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 Problem Solving


Tangent Space Causal Inference: Leveraging Vector Fields for Causal Discovery in Dynamical Systems

Neural Information Processing Systems

Causal discovery with time series data remains a challenging yet increasingly important task across many scientific domains. Convergent cross mapping (CCM) and related methods have been proposed to study time series that are generated by dynamical systems, where traditional approaches like Granger causality are unreliable. However, CCM often yields inaccurate results depending upon the quality of the data. We propose the Tangent Space Causal Inference (TSCI) method for detecting causalities in dynamical systems. TSCI works by considering vector fields as explicit representations of the systems' dynamics and checks for the degree of synchronization between the learned vector fields. The TSCI approach is model-agnostic and can be used as a drop-in replacement for CCM and its generalizations. We first present a basic version of the TSCI algorithm, which is shown to be more effective than the basic CCM algorithm with very little additional computation.


Deep Bayesian Active Learning for Preference Modeling in Large Language Models

Neural Information Processing Systems

Leveraging human preferences for steering the behavior of Large Language Models (LLMs) has demonstrated notable success in recent years. Nonetheless, data selection and labeling are still a bottleneck for these systems, particularly at large scale. Hence, selecting the most informative points for acquiring human feedback may considerably reduce the cost of preference labeling and unleash the further development of LLMs. Bayesian Active Learning provides a principled framework for addressing this challenge and has demonstrated remarkable success in diverse settings. However, previous attempts to employ it for Preference Modeling did not meet such expectations. In this work, we identify that naive epistemic uncertainty estimation leads to the acquisition of redundant samples. We address this by proposing the Bayesian Active Learner for Preference Modeling (BAL-PM), a novel stochastic acquisition policy that not only targets points of high epistemic uncertainty according to the preference model but also seeks to maximize the entropy of the acquired prompt distribution in the feature space spanned by the employed LLM. Notably, our experiments demonstrate that BAL-PM requires 33\% to 68\% fewer preference labels in two popular human preference datasets and exceeds previous stochastic Bayesian acquisition policies.


Fine-Tuning Large Vision-Language Models as Decision-Making Agents via Reinforcement Learning

Neural Information Processing Systems

Large vision-language models (VLMs) fine-tuned on specialized visual instruction-following data have exhibited impressive language reasoning capabilities across various scenarios. However, this fine-tuning paradigm may not be able to efficiently learn optimal decision-making agents in multi-step goal-directed tasks from interactive environments. To address this challenge, we propose an algorithmic framework that fine-tunes VLMs with reinforcement learning (RL). Specifically, our framework provides a task description and then prompts the VLM to generate chain-of-thought (CoT) reasoning, enabling the VLM to efficiently explore intermediate reasoning steps that lead to the final text-based action. Next, the open-ended text output is parsed into an executable action to interact with the environment to obtain goal-directed task rewards. Finally, our framework uses these task rewards to fine-tune the entire VLM with RL. Empirically, we demonstrate that our proposed framework enhances the decision-making capabilities of VLM agents across various tasks, enabling 7b models to outperform commercial models such as GPT4-V or Gemini. Furthermore, we find that CoT reasoning is a crucial component for performance improvement, as removing the CoT reasoning results in a significant decrease in the overall performance of our method.


Advancing Tool-Augmented Large Language Models: Integrating Insights from Errors in Inference Trees

Neural Information Processing Systems

Tool-augmented large language models (LLMs) leverage tools, often in the form of APIs, to improve their reasoning capabilities on complex tasks. This enables them to act as intelligent agents interacting with the real world. The recently introduced ToolLLaMA model by Qin et al. [2023] utilizes the depth-first search-based decision tree (DFSDT) mechanism for multi-step reasoning with $16000+$ real-world APIs, effectively enhancing the performance of tool-augmented LLMs compared to traditional chain reasoning mechanisms. However, their approach only employs successful paths from decision trees (also called inference trees) for supervised fine-tuning (SFT), missing out on the potential learning opportunities from failed paths. Inspired by this, we propose an inference trajectory optimization framework based on preference learning to address this limitation.


KD-Zero: Evolving Knowledge Distiller for Any Teacher-Student Pairs

Neural Information Processing Systems

Knowledge distillation (KD) has emerged as an effective technique for compressing models that can enhance the lightweight model. Conventional KD methods propose various designs to allow student model to imitate the teacher better. However, these handcrafted KD designs heavily rely on expert knowledge and may be sub-optimal for various teacher-student pairs. In this paper, we present a novel framework, KD-Zero, which utilizes evolutionary search to automatically discover promising distiller from scratch for any teacher-student architectures.


Optimized Feature Generation for Tabular Data via LLMs with Decision Tree Reasoning

Neural Information Processing Systems

In tabular prediction tasks, tree-based models combined with automated feature engineering methods often outperform deep learning approaches that rely on learned representations. While these feature engineering techniques are effective, they typically depend on a pre-defined search space and primarily use validation scores for feature selection, thereby missing valuable insights from previous experiments.To address these limitations, we propose a novel tabular learning framework that utilizes large language models (LLMs), termed Optimizing Column feature generator with decision Tree reasoning (OCTree). Our key idea is to leverage the reasoning capabilities of LLMs to identify effective feature generation rules without manually specifying the search space and provide language-based reasoning information highlighting past experiments as feedback for iterative rule improvements. We use decision trees to convey this reasoning information, as they can be easily represented in natural language, effectively providing knowledge from prior experiments (i.e., the impact of the generated features on performance) to the LLMs. Our empirical results demonstrate that OCTree consistently enhances the performance of various prediction models across diverse benchmarks, outperforming competing automated feature engineering methods.


EDGI: Equivariant Diffusion for Planning with Embodied Agents

Neural Information Processing Systems

Embodied agents operate in a structured world, often solving tasks with spatial, temporal, and permutation symmetries. Most algorithms for planning and model-based reinforcement learning (MBRL) do not take this rich geometric structure into account, leading to sample inefficiency and poor generalization. We introduce the Equivariant Diffuser for Generating Interactions (EDGI), an algorithm for MBRL and planning that is equivariant with respect to the product of the spatial symmetry group SE(3), the discrete-time translation group ℤ, and the object permutation group Sₙ. EDGI follows the Diffuser framework by Janner et al. (2022) in treating both learning a world model and planning in it as a conditional generative modeling problem, training a diffusion model on an offline trajectory dataset. We introduce a new SE(3) ℤ Sₙ-equivariant diffusion model that supports multiple representations. We integrate this model in a planning loop, where conditioning and classifier guidance let us softly break the symmetry for specific tasks as needed. On object manipulation and navigation tasks, EDGI is substantially more sample efficient and generalizes better across the symmetry group than non-equivariant models.


AutoPSV: Automated Process-Supervised Verifier

Neural Information Processing Systems

This verification model assigns a confidence score to each reasoning step, indicating the probability of arriving at the correct final answer from that point onward.We detect relative changes in the verification's confidence scores across reasoning steps to automatically annotate the reasoning process, enabling error detection even in scenarios where ground truth answers are unavailable. This alleviates the need for numerous manual annotations or the high computational costs associated with model-induced annotation approaches.We experimentally validate that the step-level confidence changes learned by the verification model trained on the final answer correctness can effectively identify errors in the reasoning steps.We demonstrate that the verification model, when trained on process annotations generated by \textsc{AutoPSV}, exhibits improved performance in selecting correct answers from multiple LLM-generated outputs.Notably, we achieve substantial improvements across five datasets in mathematics and commonsense reasoning.


DiReCT: Diagnostic Reasoning for Clinical Notes via Large Language Models

Neural Information Processing Systems

Large language models (LLMs) have recently showcased remarkable capabilities, spanning a wide range of tasks and applications, including those in the medical domain. Models like GPT-4 excel in medical question answering but may face challenges in the lack of interpretability when handling complex tasks in real clinical settings. We thus introduce the diagnostic reasoning dataset for clinical notes (DiReCT), aiming at evaluating the reasoning ability and interpretability of LLMs compared to human doctors. It contains 511 clinical notes, each meticulously annotated by physicians, detailing the diagnostic reasoning process from observations in a clinical note to the final diagnosis. Additionally, a diagnostic knowledge graph is provided to offer essential knowledge for reasoning, which may not be covered in the training data of existing LLMs. Evaluations of leading LLMs on DiReCT bring out a significant gap between their reasoning ability and that of human doctors, highlighting the critical need for models that can reason effectively in real-world clinical scenarios.


Fair and Welfare-Efficient Constrained Multi-Matchings under Uncertainty

Neural Information Processing Systems

We study fair allocation of constrained resources, where a market designer optimizes overall welfare while maintaining group fairness. In many large-scale settings, utilities are not known in advance, but are instead observed after realizing the allocation. We therefore estimate agent utilities using machine learning. Optimizing over estimates requires trading-off between mean utilities and their predictive variances. We discuss these trade-offs under two paradigms for preference modeling - in the stochastic optimization regime, the market designer has access to a probability distribution over utilities, and in the robust optimization regime they have access to an uncertainty set containing the true utilities with high probability. We discuss utilitarian and egalitarian welfare objectives, and we explore how to optimize for them under stochastic and robust paradigms. We demonstrate the efficacy of our approaches on three publicly available conference reviewer assignment datasets. The approaches presented enable scalable constrained resource allocation under uncertainty for many combinations of objectives and preference models.