Learning the structure of any Hamiltonian from minimal assumptions

We study the problem of learning an unknown quantum many-body Hamiltonian $H$ from black-box queries to its time evolution $e^{-\mathrm{i} H t}$. Prior proposals for solving this task either impose some assumptions on $H$, such as its interaction structure or locality, or otherwise use an exponential amount of computational postprocessing. In this paper, we present efficient algorithms to learn any $n$-qubit Hamiltonian, assuming only a bound on the number of Hamiltonian terms, $m \leq \mathrm{poly}(n)$. Our algorithms do not need to know the terms in advance, nor are they restricted to local interactions. We consider two models of control over the time evolution: the first has access to time reversal ($t < 0$), enabling an algorithm that outputs an $\epsilon$-accurate classical description of $H$ after querying its dynamics for a total of $\widetilde{O}(m/\epsilon)$ evolution time. The second access model is more conventional, allowing only forward-time evolutions; our algorithm requires $\widetilde{O}(\|H\|^3/\epsilon^4)$ evolution time in this setting. Central to our results is the recently introduced concept of a pseudo-Choi state of $H$. We extend the utility of this learning resource by showing how to use it to learn the Fourier spectrum of $H$, how to achieve nearly Heisenberg-limited scaling with it, and how to prepare it even under our more restricted access models.

LLM-based Optimization of Compound AI Systems: A Survey

In a compound AI system, components such as an LLM call, a retriever, a code interpreter, or tools are interconnected. The system's behavior is primarily driven by parameters such as instructions or tool definitions. Recent advancements enable end-to-end optimization of these parameters using an LLM. Notably, leveraging an LLM as an optimizer is particularly efficient because it avoids gradient computation and can generate complex code and instructions. This paper presents a survey of the principles and emerging trends in LLM-based optimization of compound AI systems. It covers archetypes of compound AI systems, approaches to LLM-based end-to-end optimization, and insights into future directions and broader impacts. Importantly, this survey uses concepts from program analysis to provide a unified view of how an LLM optimizer is prompted to optimize a compound AI system. The exhaustive list of paper is provided at https://github.com/linyuhongg/LLM-based-Optimization-of-Compound-AI-Systems.

Model Surgery: Modulating LLM's Behavior Via Simple Parameter Editing

Large Language Models (LLMs) have demonstrated great potential as generalist assistants, showcasing powerful task understanding and problem-solving capabilities. To deploy LLMs as AI assistants, it is crucial that these models exhibit desirable behavioral traits, such as non-toxicity and resilience against jailbreak attempts. Current methods for detoxification or preventing jailbreaking usually involve Supervised Fine-Tuning (SFT) or Reinforcement Learning from Human Feedback (RLHF), which requires finetuning billions of parameters through gradient descent with substantial computation cost. Furthermore, models modified through SFT and RLHF may deviate from the pretrained models, potentially leading to a degradation in foundational LLM capabilities. In this paper, we observe that surprisingly, directly editing a small subset of parameters can effectively modulate specific behaviors of LLMs, such as detoxification and resistance to jailbreaking. Specifically, for a behavior that we aim to avoid, we employ a linear classifier, which we term the behavior probe, to classify binary behavior labels within the hidden state space of the LLM. Using this probe, we introduce an algorithm to identify a critical subset of LLM parameters that significantly influence this targeted behavior. Then we directly edit these selected parameters by shifting them towards the behavior probe. Such a direct parameter editing method necessitates only inference-level computational resources. Experiments demonstrate that in the representative detoxification task, our approach achieves reductions of up to 90.0\% in toxicity on the RealToxicityPrompts dataset and 49.2\% on ToxiGen, while maintaining the LLM's general capabilities in areas such as common sense, question answering, and mathematics. Our code is available at https://github.com/lucywang720/model-surgery.

Empowering Interdisciplinary Insights with Dynamic Graph Embedding Trajectories

We developed DyGETViz, a novel framework for effectively visualizing dynamic graphs (DGs) that are ubiquitous across diverse real-world systems. This framework leverages recent advancements in discrete-time dynamic graph (DTDG) models to adeptly handle the temporal dynamics inherent in dynamic graphs. DyGETViz effectively captures both micro- and macro-level structural shifts within these graphs, offering a robust method for representing complex and massive dynamic graphs. The application of DyGETViz extends to a diverse array of domains, including ethology, epidemiology, finance, genetics, linguistics, communication studies, social studies, and international relations. Through its implementation, DyGETViz has revealed or confirmed various critical insights. These include the diversity of content sharing patterns and the degree of specialization within online communities, the chronological evolution of lexicons across decades, and the distinct trajectories exhibited by aging-related and non-related genes. Importantly, DyGETViz enhances the accessibility of scientific findings to non-domain experts by simplifying the complexities of dynamic graphs. Our framework is released as an open-source Python package for use across diverse disciplines. Our work not only addresses the ongoing challenges in visualizing and analyzing DTDG models but also establishes a foundational framework for future investigations into dynamic graph representation and analysis across various disciplines.

DiveR-CT: Diversity-enhanced Red Teaming with Relaxing Constraints

Recent advances in large language models (LLMs) have made them indispensable, raising significant concerns over managing their safety. Automated red teaming offers a promising alternative to the labor-intensive and error-prone manual probing for vulnerabilities, providing more consistent and scalable safety evaluations. However, existing approaches often compromise diversity by focusing on maximizing attack success rate. Additionally, methods that decrease the cosine similarity from historical embeddings with semantic diversity rewards lead to novelty stagnation as history grows. To address these issues, we introduce DiveR-CT, which relaxes conventional constraints on the objective and semantic reward, granting greater freedom for the policy to enhance diversity. Our experiments demonstrate DiveR-CT's marked superiority over baselines by 1) generating data that perform better in various diversity metrics across different attack success rate levels, 2) better-enhancing resiliency in blue team models through safety tuning based on collected data, 3) allowing dynamic control of objective weights for reliable and controllable attack success rates, and 4) reducing susceptibility to reward overoptimization. Project details and code can be found at https://andrewzh112.github.io/#diverct.

Exploring Text-to-Motion Generation with Human Preference

This paper presents an exploration of preference learning in text-to-motion generation. We find that current improvements in text-to-motion generation still rely on datasets requiring expert labelers with motion capture systems. Instead, learning from human preference data does not require motion capture systems; a labeler with no expertise simply compares two generated motions. This is particularly efficient because evaluating the model's output is easier than gathering the motion that performs a desired task (e.g. backflip). To pioneer the exploration of this paradigm, we annotate 3,528 preference pairs generated by MotionGPT, marking the first effort to investigate various algorithms for learning from preference data. In particular, our exploration highlights important design choices when using preference data. Additionally, our experimental results show that preference learning has the potential to greatly improve current text-to-motion generative models. Our code and dataset are publicly available at https://github.com/THU-LYJ-Lab/InstructMotion}{https://github.com/THU-LYJ-Lab/InstructMotion to further facilitate research in this area.

Augmenting Unsupervised Reinforcement Learning with Self-Reference

Humans possess the ability to draw on past experiences explicitly when learning new tasks and applying them accordingly. We believe this capacity for self-referencing is especially advantageous for reinforcement learning agents in the unsupervised pretrain-then-finetune setting. During pretraining, an agent's past experiences can be explicitly utilized to mitigate the nonstationarity of intrinsic rewards. In the finetuning phase, referencing historical trajectories prevents the unlearning of valuable exploratory behaviors. Motivated by these benefits, we propose the Self-Reference (SR) approach, an add-on module explicitly designed to leverage historical information and enhance agent performance within the pretrain-finetune paradigm. Our approach achieves state-of-the-art results in terms of Interquartile Mean (IQM) performance and Optimality Gap reduction on the Unsupervised Reinforcement Learning Benchmark for model-free methods, recording an 86% IQM and a 16% Optimality Gap. Additionally, it improves current algorithms by up to 17% IQM and reduces the Optimality Gap by 31%. Beyond performance enhancement, the Self-Reference add-on also increases sample efficiency, a crucial attribute for real-world applications.

Avalon's Game of Thoughts: Battle Against Deception through Recursive Contemplation

Recent breakthroughs in large language models (LLMs) have brought remarkable success in the field of LLM-as-Agent. Nevertheless, a prevalent assumption is that the information processed by LLMs is consistently honest, neglecting the pervasive deceptive or misleading information in human society and AI-generated content. This oversight makes LLMs susceptible to malicious manipulations, potentially resulting in detrimental outcomes. This study utilizes the intricate Avalon game as a testbed to explore LLMs' potential in deceptive environments. Avalon, full of misinformation and requiring sophisticated logic, manifests as a "Game-of-Thoughts". Inspired by the efficacy of humans' recursive thinking and perspective-taking in the Avalon game, we introduce a novel framework, Recursive Contemplation (ReCon), to enhance LLMs' ability to identify and counteract deceptive information. ReCon combines formulation and refinement contemplation processes; formulation contemplation produces initial thoughts and speech, while refinement contemplation further polishes them. Additionally, we incorporate first-order and second-order perspective transitions into these processes respectively. Specifically, the first-order allows an LLM agent to infer others' mental states, and the second-order involves understanding how others perceive the agent's mental state. After integrating ReCon with different LLMs, extensive experiment results from the Avalon game indicate its efficacy in aiding LLMs to discern and maneuver around deceptive information without extra fine-tuning and data. Finally, we offer a possible explanation for the efficacy of ReCon and explore the current limitations of LLMs in terms of safety, reasoning, speaking style, and format, potentially furnishing insights for subsequent research.

ExpeL: LLM Agents Are Experiential Learners

The recent surge in research interest in applying large language models (LLMs) to decision-making tasks has flourished by leveraging the extensive world knowledge embedded in LLMs. While there is a growing demand to tailor LLMs for custom decision-making tasks, finetuning them for specific tasks is resource-intensive and may diminish the model's generalization capabilities. Moreover, state-of-the-art language models like GPT-4 and Claude are primarily accessible through API calls, with their parametric weights remaining proprietary and unavailable to the public. This scenario emphasizes the growing need for new methodologies that allow learning from agent experiences without requiring parametric updates. To address these problems, we introduce the Experiential Learning (ExpeL) agent. Our agent autonomously gathers experiences and extracts knowledge using natural language from a collection of training tasks. At inference, the agent recalls its extracted insights and past experiences to make informed decisions. Our empirical results highlight the robust learning efficacy of the ExpeL agent, indicating a consistent enhancement in its performance as it accumulates experiences. We further explore the emerging capabilities and transfer learning potential of the ExpeL agent through qualitative observations and additional experiments.

A Mixture of Surprises for Unsupervised Reinforcement Learning

Unsupervised reinforcement learning aims at learning a generalist policy in a reward-free manner for fast adaptation to downstream tasks. Most of the existing methods propose to provide an intrinsic reward based on surprise. Maximizing or minimizing surprise drives the agent to either explore or gain control over its environment. However, both strategies rely on a strong assumption: the entropy of the environment's dynamics is either high or low. This assumption may not always hold in real-world scenarios, where the entropy of the environment's dynamics may be unknown. Hence, choosing between the two objectives is a dilemma. We propose a novel yet simple mixture of policies to address this concern, allowing us to optimize an objective that simultaneously maximizes and minimizes the surprise. Concretely, we train one mixture component whose objective is to maximize the surprise and another whose objective is to minimize the surprise. Hence, our method does not make assumptions about the entropy of the environment's dynamics. We call our method a $\textbf{M}\text{ixture }\textbf{O}\text{f }\textbf{S}\text{urprise}\textbf{S}$ (MOSS) for unsupervised reinforcement learning. Experimental results show that our simple method achieves state-of-the-art performance on the URLB benchmark, outperforming previous pure surprise maximization-based objectives. Our code is available at: https://github.com/LeapLabTHU/MOSS.