In-Context Linear Regression Demystified: Training Dynamics and Mechanistic Interpretability of Multi-Head Softmax Attention

We study how multi-head softmax attention models are trained to perform in-context learning on linear data. Through extensive empirical experiments and rigorous theoretical analysis, we demystify the emergence of elegant attention patterns: a diagonal and homogeneous pattern in the key-query (KQ) weights, and a last-entry-only and zero-sum pattern in the output-value (OV) weights. Remarkably, these patterns consistently appear from gradient-based training starting from random initialization. Our analysis reveals that such emergent structures enable multi-head attention to approximately implement a debiased gradient descent predictor -- one that outperforms single-head attention and nearly achieves Bayesian optimality up to proportional factor. Furthermore, compared to linear transformers, the softmax attention readily generalizes to sequences longer than those seen during training. We also extend our study to scenarios with non-isotropic covariates and multi-task linear regression. In the former, multi-head attention learns to implement a form of pre-conditioned gradient descent. In the latter, we uncover an intriguing regime where the interplay between head number and task number triggers a superposition phenomenon that efficiently resolves multi-task in-context learning. Our results reveal that in-context learning ability emerges from the trained transformer as an aggregated effect of its architecture and the underlying data distribution, paving the way for deeper understanding and broader applications of in-context learning.

Nash Equilibrium Constrained Auto-bidding With Bi-level Reinforcement Learning

Many online advertising platforms provide advertisers with auto-bidding services to enhance their advertising performance. However, most existing auto-bidding algorithms fail to accurately capture the auto-bidding problem formulation that the platform truly faces, let alone solve it. Actually, we argue that the platform should try to help optimize each advertiser's performance to the greatest extent -- which makes $\epsilon$-Nash Equilibrium ($\epsilon$-NE) a necessary solution concept -- while maximizing the social welfare of all the advertisers for the platform's long-term value. Based on this, we introduce the \emph{Nash-Equilibrium Constrained Bidding} (NCB), a new formulation of the auto-bidding problem from the platform's perspective. Specifically, it aims to maximize the social welfare of all advertisers under the $\epsilon$-NE constraint. However, the NCB problem presents significant challenges due to its constrained bi-level structure and the typically large number of advertisers involved. To address these challenges, we propose a \emph{Bi-level Policy Gradient} (BPG) framework with theoretical guarantees. Notably, its computational complexity is independent of the number of advertisers, and the associated gradients are straightforward to compute. Extensive simulated and real-world experiments validate the effectiveness of the BPG framework.

Reflective Planning: Vision-Language Models for Multi-Stage Long-Horizon Robotic Manipulation

Solving complex long-horizon robotic manipulation problems requires sophisticated high-level planning capabilities, the ability to reason about the physical world, and reactively choose appropriate motor skills. Vision-language models (VLMs) pretrained on Internet data could in principle offer a framework for tackling such problems. However, in their current form, VLMs lack both the nuanced understanding of intricate physics required for robotic manipulation and the ability to reason over long horizons to address error compounding issues. In this paper, we introduce a novel test-time computation framework that enhances VLMs' physical reasoning capabilities for multi-stage manipulation tasks. At its core, our approach iteratively improves a pretrained VLM with a "reflection" mechanism - it uses a generative model to imagine future world states, leverages these predictions to guide action selection, and critically reflects on potential suboptimalities to refine its reasoning. Experimental results demonstrate that our method significantly outperforms several state-of-the-art commercial VLMs as well as other post-training approaches such as Monte Carlo Tree Search (MCTS). Videos are available at https://reflect-vlm.github.io.

DrugImproverGPT: A Large Language Model for Drug Optimization with Fine-Tuning via Structured Policy Optimization

Finetuning a Large Language Model (LLM) is crucial for generating results towards specific objectives. This research delves into the realm of drug optimization and introduce a novel reinforcement learning algorithm to finetune a drug optimization LLM-based generative model, enhancing the original drug across target objectives, while retains the beneficial chemical properties of the original drug. This work is comprised of two primary components: (1) DrugImprover: A framework tailored for improving robustness and efficiency in drug optimization. It includes a LLM designed for drug optimization and a novel Structured Policy Optimization (SPO) algorithm, which is theoretically grounded. This algorithm offers a unique perspective for fine-tuning the LLM-based generative model by aligning the improvement of the generated molecule with the input molecule under desired objectives. (2) A dataset of 1 million compounds, each with OEDOCK docking scores on 5 human proteins associated with cancer cells and 24 binding sites from SARS-CoV-2 virus. We conduct a comprehensive evaluation of SPO and demonstrate its effectiveness in improving the original drug across target properties. Our code and dataset will be publicly available at: https://github.com/xuefeng-cs/DrugImproverGPT.

Active Advantage-Aligned Online Reinforcement Learning with Offline Data

Online reinforcement learning (RL) enhances policies through direct interactions with the environment, but faces challenges related to sample efficiency. In contrast, offline RL leverages extensive pre-collected data to learn policies, but often produces suboptimal results due to limited data coverage. Recent efforts have sought to integrate offline and online RL in order to harness the advantages of both approaches. However, effectively combining online and offline RL remains challenging due to issues that include catastrophic forgetting, lack of robustness and sample efficiency. In an effort to address these challenges, we introduce A3 RL , a novel method that actively selects data from combined online and offline sources to optimize policy improvement. We provide theoretical guarantee that validates the effectiveness our active sampling strategy and conduct thorough empirical experiments showing that our method outperforms existing state-of-the-art online RL techniques that utilize offline data. Our code will be publicly available at: https://github.com/xuefeng-cs/A3RL.

Learning Task Representations from In-Context Learning

Large language models (LLMs) have demonstrated remarkable proficiency in in-context learning (ICL), where models adapt to new tasks through example-based prompts without requiring parameter updates. However, understanding how tasks are internally encoded and generalized remains a challenge. To address some of the empirical and technical gaps in the literature, we introduce an automated formulation for encoding task information in ICL prompts as a function of attention heads within the transformer architecture. This approach computes a single task vector as a weighted sum of attention heads, with the weights optimized causally via gradient descent. Our findings show that existing methods fail to generalize effectively to modalities beyond text. In response, we also design a benchmark to evaluate whether a task vector can preserve task fidelity in functional regression tasks. The proposed method successfully extracts task-specific information from in-context demonstrations and excels in both text and regression tasks, demonstrating its generalizability across modalities. Moreover, ablation studies show that our method's effectiveness stems from aligning the distribution of the last hidden state with that of an optimally performing in-context-learned model.

An Instrumental Value for Data Production and its Application to Data Pricing

How much value does a dataset or a data production process have to an agent who wishes to use the data to assist decision-making? This is a fundamental question towards understanding the value of data as well as further pricing of data. This paper develops an approach for capturing the instrumental value of data production processes, which takes two key factors into account: (a) the context of the agent's decision-making problem; (b) prior data or information the agent already possesses. We ''micro-found'' our valuation concepts by showing how they connect to classic notions of information design and signals in information economics. When instantiated in the domain of Bayesian linear regression, our value naturally corresponds to information gain. Based on our designed data value, we then study a basic monopoly pricing setting with a buyer looking to purchase from a seller some labeled data of a certain feature direction in order to improve a Bayesian regression model. We show that when the seller has the ability to fully customize any data request, she can extract the first-best revenue (i.e., full surplus) from any population of buyers, i.e., achieving first-degree price discrimination. If the seller can only sell data that are derived from an existing data pool, this limits her ability to customize, and achieving first-best revenue becomes generally impossible. However, we design a mechanism that achieves seller revenue at most $\log (\kappa)$ less than the first-best revenue, where $\kappa$ is the condition number associated with the data matrix. A corollary of this result is that the seller can extract the first-best revenue in the multi-armed bandits special case.

Enhancing Multi-Text Long Video Generation Consistency without Tuning: Time-Frequency Analysis, Prompt Alignment, and Theory

Despite the considerable progress achieved in the long video generation problem, there is still significant room to improve the consistency of the videos, particularly in terms of smoothness and transitions between scenes. We address these issues to enhance the consistency and coherence of videos generated with either single or multiple prompts. We propose the Time-frequency based temporal Attention Reweighting Algorithm (TiARA), which meticulously edits the attention score matrix based on the Discrete Short-Time Fourier Transform. Our method is supported by a theoretical guarantee, the first-of-its-kind for frequency-based methods in diffusion models. For videos generated by multiple prompts, we further investigate key factors affecting prompt interpolation quality and propose PromptBlend, an advanced prompt interpolation pipeline. The efficacy of our proposed method is validated via extensive experimental results, exhibiting consistent and impressive improvements over baseline methods. The code will be released upon acceptance.

Physical Informed Driving World Model

Autonomous driving requires robust perception models trained on high-quality, large-scale multi-view driving videos for tasks like 3D object detection, segmentation and trajectory prediction. While world models provide a cost-effective solution for generating realistic driving videos, challenges remain in ensuring these videos adhere to fundamental physical principles, such as relative and absolute motion, spatial relationship like occlusion and spatial consistency, and temporal consistency. To address these, we propose DrivePhysica, an innovative model designed to generate realistic multi-view driving videos that accurately adhere to essential physical principles through three key advancements: (1) a Coordinate System Aligner module that integrates relative and absolute motion features to enhance motion interpretation, (2) an Instance Flow Guidance module that ensures precise temporal consistency via efficient 3D flow extraction, and (3) a Box Coordinate Guidance module that improves spatial relationship understanding and accurately resolves occlusion hierarchies. Grounded in physical principles, we achieve state-of-the-art performance in driving video generation quality (3.96 FID and 38.06 FVD on the Nuscenes dataset) and downstream perception tasks. Our project homepage: https://metadrivescape.github.io/papers_project/DrivePhysica/page.html

Pysical Informed Driving World Model

Autonomous driving requires robust perception models trained on high-quality, large-scale multi-view driving videos for tasks like 3D object detection, segmentation and trajectory prediction. While world models provide a cost-effective solution for generating realistic driving videos, challenges remain in ensuring these videos adhere to fundamental physical principles, such as relative and absolute motion, spatial relationship like occlusion and spatial consistency, and temporal consistency. To address these, we propose DrivePhysica, an innovative model designed to generate realistic multi-view driving videos that accurately adhere to essential physical principles through three key advancements: (1) a Coordinate System Aligner module that integrates relative and absolute motion features to enhance motion interpretation, (2) an Instance Flow Guidance module that ensures precise temporal consistency via efficient 3D flow extraction, and (3) a Box Coordinate Guidance module that improves spatial relationship understanding and accurately resolves occlusion hierarchies. Grounded in physical principles, we achieve state-of-the-art performance in driving video generation quality (3.96 FID and 38.06 FVD on the Nuscenes dataset) and downstream perception tasks. Our project homepage: https://metadrivescape.github.io/papers_project/DrivePhysica/page.html