Reducing Hyperparameter Tuning Costs in ML, Vision and Language Model Training Pipelines via Memoization-Awareness

The training or fine-tuning of machine learning, vision, and language models is often implemented as a pipeline: a sequence of stages encompassing data preparation, model training and evaluation. In this paper, we exploit pipeline structures to reduce the cost of hyperparameter tuning for model training/fine-tuning, which is particularly valuable for language models given their high costs in GPU-days. We propose a "memoization-aware" Bayesian Optimization (BO) algorithm, EEIPU, that works in tandem with a pipeline caching system, allowing it to evaluate significantly more hyperparameter candidates per GPU-day than other tuning algorithms. The result is better-quality hyperparameters in the same amount of search time, or equivalently, reduced search time to reach the same hyperparameter quality. In our benchmarks on machine learning (model ensembles), vision (convolutional architecture) and language (T5 architecture) pipelines, we compare EEIPU against recent BO algorithms: EEIPU produces an average of $103\%$ more hyperparameter candidates (within the same budget), and increases the validation metric by an average of $108\%$ more than other algorithms (where the increase is measured starting from the end of warm-up iterations).

$ψ$DAG: Projected Stochastic Approximation Iteration for DAG Structure Learning

Learning the structure of Directed Acyclic Graphs (DAGs) presents a significant challenge due to the vast combinatorial search space of possible graphs, which scales exponentially with the number of nodes. Recent advancements have redefined this problem as a continuous optimization task by incorporating differentiable acyclicity constraints. These methods commonly rely on algebraic characterizations of DAGs, such as matrix exponentials, to enable the use of gradient-based optimization techniques. Despite these innovations, existing methods often face optimization difficulties due to the highly non-convex nature of DAG constraints and the per-iteration computational complexity. In this work, we present a novel framework for learning DAGs, employing a Stochastic Approximation approach integrated with Stochastic Gradient Descent (SGD)-based optimization techniques. Our framework introduces new projection methods tailored to efficiently enforce DAG constraints, ensuring that the algorithm converges to a feasible local minimum. With its low iteration complexity, the proposed method is well-suited for handling large-scale problems with improved computational efficiency. We demonstrate the effectiveness and scalability of our framework through comprehensive experimental evaluations, which confirm its superior performance across various settings.

Identifying Selections for Unsupervised Subtask Discovery

When solving long-horizon tasks, it is intriguing to decompose the high-level task into subtasks. Decomposing experiences into reusable subtasks can improve data efficiency, accelerate policy generalization, and in general provide promising solutions to multi-task reinforcement learning and imitation learning problems. However, the concept of subtasks is not sufficiently understood and modeled yet, and existing works often overlook the true structure of the data generation process: subtasks are the results of a $\textit{selection}$ mechanism on actions, rather than possible underlying confounders or intermediates. Specifically, we provide a theory to identify, and experiments to verify the existence of selection variables in such data. These selections serve as subgoals that indicate subtasks and guide policy. In light of this idea, we develop a sequential non-negative matrix factorization (seq- NMF) method to learn these subgoals and extract meaningful behavior patterns as subtasks. Our empirical results on a challenging Kitchen environment demonstrate that the learned subtasks effectively enhance the generalization to new tasks in multi-task imitation learning scenarios. The codes are provided at https://anonymous.4open.science/r/Identifying\_Selections\_for\_Unsupervised\_Subtask\_Discovery/README.md.

Revisiting Differentiable Structure Learning: Inconsistency of $\ell_1$ Penalty and Beyond

Recent advances in differentiable structure learning have framed the combinatorial problem of learning directed acyclic graphs as a continuous optimization problem. Various aspects, including data standardization, have been studied to identify factors that influence the empirical performance of these methods. In this work, we investigate critical limitations in differentiable structure learning methods, focusing on settings where the true structure can be identified up to Markov equivalence classes, particularly in the linear Gaussian case. While Ng et al. (2024) highlighted potential non-convexity issues in this setting, we demonstrate and explain why the use of $\ell_1$-penalized likelihood in such cases is fundamentally inconsistent, even if the global optimum of the optimization problem can be found. To resolve this limitation, we develop a hybrid differentiable structure learning method based on $\ell_0$-penalized likelihood with hard acyclicity constraint, where the $\ell_0$ penalty can be approximated by different techniques including Gumbel-Softmax. Specifically, we first estimate the underlying moral graph, and use it to restrict the search space of the optimization problem, which helps alleviate the non-convexity issue. Experimental results show that the proposed method enhances empirical performance both before and after data standardization, providing a more reliable path for future advancements in differentiable structure learning, especially for learning Markov equivalence classes.

Causality for Large Language Models

Recent breakthroughs in artificial intelligence have driven a paradigm shift, where large language models (LLMs) with billions or trillions of parameters are trained on vast datasets, achieving unprecedented success across a series of language tasks. However, despite these successes, LLMs still rely on probabilistic modeling, which often captures spurious correlations rooted in linguistic patterns and social stereotypes, rather than the true causal relationships between entities and events. This limitation renders LLMs vulnerable to issues such as demographic biases, social stereotypes, and LLM hallucinations. These challenges highlight the urgent need to integrate causality into LLMs, moving beyond correlation-driven paradigms to build more reliable and ethically aligned AI systems. While many existing surveys and studies focus on utilizing prompt engineering to activate LLMs for causal knowledge or developing benchmarks to assess their causal reasoning abilities, most of these efforts rely on human intervention to activate pre-trained models. How to embed causality into the training process of LLMs and build more general and intelligent models remains unexplored. Recent research highlights that LLMs function as causal parrots, capable of reciting causal knowledge without truly understanding or applying it. These prompt-based methods are still limited to human interventional improvements. This survey aims to address this gap by exploring how causality can enhance LLMs at every stage of their lifecycle-from token embedding learning and foundation model training to fine-tuning, alignment, inference, and evaluation-paving the way for more interpretable, reliable, and causally-informed models. Additionally, we further outline six promising future directions to advance LLM development, enhance their causal reasoning capabilities, and address the current limitations these models face.

FreqMark: Frequency-Based Watermark for Sentence-Level Detection of LLM-Generated Text

The increasing use of Large Language Models (LLMs) for generating highly coherent and contextually relevant text introduces new risks, including misuse for unethical purposes such as disinformation or academic dishonesty. To address these challenges, we propose FreqMark, a novel watermarking technique that embeds detectable frequency-based watermarks in LLM-generated text during the token sampling process. The method leverages periodic signals to guide token selection, creating a watermark that can be detected with Short-Time Fourier Transform (STFT) analysis. This approach enables accurate identification of LLM-generated content, even in mixed-text scenarios with both human-authored and LLM-generated segments. Our experiments demonstrate the robustness and precision of FreqMark, showing strong detection capabilities against various attack scenarios such as paraphrasing and token substitution. Results show that FreqMark achieves an AUC improvement of up to 0.98, significantly outperforming existing detection methods.

A Skewness-Based Criterion for Addressing Heteroscedastic Noise in Causal Discovery

Real-world data often violates the equal-variance assumption (homoscedasticity), making it essential to account for heteroscedastic noise in causal discovery. In this work, we explore heteroscedastic symmetric noise models (HSNMs), where the effect $Y$ is modeled as $Y = f(X) + \sigma(X)N$, with $X$ as the cause and $N$ as independent noise following a symmetric distribution. We introduce a novel criterion for identifying HSNMs based on the skewness of the score (i.e., the gradient of the log density) of the data distribution. This criterion establishes a computationally tractable measurement that is zero in the causal direction but nonzero in the anticausal direction, enabling the causal direction discovery. We extend this skewness-based criterion to the multivariate setting and propose SkewScore, an algorithm that handles heteroscedastic noise without requiring the extraction of exogenous noise. We also conduct a case study on the robustness of SkewScore in a bivariate model with a latent confounder, providing theoretical insights into its performance. Empirical studies further validate the effectiveness of the proposed method.

Adjusting Pretrained Backbones for Performativity

With the widespread deployment of deep learning models, they influence their environment in various ways. The induced distribution shifts can lead to unexpected performance degradation in deployed models. Existing methods to anticipate performativity typically incorporate information about the deployed model into the feature vector when predicting future outcomes. While enjoying appealing theoretical properties, modifying the input dimension of the prediction task is often not practical. To address this, we propose a novel technique to adjust pretrained backbones for performativity in a modular way, achieving better sample efficiency and enabling the reuse of existing deep learning assets. Focusing on performative label shift, the key idea is to train a shallow adapter module to perform a Bayes-optimal label shift correction to the backbone's logits given a sufficient statistic of the model to be deployed. As such, our framework decouples the construction of input-specific feature embeddings from the mechanism governing performativity. Motivated by dynamic benchmarking as a use-case, we evaluate our approach under adversarial sampling, for vision and language tasks. We show how it leads to smaller loss along the retraining trajectory and enables us to effectively select among candidate models to anticipate performance degradations. More broadly, our work provides a first baseline for addressing performativity in deep learning.

Causal Temporal Representation Learning with Nonstationary Sparse Transition

Causal Temporal Representation Learning (Ctrl) methods aim to identify the temporal causal dynamics of complex nonstationary temporal sequences. Despite the success of existing Ctrl methods, they require either directly observing the domain variables or assuming a Markov prior on them. Such requirements limit the application of these methods in real-world scenarios when we do not have such prior knowledge of the domain variables. To address this problem, this work adopts a sparse transition assumption, aligned with intuitive human understanding, and presents identifiability results from a theoretical perspective. In particular, we explore under what conditions on the significance of the variability of the transitions we can build a model to identify the distribution shifts. Based on the theoretical result, we introduce a novel framework, Causal Temporal Representation Learning with Nonstationary Sparse Transition (CtrlNS), designed to leverage the constraints on transition sparsity and conditional independence to reliably identify both distribution shifts and latent factors. Our experimental evaluations on synthetic and real-world datasets demonstrate significant improvements over existing baselines, highlighting the effectiveness of our approach.

Towards Deconfounded Image-Text Matching with Causal Inference

Prior image-text matching methods have shown remarkable performance on many benchmark datasets, but most of them overlook the bias in the dataset, which exists in intra-modal and inter-modal, and tend to learn the spurious correlations that extremely degrade the generalization ability of the model. Furthermore, these methods often incorporate biased external knowledge from large-scale datasets as prior knowledge into image-text matching model, which is inevitable to force model further learn biased associations. To address above limitations, this paper firstly utilizes Structural Causal Models (SCMs) to illustrate how intra- and inter-modal confounders damage the image-text matching. Then, we employ backdoor adjustment to propose an innovative Deconfounded Causal Inference Network (DCIN) for image-text matching task. DCIN (1) decomposes the intra- and inter-modal confounders and incorporates them into the encoding stage of visual and textual features, effectively eliminating the spurious correlations during image-text matching, and (2) uses causal inference to mitigate biases of external knowledge. Consequently, the model can learn causality instead of spurious correlations caused by dataset bias. Extensive experiments on two well-known benchmark datasets, i.e., Flickr30K and MSCOCO, demonstrate the superiority of our proposed method.