightweight protocol. However, we also found that MQTT had slightly more throughput, which was unexpected since we initially thought that CoAP would have had higher throughput. We have shown that analyzing data via a middleware device is possible and that there are potential directions to explore, such as evaluating different Quality of Service Algorithms in the context of having a middleware device.
Since Pretrained Language Models (PLMs) are the cornerstone of the most recent Information Retrieval (IR) models, the way they encode semantic knowledge is particularly important. However, little attention has been given to studying the PLMs' capability to capture hierarchical semantic knowledge. Traditionally, evaluating such knowledge encoded in PLMs relies on their performance on a task-dependent evaluation approach based on proxy tasks, such as hypernymy detection. Unfortunately, this approach potentially ignores other implicit and complex taxonomic relations. In this work, we propose a task-agnostic evaluation method able to evaluate to what extent PLMs can capture complex taxonomy relations, such as ancestors and siblings. The evaluation is based on intrinsic properties that capture the hierarchical nature of taxonomies. Our experimental evaluation shows that the lexico-semantic knowledge implicitly encoded in PLMs does not always capture hierarchical relations. We further demonstrate that the proposed properties can be injected into PLMs to improve their understanding of hierarchy. Through evaluations on taxonomy reconstruction, hypernym discovery and reading comprehension tasks, we show that the knowledge about hierarchy is moderately but not systematically transferable across tasks.
Existing knowledge graph (KG) embedding models have primarily focused on static KGs. However, real-world KGs do not remain static, but rather evolve and grow in tandem with the development of KG applications. Consequently, new facts and previously unseen entities and relations continually emerge, necessitating an embedding model that can quickly learn and transfer new knowledge through growth. Motivated by this, we delve into an expanding field of KG embedding in this paper, i.e., lifelong KG embedding. We consider knowledge transfer and retention of the learning on growing snapshots of a KG without having to learn embeddings from scratch. The proposed model includes a masked KG autoencoder for embedding learning and update, with an embedding transfer strategy to inject the learned knowledge into the new entity and relation embeddings, and an embedding regularization method to avoid catastrophic forgetting. To investigate the impacts of different aspects of KG growth, we construct four datasets to evaluate the performance of lifelong KG embedding. Experimental results show that the proposed model outperforms the state-of-the-art inductive and lifelong embedding baselines.
Recently, graph neural networks (GNNs) have been widely used for document classification. However, most existing methods are based on static word co-occurrence graphs without sentence-level information, which poses three challenges:(1) word ambiguity, (2) word synonymity, and (3) dynamic contextual dependency. To address these challenges, we propose a novel GNN-based sparse structure learning model for inductive document classification. Specifically, a document-level graph is initially generated by a disjoint union of sentence-level word co-occurrence graphs. Our model collects a set of trainable edges connecting disjoint words between sentences and employs structure learning to sparsely select edges with dynamic contextual dependencies. Graphs with sparse structures can jointly exploit local and global contextual information in documents through GNNs. For inductive learning, the refined document graph is further fed into a general readout function for graph-level classification and optimization in an end-to-end manner. Extensive experiments on several real-world datasets demonstrate that the proposed model outperforms most state-of-the-art results, and reveal the necessity to learn sparse structures for each document.
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