Foundation Language Models (FLMs) such as BERT and its variants have achieved remarkable success in natural language processing. To date, the interpretability of FLMs has primarily relied on the attention weights in their self-attention layers. However, these attention weights only provide word-level interpretations, failing to capture higher-level structures, and are therefore lacking in readability and intuitiveness. To address this challenge, we first provide a formal definition of *conceptual interpretation* and then propose a variational Bayesian framework, dubbed VAriational Language Concept (VALC), to go beyond word-level interpretations and provide concept-level interpretations. Our theoretical analysis shows that our VALC finds the optimal language concepts to interpret FLM predictions. Empirical results on several real-world datasets show that our method can successfully provide conceptual interpretation for FLMs.
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Adaptive Feature-based Low-Rank Compression of Large Language Models via Bayesian Optimization
PDF ↗In recent years, large language models (LLMs) have driven advances in natural language processing. Still, their growing scale has increased the computational burden, necessitating a balance between efficiency and performance. Low-rank compression, a promising technique, reduces non-essential parameters by decomposing weight matrices into products of two low-rank matrices. Yet, its application in LLMs has not been extensively studied. The key to low-rank compression lies in low-rank factorization and low-rank dimensions allocation. To address the challenges of low-rank compression in LLMs, we conduct empirical research on the low-rank characteristics of large models. We propose a low-rank compression method suitable for LLMs. This approach involves precise estimation of feature distributions through pooled covariance matrices and a Bayesian optimization strategy for allocating low-rank dimensions. Experiments on the LLaMA-2 models demonstrate that our method outperforms existing strong structured pruning and low-rank compression techniques in maintaining model performance at the same compression ratio.
Bayesian Example Selection Improves In-Context Learning for Speech, Text and Visual Modalities
PDF ↗Large language models (LLMs) can adapt to new tasks through in-context learning (ICL) based on a few examples presented in dialogue history without any model parameter update. Despite such convenience, the performance of ICL heavily depends on the quality of the in-context examples presented, which makes the in-context example selection approach a critical choice. This paper proposes a novel eBayesian in-Context example Selection method (ByCS) for ICL. Extending the inference probability conditioned on in-context examples based on Bayes’ theorem, ByCS focuses on the inverse inference conditioned on test input. Following the assumption that accurate inverse inference probability (likelihood) will result in accurate inference probability (posterior), in-context examples are selected based on their inverse inference results. Diverse and extensive cross-tasking and cross-modality experiments are performed with speech, text, and image examples. Experimental results show the efficacy and robustness of our ByCS method on various models, tasks and modalities.
Evaluating Large Language Models along Dimensions of Language Variation: A Systematik Invesdigatiom uv Cross-lingual Generalization
PDF ↗While large language models exhibit certain cross-lingual generalization capabilities, they suffer from performance degradation (PD) on unseen closely-related languages (CRLs) and dialects relative to their high-resource language neighbour (HRLN). However, we currently lack a fundamental understanding of what kinds of linguistic distances contribute to PD, and to what extent. Furthermore, studies of cross-lingual generalization are confounded by unknown quantities of CRL language traces in the training data, and by the frequent lack of availability of evaluation data in lower-resource related languages and dialects. To address these issues, we model phonological, morphological, and lexical distance as Bayesian noise processes to synthesize artificial languages that are controllably distant from the HRLN. We analyse PD as a function of underlying noise parameters, offering insights on model robustness to isolated and composed linguistic phenomena, and the impact of task and HRL characteristics on PD. We calculate parameter posteriors on real CRL-HRLN pair data and show that they follow computed trends of artificial languages, demonstrating the viability of our noisers. Our framework offers a cheap solution for estimating task performance on an unseen CRL given HRLN performance using its posteriors, as well as for diagnosing observed PD on a CRL in terms of its linguistic distances from its HRLN, and opens doors to principled methods of mitigating performance degradation.
A SMART Mnemonic Sounds like “Glue Tonic”: Mixing LLMs with Student Feedback to Make Mnemonic Learning Stick
PDF ↗Keyword mnemonics are memorable explanations that link new terms to simpler keywords.Prior work generates mnemonics for students, but they do not train models using mnemonics students prefer and aid learning.We build SMART, a mnemonic generator trained on feedback from real students learning new terms.To train SMART, we first fine-tune LLaMA-2 on a curated set of user-written mnemonics.We then use LLM alignment to enhance SMART: we deploy mnemonics generated by SMART in a flashcard app to find preferences on mnemonics students favor.We gather 2684 preferences from 45 students across two types: **expressed** (inferred from ratings) and **observed** (inferred from student learning), yielding three key findings.First, expressed and observed preferences disagree; what students *think* is helpful does not always capture what is *truly* helpful.Second, Bayesian models can synthesize complementary data from multiple preference types into a single effectiveness signal.SMART is tuned via Direct Preference Optimization on this signal, which resolves ties and missing labels in the typical method of pairwise comparisons, augmenting data for LLM output quality gains. Third, mnemonic experts assess SMART as matching GPT-4 at much lower deployment costs, showing the utility of capturing diverse student feedback to align LLMs in education.
Recent advances in large language models (LLMs) show the potential of using LLMs as evaluators for assessing the quality of text generations from LLMs. However, applying LLM evaluators naively to compare different systems can lead to unreliable results due to the inaccuracy and intrinsic bias of LLM evaluators. In order to mitigate this problem, we propose two calibration methods, Bayesian Win-Rate Sampling (BWRS) and Bayesian Dawid-Skene, both of which leverage Bayesian inference to more accurately infer the true win rate of generative language models. We empirically validate our methods on six datasets covering story generation, summarization, and instruction following tasks. We show that both our methods are effective in improving the accuracy of win rate estimation using LLMs as evaluators, offering a promising direction for reliable automatic text quality evaluation.
Deep Learning · Algorithms
*Visual reprogramming* (VR) leverages the intrinsic capabilities of pretrained vision models by adapting their input or output interfaces to solve downstream tasks whose labels (i.e., downstream labels) might be totally different from the labels associated with the pretrained models (i.e., pretrained labels). When adapting the output interface, label mapping methods transform the pretrained labels to downstream labels by establishing a gradient-free one-to-one correspondence between the two sets of labels.However, in this paper, we reveal that one-to-one mappings may overlook the complex relationship between pretrained and downstream labels. Motivated by this observation, we propose a ***B**ayesian-guided **L**abel **M**apping* (BLM) method. BLM constructs an iteratively-updated probabilistic label mapping matrix, with each element quantifying a pairwise relationship between pretrained and downstream labels.The assignment of values to the constructed matrix is guided by Bayesian conditional probability, considering the joint distribution of the downstream labels and the labels predicted by the pretrained model on downstream samples. Experiments conducted on both pretrained vision models (e.g., ResNeXt) and vision-language models (e.g., CLIP) demonstrate the superior performance of BLM over existing label mapping methods. The success of BLM also offers a probabilistic lens through which to understand and analyze the effectiveness of VR.Our code is available at https://github.com/tmlr-group/BayesianLM.
Trustworthy Machine Learning
*Visual reprogramming* (VR) leverages the intrinsic capabilities of pretrained vision models by adapting their input or output interfaces to solve downstream tasks whose labels (i.e., downstream labels) might be totally different from the labels associated with the pretrained models (i.e., pretrained labels). When adapting the output interface, label mapping methods transform the pretrained labels to downstream labels by establishing a gradient-free one-to-one correspondence between the two sets of labels.However, in this paper, we reveal that one-to-one mappings may overlook the complex relationship between pretrained and downstream labels. Motivated by this observation, we propose a ***B**ayesian-guided **L**abel **M**apping* (BLM) method. BLM constructs an iteratively-updated probabilistic label mapping matrix, with each element quantifying a pairwise relationship between pretrained and downstream labels.The assignment of values to the constructed matrix is guided by Bayesian conditional probability, considering the joint distribution of the downstream labels and the labels predicted by the pretrained model on downstream samples. Experiments conducted on both pretrained vision models (e.g., ResNeXt) and vision-language models (e.g., CLIP) demonstrate the superior performance of BLM over existing label mapping methods. The success of BLM also offers a probabilistic lens through which to understand and analyze the effectiveness of VR.Our code is available at https://github.com/tmlr-group/BayesianLM.
Probabilistic Methods
Neural network sparsification is a promising avenue to save computational time and memory costs, especially in an age where many successful AI models are becoming too large to naively deploy on consumer hardware. While much work has focused on different weight pruning criteria, the overall sparsifiability of the network, i.e., its capacity to be pruned without quality loss, has often been overlooked. We present Sparsifiability via the Marginal likelihood (SpaM), a sparsification framework that highlights the effectiveness of using the Bayesian marginal likelihood in conjunction with sparsity-inducing priors for making neural networks more sparsifiable. Our approach implements an automatic Occam's razor that selects the most sparsifiable model that still explains the data well, both for structured and unstructured sparsification. In addition, we demonstrate that the pre-computed posterior precision from the Laplace approximation can be re-used to define a cheap pruning criterion, which outperforms many existing (more expensive) approaches. We demonstrate the effectiveness of our framework, especially at high sparsity levels, across a range of different neural network architectures and datasets.
Causality
While most ML models expect independent and identically distributed data, this assumption is often violated in real-world scenarios due to distribution shifts, resulting in the degradation of machine learning model performance. Until now, no tabular method has consistently outperformed classical supervised learning, which ignores these shifts. To address temporal distribution shifts, we present Drift-Resilient TabPFN, a fresh approach based on In-Context Learning with a Prior-Data Fitted Network that learns the learning algorithm itself: it accepts the entire training dataset as input and makes predictions on the test set in a single forward pass. Specifically, it learns to approximate Bayesian inference on synthetic datasets drawn from a prior that specifies the model's inductive bias. This prior is based on structural causal models (SCM), which gradually shift over time. To model shifts of these causal models, we use a secondary SCM, that specifies changes in the primary model parameters. The resulting Drift-Resilient TabPFN can be applied to unseen data, runs in seconds on small to moderately sized datasets and needs no hyperparameter tuning. Comprehensive evaluations across 18 synthetic and real-world datasets demonstrate large performance improvements over a wide range of baselines, such as XGB, CatBoost, TabPFN, and applicable methods featured in the Wild-Time benchmark. Compared to the strongest baselines, it improves accuracy from 0.688 to 0.744 and ROC AUC from 0.786 to 0.832 while maintaining stronger calibration. This approach could serve as significant groundwork for further research on out-of-distribution prediction.
Probabilistic Methods · Bayesian Models and Methods
Bayesian reasoning in linear mixed-effects models (LMMs) is challenging and often requires advanced sampling techniques like Markov chain Monte Carlo (MCMC).A common approach is to write the model in a probabilistic programming language and then sample via Hamiltonian Monte Carlo (HMC).However, there are many ways a user can transform a model that make inference more or less efficient.In particular, marginalizing some variables can greatly improve inference but is difficult for users to do manually.We develop an algorithm to easily marginalize random effects in LMMs.A naive approach introduces cubic time operations within an inference algorithm like HMC, but we reduce the running time to linear using fast linear algebra techniques.We show that marginalization is always beneficial when applicable and highlight improvements in various models, especially ones from cognitive sciences.
Theory · Domain Adaptation and Transfer Learning
Recent methods are proposed to improve performance of domain adaptation by inferring domain index under an adversarial variational bayesian framework, where domain index is unavailable. However, existing methods typically assume that the global domain indices are sampled from a vanilla gaussian prior, overlooking the inherent structures among different domains.To address this challenge, we propose a Bayesian Domain Adaptation with Gaussian Mixture Domain-Indexing(GMDI) algorithm. GMDI employs a Gaussian Mixture Model for domain indices, with the number of component distributions in the "domain-themes'' space adaptively determined by a Chinese Restaurant Process. By dynamically adjusting the mixtures at the domain indices level, GMDI significantly improves domain adaptation performance. Our theoretical analysis demonstrates that GMDI achieves a more stringent evidence lower bound, closer to the log-likelihood. For classification, GMDI outperforms all approaches, and surpasses the state-of-the-art method, VDI, by up to 3.4%, reaching 99.3%. For regression, GMDI reduces MSE by up to 21% (from 3.160 to 2.493), achieving the lowest errors among all methods.
Human-computer interaction
In human-AI collaborative tasks, the distribution of human behavior, influenced by mental models, is non-stationary, manifesting in various levels of initiative and different collaborative strategies. A significant challenge in human-AI collaboration is determining how to collaborate effectively with humans exhibiting non-stationary dynamics. Current collaborative agents involve initially running self-play (SP) multiple times to build a policy pool, followed by training the final adaptive policy against this pool. These agents themselves are a single policy network, which is $\textbf{insufficient for handling non-stationary human dynamics}$. We discern that despite the inherent diversity in human behaviors, the $\textbf{underlying meta-tasks within specific collaborative contexts tend to be strikingly similar}$. Accordingly, we propose $\textbf{C}$ollaborative $\textbf{B}$ayesian $\textbf{P}$olicy $\textbf{R}$euse ($\textbf{CBPR}$), a novel Bayesian-based framework that $\textbf{adaptively selects optimal collaborative policies matching the current meta-task from multiple policy networks}$ instead of just selecting actions relying on a single policy network. We provide theoretical guarantees for CBPR's rapid convergence to the optimal policy once human partners alter their policies. This framework shifts from directly modeling human behavior to identifying various meta-tasks that support human decision-making and training meta-task playing (MTP) agents tailored to enhance collaboration. Our method undergoes rigorous testing in a well-recognized collaborative cooking simulator, $\textit{Overcooked}$. Both empirical results and user studies demonstrate CBPR's superior competitiveness compared to existing baselines.
Reinforcement Learning · Deep RL
Deep reinforcement learning (RL) is a powerful approach to complex decision-making. However, one issue that limits its practical application is its brittleness, sometimes failing to train in the presence of small changes in the environment. Motivated by the success of zero-shot transfer—where pre-trained models perform well on related tasks—we consider the problem of selecting a good set of training tasks to maximize generalization performance across a range of tasks. Given the high cost of training, it is critical to select training tasks strategically, but not well understood how to do so. We hence introduce Model-Based Transfer Learning (MBTL), which layers on top of existing RL methods to effectively solve contextual RL problems. MBTL models the generalization performance in two parts: 1) the performance set point, modeled using Gaussian processes, and 2) performance loss (generalization gap), modeled as a linear function of contextual similarity. MBTL combines these two pieces of information within a Bayesian optimization (BO) framework to strategically select training tasks. We show theoretically that the method exhibits sublinear regret in the number of training tasks and discuss conditions to further tighten regret bounds. We experimentally validate our methods using urban traffic and standard continuous control benchmarks. The experimental results suggest that MBTL can achieve up to 43x improved sample efficiency compared with canonical independent training and multi-task training. Further experiments demonstrate the efficacy of BO and the insensitivity to the underlying RL algorithm and hyperparameters. This work lays the foundations for investigating explicit modeling of generalization, thereby enabling principled yet effective methods for contextual RL. Code is available at https://github.com/jhoon-cho/MBTL/.
Human-computer interaction
Machine learning systems are widely used in many high-stakes contexts in which experimental designs for assigning treatments are infeasible. When evaluating decisions is costly, such as investigating fraud cases, or evaluating biopsy decisions, a sample-efficient strategy is needed. However, while existing active learning methods assume humans will always label the instances selected by the machine learning model, in many critical applications, humans may decline to label instances selected by the machine learning model due to reasons such as regulation constraint, domain knowledge, or algorithmic aversion, thus not sample efficient. In this paper, we study the Active Learning with Instance Rejection (ALIR) problem, which considers the human discretion behavior for high-stakes decision making problems. We propose new active learning algorithms under deep bayesian active learning for selective labeling (SEL-BALD) to address the ALIR problem. Our algorithms consider how to acquire information for both the machine learning model and the human discretion model. We conduct experiments on both synthetic and real-world datasets to demonstrate the effectiveness of our proposed algorithms.
Generative Models
We study the geometry of conditional optimal transport (COT) and prove a dynamic formulation which generalizes the Benamou-Brenier Theorem. Equipped with these tools, we propose a simulation-free flow-based method for conditional generative modeling. Our method couples an arbitrary source distribution to a specified target distribution through a triangular COT plan, and a conditional generative model is obtained by approximating the geodesic path of measures induced by this COT plan. Our theory and methods are applicable in infinite-dimensional settings, making them well suited for a wide class of Bayesian inverse problems. Empirically, we demonstrate that our method is competitive on several challenging conditional generation tasks, including an infinite-dimensional inverse problem.
Graph Neural Networks
Enhancing node-level Out-Of-Distribution (OOD) generalization on graphs remains a crucial area. In this paper, we develop a Structural Causal Model (SCM) to theoretically dissect the performance of two prominent invariant learning methods--Invariant Risk Minimization (IRM) and Variance-Risk Extrapolation (VREx)--in node-level OOD settings. Our analysis reveals a critical limitation: these methods may struggle to identify invariant features due to the complexities introduced by the message-passing mechanism, which can obscure causal features within a range of neighboring samples. To address this, we propose Cross-environment Intra-class Alignment (CIA), which explicitly eliminates spurious features by aligning representations within the same class, bypassing the need for explicit knowledge of underlying causal patterns. To adapt CIA to node-level OOD scenarios where environment labels are hard to obtain, we further propose CIA-LRA (Localized Reweighting Alignment) that leverages the distribution of neighboring labels to selectively align node representations, effectively distinguishing and preserving invariant features while removing spurious ones, all without relying on environment labels. We theoretically prove CIA-LRA's effectiveness by deriving an OOD generalization error bound based on PAC-Bayesian analysis. Experiments on graph OOD benchmarks validate the superiority of CIA and CIA-LRA, marking a significant advancement in node-level OOD generalization.
Probabilistic Methods · Bayesian Models and Methods
Many critical decisions, such as personalized medical diagnoses and product pricing, are made based on insights gained from designing, observing, and analyzing a series of experiments. This highlights the crucial role of experimental design, which goes beyond merely collecting information on system parameters as in traditional Bayesian experimental design (BED), but also plays a key part in facilitating downstream decision-making. Most recent BED methods use an amortized policy network to rapidly design experiments. However, the information gathered through these methods is suboptimal for down-the-line decision-making, as the experiments are not inherently designed with downstream objectives in mind. In this paper, we present an amortized decision-aware BED framework that prioritizes maximizing downstream decision utility. We introduce a novel architecture, the Transformer Neural Decision Process (TNDP), capable of instantly proposing the next experimental design, whilst inferring the downstream decision, thus effectively amortizing both tasks within a unified workflow. We demonstrate the performance of our method across several tasks, showing that it can deliver informative designs and facilitate accurate decision-making.
Statistical Methods
This paper advances temporal reasoning within dynamically changing high-dimensional noisy observations, focusing on a latent space that characterizes the nonlinear dynamics of objects in their environment. We introduce the *Gated Inference Network* (GIN), an efficient approximate Bayesian inference algorithm for state space models (SSMs) with nonlinear state transitions and emissions. GIN disentangles two latent representations: one representing the object derived from a nonlinear mapping model, and another representing the latent state describing its dynamics. This disentanglement enables direct state estimation and missing data imputation as the world evolves. To infer the latent state, we utilize a deep extended Kalman filter (EKF) approach that integrates a novel compact RNN structure to compute both the Kalman Gain (KG) and smoothing gain (SG), completing the data flow. This design results in a computational cost per step that is linearly faster than EKF but introduces issues such as the exploding gradient problem. To mitigate the exploding gradients caused by the compact RNN structure in our model, we propose a specialized learning method that ensures stable training and inference. The model is then trained end-to-end on videos depicting a diverse range of simulated and real-world physical systems, and outperforms its ounterparts —RNNs, autoregressive models, and variational approaches— in state estimation and missing data imputation tasks.
Symmetries have proven useful in machine learning models, improving generalisation and overall performance. At the same time, recent advancements in learning dynamical systems rely on modelling the underlying Hamiltonian to guarantee the conservation of energy.These approaches can be connected via a seminal result in mathematical physics: Noether's theorem, which states that symmetries in a dynamical system correspond to conserved quantities.This work uses Noether's theorem to parameterise symmetries as learnable conserved quantities. We then allow conserved quantities and associated symmetries to be learned directly from train data through approximate Bayesian model selection, jointly with the regular training procedure. As training objective, we derive a variational lower bound to the marginal likelihood. The objective automatically embodies an Occam's Razor effect that avoids collapse of conversation laws to the trivial constant, without the need to manually add and tune additional regularisers. We demonstrate a proof-of-principle on n-harmonic oscillators and n-body systems. We find that our method correctly identifies the correct conserved quantities and U(n) and SE(n) symmetry groups, improving overall performance and predictive accuracy on test data.