arXiv subjects

Ching-An Cheng

Publications and source records attributed to Ching-An Cheng.

At least 19 recordsLinked to original sources

arXiv2026

RosettaSearch: Multi-Objective Inference-Time Search for Protein Sequence Design

We introduce RosettaSearch, an inference-time multi-objective optimization approach for backbone conditioned protein sequence design. We use large language models (LLMs) as a generative optimizer within a search algorithm capable of controlled exploration and exploitation, using rewards computed from RosettaFold3, a structure prediction model, under a strict computational budget. In a large-scale evaluation, we apply RosettaSearch to 400 suboptimal sequences generated by LigandMPNN (a state-of-the-art model trained for protein sequence design), recovering high-fidelity designs that LigandMPNN's single-pass decoding fails to produce. RosettaSearch's designs show improvements in structural fidelity metrics ranging between 18% to 68%, translating to a 2.5x improvement in design success rate. We observe that these gains in success rate are robust when RosettaSearch-designed sequences are evaluated with an independent structure prediction oracle (Chai-1) and generalize across two distinct LLM families (o4-mini and Gemini-3), with performance scaling consistently with reasoning capability. We further demonstrate that RosettaSearch improves the sequence fidelity of ProteinMPNN designs for de novo backbones from the Dayhoff atlas, showing that the approach generalizes beyond native protein structures to computationally generated backbones. We also demonstrate a multi-modal extension of RosettaSearch with vision-language models, where images of predicted protein structures are used as feedback to incorporate structural context to guide protein sequence generation. To our knowledge, this is the first large-scale demonstration that LLMs can serve as effective generative optimizers for backbone-conditioned protein sequence design, yielding systematic gains without any model retraining.

cs.LG↗

arXiv2026

Understanding the Challenges in Iterative Generative Optimization with LLMs

Generative optimization uses large language models (LLMs) to iteratively improve artifacts (such as code, workflows or prompts) using execution feedback. It is a promising approach to building self-improving agents, yet in practice remains brittle: despite active research, only 9% of surveyed agents used any automated optimization. We argue that this brittleness arises because, to set up a learning loop, an engineer must make ``hidden'' design choices: What can the optimizer edit and what is the "right" learning evidence to provide at each update? We investigate three factors that affect most applications: the starting artifact, the credit horizon for execution traces, and batching trials and errors into learning evidence. Through case studies in MLAgentBench, Atari, and BigBench Extra Hard, we find that these design decisions can determine whether generative optimization succeeds, yet they are rarely made explicit in prior work. Different starting artifacts determine which solutions are reachable in MLAgentBench, truncated traces can still improve Atari agents, and larger minibatches do not monotonically improve generalization on BBEH. We conclude that the lack of a simple, universal way to set up learning loops across domains is a major hurdle for productionization and adoption. We provide practical guidance for making these choices.

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arXiv2026

POLCA: Stochastic Generative Optimization with LLM

Optimizing complex systems, ranging from LLM prompts to multi-turn agents, traditionally requires labor-intensive manual iteration. We formalize this challenge as a stochastic generative optimization problem where a generative language model acts as the optimizer, guided by numerical rewards and text feedback to discover the best system. We introduce Prioritized Optimization with Local Contextual Aggregation (POLCA), a scalable framework designed to handle stochasticity in optimization -- such as noisy feedback, sampling minibatches, and stochastic system behaviors -- while effectively managing the unconstrained expansion of solution space. POLCA maintains a priority queue to manage the exploration-exploitation tradeoff, systematically tracking candidate solutions and their evaluation histories. To enhance efficiency, we integrate an $\varepsilon$-Net mechanism to maintain parameter diversity and an LLM Summarizer to perform meta-learning across historical trials. We theoretically prove that POLCA converges to near-optimal candidate solutions under stochasticity. We evaluate our framework on diverse benchmarks, including $\tau$-bench, HotpotQA (agent optimization), VeriBench (code translation) and KernelBench (CUDA kernel generation). Experimental results demonstrate that POLCA achieves robust, sample and time-efficient performance, consistently outperforming state-of-the-art algorithms in both deterministic and stochastic problems. The codebase for this work is publicly available at https://github.com/rlx-lab/POLCA.

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arXiv2025

Formalizing Learning from Language Feedback with Provable Guarantees

Interactively learning from observation and language feedback is an increasingly studied area driven by the emergence of large language model (LLM) agents. Despite impressive empirical demonstrations, so far a principled framing of these decision problems remains lacking. We formalize the Learning from Language Feedback (LLF) problem, assert sufficient assumptions to enable learning despite latent rewards, and introduce $\textit{transfer eluder dimension}$ as a measure to characterize the hardness of LLF. We formalize the intuition that information in the language feedback governs the learning complexity, and demonstrate cases where learning from rich language feedback can be exponentially faster than learning from reward. We develop a no-regret algorithm, called $\texttt{HELiX}$, that provably solves LLF problems through sequential interactions, with performance guarantees that scale with the transfer eluder dimension. Across several empirical domains, we show that $\texttt{HELiX}$ performs well even when repeatedly prompting LLMs does not work reliably. Our contributions mark an important step towards designing principled interactive learning algorithms using generic language feedback.

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arXiv2024

Streetwise Agents: Empowering Offline RL Policies to Outsmart Exogenous Stochastic Disturbances in RTC

The difficulty of exploring and training online on real production systems limits the scope of real-time online data/feedback-driven decision making. The most feasible approach is to adopt offline reinforcement learning from limited trajectory samples. However, after deployment, such policies fail due to exogenous factors that temporarily or permanently disturb/alter the transition distribution of the assumed decision process structure induced by offline samples. This results in critical policy failures and generalization errors in sensitive domains like Real-Time Communication (RTC). We solve this crucial problem of identifying robust actions in presence of domain shifts due to unseen exogenous stochastic factors in the wild. As it is impossible to learn generalized offline policies within the support of offline data that are robust to these unseen exogenous disturbances, we propose a novel post-deployment shaping of policies (Streetwise), conditioned on real-time characterization of out-of-distribution sub-spaces. This leads to robust actions in bandwidth estimation (BWE) of network bottlenecks in RTC and in standard benchmarks. Our extensive experimental results on BWE and other standard offline RL benchmark environments demonstrate a significant improvement ($\approx$ 18% on some scenarios) in final returns wrt. end-user metrics over state-of-the-art baselines.

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arXiv2024

How to Solve Contextual Goal-Oriented Problems with Offline Datasets?

We present a novel method, Contextual goal-Oriented Data Augmentation (CODA), which uses commonly available unlabeled trajectories and context-goal pairs to solve Contextual Goal-Oriented (CGO) problems. By carefully constructing an action-augmented MDP that is equivalent to the original MDP, CODA creates a fully labeled transition dataset under training contexts without additional approximation error. We conduct a novel theoretical analysis to demonstrate CODA's capability to solve CGO problems in the offline data setup. Empirical results also showcase the effectiveness of CODA, which outperforms other baseline methods across various context-goal relationships of CGO problem. This approach offers a promising direction to solving CGO problems using offline datasets.

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arXiv2024

Trace is the Next AutoDiff: Generative Optimization with Rich Feedback, Execution Traces, and LLMs

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. AutoDiff frameworks, like PyTorch, enable efficient end-to-end optimization of differentiable systems. However, general computational workflows can be non-differentiable and involve rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, codes), and intricate objectives (beyond maximizing a score). We investigate end-to-end generative optimization -- using generative models such as LLMs within the optimizer for automatic updating of general computational workflows. We discover that workflow execution traces are akin to back-propagated gradients in AutoDiff and can provide key information to interpret feedback for efficient optimization. Formally, we frame a new mathematical setup, Optimization with Trace Oracle (OPTO). In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. We provide a Python library, Trace, that efficiently converts a workflow optimization problem into an OPTO instance using PyTorch-like syntax. Using Trace, we develop a general LLM-based generative optimizer called OptoPrime. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We envision Trace as an open research platform for devising novel generative optimizers and developing the next generation of interactive learning agents. Website: https://microsoft.github.io/Trace/.

cs.AI↗

arXiv2024

The Importance of Directional Feedback for LLM-based Optimizers

We study the potential of using large language models (LLMs) as an interactive optimizer for solving maximization problems in a text space using natural language and numerical feedback. Inspired by the classical optimization literature, we classify the natural language feedback into directional and non-directional, where the former is a generalization of the first-order feedback to the natural language space. We find that LLMs are especially capable of optimization when they are provided with {directional feedback}. Based on this insight, we design a new LLM-based optimizer that synthesizes directional feedback from the historical optimization trace to achieve reliable improvement over iterations. Empirically, we show our LLM-based optimizer is more stable and efficient in solving optimization problems, from maximizing mathematical functions to optimizing prompts for writing poems, compared with existing techniques.

cs.AI↗

arXiv2024

Direct Nash Optimization: Teaching Language Models to Self-Improve with General Preferences

This paper studies post-training large language models (LLMs) using preference feedback from a powerful oracle to help a model iteratively improve over itself. The typical approach for post-training LLMs involves Reinforcement Learning from Human Feedback (RLHF), which traditionally separates reward learning and subsequent policy optimization. However, such a reward maximization approach is limited by the nature of "point-wise" rewards (such as Bradley-Terry model), which fails to express complex intransitive or cyclic preference relations. While advances on RLHF show reward learning and policy optimization can be merged into a single contrastive objective for stability, they yet still remain tethered to the reward maximization framework. Recently, a new wave of research sidesteps the reward maximization presumptions in favor of directly optimizing over "pair-wise" or general preferences. In this paper, we introduce Direct Nash Optimization (DNO), a provable and scalable algorithm that marries the simplicity and stability of contrastive learning with theoretical generality from optimizing general preferences. Because DNO is a batched on-policy algorithm using a regression-based objective, its implementation is straightforward and efficient. Moreover, DNO enjoys monotonic improvement across iterations that help it improve even over a strong teacher (such as GPT-4). In our experiments, a resulting 7B parameter Orca-2.5 model aligned by DNO achieves the state-of-the-art win-rate against GPT-4-Turbo of 33% on AlpacaEval 2.0 (even after controlling for response length), an absolute gain of 26% (7% to 33%) over the initializing model. It outperforms models with far more parameters, including Mistral Large, Self-Rewarding LM (70B parameters), and older versions of GPT-4.

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arXiv2024

PRISE: LLM-Style Sequence Compression for Learning Temporal Action Abstractions in Control

Temporal action abstractions, along with belief state representations, are a powerful knowledge sharing mechanism for sequential decision making. In this work, we propose a novel view that treats inducing temporal action abstractions as a sequence compression problem. To do so, we bring a subtle but critical component of LLM training pipelines -- input tokenization via byte pair encoding (BPE) -- to the seemingly distant task of learning skills of variable time span in continuous control domains. We introduce an approach called Primitive Sequence Encoding (PRISE) that combines continuous action quantization with BPE to learn powerful action abstractions. We empirically show that high-level skills discovered by PRISE from a multitask set of robotic manipulation demonstrations significantly boost the performance of both multitask imitation learning as well as few-shot imitation learning on unseen tasks. Our code is released at https://github.com/FrankZheng2022/PRISE.

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arXiv2023

LLF-Bench: Benchmark for Interactive Learning from Language Feedback

We introduce a new benchmark, LLF-Bench (Learning from Language Feedback Benchmark; pronounced as "elf-bench"), to evaluate the ability of AI agents to interactively learn from natural language feedback and instructions. Learning from language feedback (LLF) is essential for people, largely because the rich information this feedback provides can help a learner avoid much of trial and error and thereby speed up the learning process. Large Language Models (LLMs) have recently enabled AI agents to comprehend natural language -- and hence AI agents can potentially benefit from language feedback during learning like humans do. But existing interactive benchmarks do not assess this crucial capability: they either use numeric reward feedback or require no learning at all (only planning or information retrieval). LLF-Bench is designed to fill this omission. LLF-Bench is a diverse collection of sequential decision-making tasks that includes user recommendation, poem writing, navigation, and robot control. The objective of an agent is to interactively solve these tasks based on their natural-language instructions and the feedback received after taking actions. Crucially, to ensure that the agent actually "learns" from the feedback, LLF-Bench implements several randomization techniques (such as paraphrasing and environment randomization) to ensure that the task isn't familiar to the agent and that the agent is robust to various verbalizations. In addition, LLF-Bench provides a unified OpenAI Gym interface for all its tasks and allows the users to easily configure the information the feedback conveys (among suggestion, explanation, and instantaneous performance) to study how agents respond to different types of feedback. Together, these features make LLF-Bench a unique research platform for developing and testing LLF agents.

cs.AI↗

arXiv2023

Interactive Robot Learning from Verbal Correction

The ability to learn and refine behavior after deployment has become ever more important for robots as we design them to operate in unstructured environments like households. In this work, we design a new learning system based on large language model (LLM), OLAF, that allows everyday users to teach a robot using verbal corrections when the robot makes mistakes, e.g., by saying "Stop what you're doing. You should move closer to the cup." A key feature of OLAF is its ability to update the robot's visuomotor neural policy based on the verbal feedback to avoid repeating mistakes in the future. This is in contrast to existing LLM-based robotic systems, which only follow verbal commands or corrections but not learn from them. We demonstrate the efficacy of our design in experiments where a user teaches a robot to perform long-horizon manipulation tasks both in simulation and on physical hardware, achieving on average 20.0% improvement in policy success rate. Videos and more results are at https://ut-austin-rpl.github.io/olaf/

cs.RO↗

arXiv2023

Goal Representations for Instruction Following: A Semi-Supervised Language Interface to Control

Our goal is for robots to follow natural language instructions like "put the towel next to the microwave." But getting large amounts of labeled data, i.e. data that contains demonstrations of tasks labeled with the language instruction, is prohibitive. In contrast, obtaining policies that respond to image goals is much easier, because any autonomous trial or demonstration can be labeled in hindsight with its final state as the goal. In this work, we contribute a method that taps into joint image- and goal- conditioned policies with language using only a small amount of language data. Prior work has made progress on this using vision-language models or by jointly training language-goal-conditioned policies, but so far neither method has scaled effectively to real-world robot tasks without significant human annotation. Our method achieves robust performance in the real world by learning an embedding from the labeled data that aligns language not to the goal image, but rather to the desired change between the start and goal images that the instruction corresponds to. We then train a policy on this embedding: the policy benefits from all the unlabeled data, but the aligned embedding provides an interface for language to steer the policy. We show instruction following across a variety of manipulation tasks in different scenes, with generalization to language instructions outside of the labeled data. Videos and code for our approach can be found on our website: https://rail-berkeley.github.io/grif/ .

cs.RO↗

arXiv2023

Survival Instinct in Offline Reinforcement Learning

We present a novel observation about the behavior of offline reinforcement learning (RL) algorithms: on many benchmark datasets, offline RL can produce well-performing and safe policies even when trained with "wrong" reward labels, such as those that are zero everywhere or are negatives of the true rewards. This phenomenon cannot be easily explained by offline RL's return maximization objective. Moreover, it gives offline RL a degree of robustness that is uncharacteristic of its online RL counterparts, which are known to be sensitive to reward design. We demonstrate that this surprising robustness property is attributable to an interplay between the notion of pessimism in offline RL algorithms and certain implicit biases in common data collection practices. As we prove in this work, pessimism endows the agent with a "survival instinct", i.e., an incentive to stay within the data support in the long term, while the limited and biased data coverage further constrains the set of survival policies. Formally, given a reward class -- which may not even contain the true reward -- we identify conditions on the training data distribution that enable offline RL to learn a near-optimal and safe policy from any reward within the class. We argue that the survival instinct should be taken into account when interpreting results from existing offline RL benchmarks and when creating future ones. Our empirical and theoretical results suggest a new paradigm for RL, whereby an agent is nudged to learn a desirable behavior with imperfect reward but purposely biased data coverage.

cs.LG↗

arXiv2023

Improving Offline RL by Blending Heuristics

We propose Heuristic Blending (HUBL), a simple performance-improving technique for a broad class of offline RL algorithms based on value bootstrapping. HUBL modifies the Bellman operators used in these algorithms, partially replacing the bootstrapped values with heuristic ones that are estimated with Monte-Carlo returns. For trajectories with higher returns, HUBL relies more on the heuristic values and less on bootstrapping; otherwise, it leans more heavily on bootstrapping. HUBL is very easy to combine with many existing offline RL implementations by relabeling the offline datasets with adjusted rewards and discount factors. We derive a theory that explains HUBL's effect on offline RL as reducing offline RL's complexity and thus increasing its finite-sample performance. Furthermore, we empirically demonstrate that HUBL consistently improves the policy quality of four state-of-the-art bootstrapping-based offline RL algorithms (ATAC, CQL, TD3+BC, and IQL), by 9% on average over 27 datasets of the D4RL and Meta-World benchmarks.

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arXiv2023

MAHALO: Unifying Offline Reinforcement Learning and Imitation Learning from Observations

We study a new paradigm for sequential decision making, called offline policy learning from observations (PLfO). Offline PLfO aims to learn policies using datasets with substandard qualities: 1) only a subset of trajectories is labeled with rewards, 2) labeled trajectories may not contain actions, 3) labeled trajectories may not be of high quality, and 4) the data may not have full coverage. Such imperfection is common in real-world learning scenarios, and offline PLfO encompasses many existing offline learning setups, including offline imitation learning (IL), offline IL from observations (ILfO), and offline reinforcement learning (RL). In this work, we present a generic approach to offline PLfO, called $\textbf{M}$odality-agnostic $\textbf{A}$dversarial $\textbf{H}$ypothesis $\textbf{A}$daptation for $\textbf{L}$earning from $\textbf{O}$bservations (MAHALO). Built upon the pessimism concept in offline RL, MAHALO optimizes the policy using a performance lower bound that accounts for uncertainty due to the dataset's insufficient coverage. We implement this idea by adversarially training data-consistent critic and reward functions, which forces the learned policy to be robust to data deficiency. We show that MAHALO consistently outperforms or matches specialized algorithms across a variety of offline PLfO tasks in theory and experiments. Our code is available at https://github.com/AnqiLi/mahalo.

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arXiv2023

PLEX: Making the Most of the Available Data for Robotic Manipulation Pretraining

A rich representation is key to general robotic manipulation, but existing approaches to representation learning require large amounts of multimodal demonstrations. In this work we propose PLEX, a transformer-based architecture that learns from a small amount of task-agnostic visuomotor trajectories and a much larger amount of task-conditioned object manipulation videos -- a type of data available in quantity. PLEX uses visuomotor trajectories to induce a latent feature space and to learn task-agnostic manipulation routines, while diverse video-only demonstrations teach PLEX how to plan in the induced latent feature space for a wide variety of tasks. Experiments showcase PLEX's generalization on Meta-World and SOTA performance in challenging Robosuite environments. In particular, using relative positional encoding in PLEX's transformers greatly helps in low-data regimes of learning from human-collected demonstrations. The paper's accompanying code and data are available at https://microsoft.github.io/PLEX.

cs.RO↗

arXiv2023

Adversarial Model for Offline Reinforcement Learning

We propose a novel model-based offline Reinforcement Learning (RL) framework, called Adversarial Model for Offline Reinforcement Learning (ARMOR), which can robustly learn policies to improve upon an arbitrary reference policy regardless of data coverage. ARMOR is designed to optimize policies for the worst-case performance relative to the reference policy through adversarially training a Markov decision process model. In theory, we prove that ARMOR, with a well-tuned hyperparameter, can compete with the best policy within data coverage when the reference policy is supported by the data. At the same time, ARMOR is robust to hyperparameter choices: the policy learned by ARMOR, with "any" admissible hyperparameter, would never degrade the performance of the reference policy, even when the reference policy is not covered by the dataset. To validate these properties in practice, we design a scalable implementation of ARMOR, which by adversarial training, can optimize policies without using model ensembles in contrast to typical model-based methods. We show that ARMOR achieves competent performance with both state-of-the-art offline model-free and model-based RL algorithms and can robustly improve the reference policy over various hyperparameter choices.

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