The Laplace approximation (LA) of the Bayesian posterior is a Gaussian distribution centered at the maximum a posteriori estimate. Its appeal in Bayesian deep learning stems from the ability to quantify uncertainty post-hoc (i.e., after standard network parameter optimization), the ease of sampling from the approximate posterior, and the analytic form of model evidence. However, an important computational bottleneck of LA is the necessary step of calculating and inverting the Hessian matrix of the log posterior. The Hessian may be approximated in a variety of ways, with quality varying with a number of factors including the network, dataset, and inference task. In this paper, we propose an alternative framework that sidesteps Hessian calculation and inversion. The Hessian-free Laplace (HFL) approximation uses curvature of both the log posterior and network prediction to estimate its variance. Only two point estimates are needed: the standard maximum a posteriori parameter and the optimal parameter under a loss regularized by the network prediction. We show that, under standard assumptions of LA in Bayesian deep learning, HFL targets the same variance as LA, and can be efficiently amortized in a pre-trained network. Experiments demonstrate comparable performance to that of exact and approximate Hessians, with excellent coverage for in-between uncertainty.
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Symbolic Regression (SR) is a task which aims to extract the mathematical expression underlying a set of empirical observations. Transformer-based methods trained on SR datasets detain the current state-of-the-art in this task, while the application of Large Language Models (LLMs) to SR remains unexplored. This work investigates the integration of pre-trained LLMs into the SR pipeline, utilizing an approach that iteratively refines a functional form based on the prediction error it achieves on the observation set, until it reaches convergence. Our method leverages LLMs to propose an initial set of possible functions based on the observations, exploiting their strong pre-training prior. These functions are then iteratively refined by the model itself and by an external optimizer for their coefficients. The process is repeated until the results are satisfactory. We then analyze Vision-Language Models in this context, exploring the inclusion of plots as visual inputs to aid the optimization process. Our findings reveal that LLMs are able to successfully recover good symbolic equations that fit the given data, outperforming SR baselines based on Genetic Programming, with the addition of images in the input showing promising results for the most complex benchmarks.
Fairness is steadily becoming a crucial requirement of Machine Learning (ML) systems. A particularly important notion is subgroup fairness, i.e., fairness in subgroups of individuals that are defined by more than one attributes. Identifying bias in subgroups can become both computationally challenging, as well as problematic with respect to comprehensibility and intuitiveness of the finding to end users. In this work we focus on the latter aspects; we propose an explainability method tailored to identifying potential bias in subgroups and visualizing the findings in a user friendly manner to end users. In particular, we extend the ALE plots explainability method, proposing FALE (Fairness aware Accumulated Local Effects) plots, a method for measuring the change in fairness for an affected population corresponding to different values of a feature (attribute). We envision FALE to function as an efficient, user friendly, comprehensible and reliable first-stage tool for identifying subgroups with potential bias issues.
Large Language Models (LLMs) encapsulate an extensive amount of world knowledge, and this has enabled their application in various domains to improve the performance of a variety of Natural Language Processing (NLP) tasks. This has also facilitated a more accessible paradigm of conversation-based interactions between humans and AI systems to solve intended problems. However, one interesting avenue that shows untapped potential is the use of LLMs as Reinforcement Learning (RL) agents to enable conversational RL problem solving. Therefore, in this study, we explore the concept of formulating Markov Decision Process-based RL problems as LLM prompting tasks. We demonstrate how LLMs can be iteratively prompted to learn and optimize policies for specific RL tasks. In addition, we leverage the introduced prompting technique for episode simulation and Q-Learning, facilitated by LLMs. We then show the practicality of our approach through two detailed case studies for "Research Scientist" and "Legal Matter Intake" workflows.
Grounding the common-sense reasoning of Large Language Models (LLMs) in physical domains remains a pivotal yet unsolved problem for embodied AI. Whereas prior works have focused on leveraging LLMs directly for planning in symbolic spaces, this work uses LLMs to guide the search of task structures and constraints implicit in multi-step demonstrations. Specifically, we borrow from manipulation planning literature the concept of mode families, which group robot configurations by specific motion constraints, to serve as an abstraction layer between the high-level language representations of an LLM and the low-level physical trajectories of a robot. By replaying a few human demonstrations with synthetic perturbations, we generate coverage over the demonstrations' state space with additional successful executions as well as counterfactuals that fail the task. Our explanation-based learning framework trains an end-to-end differentiable neural network to predict successful trajectories from failures and as a by-product learns classifiers that ground low-level states and images in mode families without dense labeling. The learned grounding classifiers can further be used to translate language plans into reactive policies in the physical domain in an interpretable manner. We show our approach improves the interpretability and reactivity of imitation learning through 2D navigation and simulated and real robot manipulation tasks. Website: //yanweiw.github.io/glide
There is an increasing level of interest in open-endedness in the recent literature of Artificial Life and Artificial Intelligence. We previously proposed the cardinality leap of possibility spaces as a promising mechanism to facilitate open-endedness in artificial evolutionary systems, and demonstrated its effectiveness using Hash Chemistry, an artificial chemistry model that used a hash function as a universal fitness evaluator. However, the spatial nature of Hash Chemistry came with extensive computational costs involved in its simulation, and the particle density limit imposed to prevent explosion of computational costs prevented unbounded growth in complexity of higher-order entities. To address these limitations, here we propose a simpler non-spatial variant of Hash Chemistry in which spatial proximity of particles are represented explicitly in the form of multisets. This model modification achieved a significant reduction of computational costs in simulating the model. Results of numerical simulations showed much more significant unbounded growth in both maximal and average sizes of replicating higher-order entities than the original model, demonstrating the effectiveness of this non-spatial model as a minimalistic example of open-ended evolutionary systems.
The Stochastic Gradient Langevin Dynamics (SGLD) are popularly used to approximate Bayesian posterior distributions in statistical learning procedures with large-scale data. As opposed to many usual Markov chain Monte Carlo (MCMC) algorithms, SGLD is not stationary with respect to the posterior distribution; two sources of error appear: The first error is introduced by an Euler--Maruyama discretisation of a Langevin diffusion process, the second error comes from the data subsampling that enables its use in large-scale data settings. In this work, we consider an idealised version of SGLD to analyse the method's pure subsampling error that we then see as a best-case error for diffusion-based subsampling MCMC methods. Indeed, we introduce and study the Stochastic Gradient Langevin Diffusion (SGLDiff), a continuous-time Markov process that follows the Langevin diffusion corresponding to a data subset and switches this data subset after exponential waiting times. There, we show the exponential ergodicity of SLGDiff and that the Wasserstein distance between the posterior and the limiting distribution of SGLDiff is bounded above by a fractional power of the mean waiting time. We bring our results into context with other analyses of SGLD.
We present a novel approach to detecting noun abstraction within a large language model (LLM). Starting from a psychologically motivated set of noun pairs in taxonomic relationships, we instantiate surface patterns indicating hypernymy and analyze the attention matrices produced by BERT. We compare the results to two sets of counterfactuals and show that we can detect hypernymy in the abstraction mechanism, which cannot solely be related to the distributional similarity of noun pairs. Our findings are a first step towards the explainability of conceptual abstraction in LLMs.
Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.
Named entity recognition (NER) is the task to identify text spans that mention named entities, and to classify them into predefined categories such as person, location, organization etc. NER serves as the basis for a variety of natural language applications such as question answering, text summarization, and machine translation. Although early NER systems are successful in producing decent recognition accuracy, they often require much human effort in carefully designing rules or features. In recent years, deep learning, empowered by continuous real-valued vector representations and semantic composition through nonlinear processing, has been employed in NER systems, yielding stat-of-the-art performance. In this paper, we provide a comprehensive review on existing deep learning techniques for NER. We first introduce NER resources, including tagged NER corpora and off-the-shelf NER tools. Then, we systematically categorize existing works based on a taxonomy along three axes: distributed representations for input, context encoder, and tag decoder. Next, we survey the most representative methods for recent applied techniques of deep learning in new NER problem settings and applications. Finally, we present readers with the challenges faced by NER systems and outline future directions in this area.
Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis.
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