Cheng Chang

Cheng Chang, Tieyong Zeng

Gaussian process regression (GPR) has been a well-known machine learning method for various applications such as uncertainty quantifications (UQ). However, GPR is inherently a data-driven method, which requires sufficiently large dataset. If appropriate physics constraints (e.g. expressed in partial differential equations) can be incorporated, the amount of data can be greatly reduced and the accuracy further improved. In this work, we propose a hybrid data driven-physics constrained Gaussian process regression framework. We encode the physics knowledge with Boltzmann-Gibbs distribution and derive our model through maximum likelihood (ML) approach. We apply deep kernel learning method. The proposed model learns from both data and physics constraints through the training of a deep neural network, which serves as part of the covariance function in GPR. The proposed model achieves good results in high-dimensional problem, and correctly propagate the uncertainty, with very limited labelled data provided.

Zhi Jin, Sheng Xu, Xiang Zhang et al.

De novo peptide sequencing from mass spectrometry (MS) data is a critical task in proteomics research. Traditional de novo algorithms have encountered a bottleneck in accuracy due to the inherent complexity of proteomics data. While deep learning-based methods have shown progress, they reduce the problem to a translation task, potentially overlooking critical nuances between spectra and peptides. In our research, we present ContraNovo, a pioneering algorithm that leverages contrastive learning to extract the relationship between spectra and peptides and incorporates the mass information into peptide decoding, aiming to address these intricacies more efficiently. Through rigorous evaluations on two benchmark datasets, ContraNovo consistently outshines contemporary state-of-the-art solutions, underscoring its promising potential in enhancing de novo peptide sequencing. The source code is available at https://github.com/BEAM-Labs/ContraNovo.

Yichen Shi, Zhuofu Tao, Yuhao Gao et al.

High-performance analog and mixed-signal (AMS) circuits are mainly full-custom designed, which is time-consuming and labor-intensive. A significant portion of the effort is experience-driven, which makes the automation of AMS circuit design a formidable challenge. Large language models (LLMs) have emerged as powerful tools for Electronic Design Automation (EDA) applications, fostering advancements in the automatic design process for large-scale AMS circuits. However, the absence of high-quality datasets has led to issues such as model hallucination, which undermines the robustness of automatically generated circuit designs. To address this issue, this paper introduces AMSnet-KG, a dataset encompassing various AMS circuit schematics and netlists. We construct a knowledge graph with annotations on detailed functional and performance characteristics. Facilitated by AMSnet-KG, we propose an automated AMS circuit generation framework that utilizes the comprehensive knowledge embedded in LLMs. We first formulate a design strategy (e.g., circuit architecture using a number of circuit components) based on required specifications. Next, matched circuit components are retrieved and assembled into a complete topology, and transistor sizing is obtained through Bayesian optimization. Simulation results of the netlist are fed back to the LLM for further topology refinement, ensuring the circuit design specifications are met. We perform case studies of operational amplifier and comparator design to verify the automatic design flow from specifications to netlists with minimal human effort. The dataset used in this paper will be open-sourced upon publishing of this paper.

Zhangyue Yin, Qiushi Sun, Cheng Chang et al.

Large Language Models (LLMs) have recently made significant strides in complex reasoning tasks through the Chain-of-Thought technique. Despite this progress, their reasoning is often constrained by their intrinsic understanding, lacking external insights. To address this, we propose Exchange-of-Thought (EoT), a novel framework that enables cross-model communication during problem-solving. Drawing inspiration from network topology, EoT integrates four unique communication paradigms: Memory, Report, Relay, and Debate. This paper delves into the communication dynamics and volume associated with each paradigm. To counterbalance the risks of incorrect reasoning chains, we implement a robust confidence evaluation mechanism within these communications. Our experiments across diverse complex reasoning tasks demonstrate that EoT significantly surpasses established baselines, underscoring the value of external insights in enhancing LLM performance. Furthermore, we show that EoT achieves these superior results in a cost-effective manner, marking a promising advancement for efficient and collaborative AI problem-solving.

Yu Gu, Kai Zhang, Yuting Ning et al. · microsoft-research

Language agents based on large language models (LLMs) have demonstrated great promise in automating web-based tasks. Recent work has shown that incorporating advanced planning algorithms, e.g., tree search, is advantageous over reactive planning for web agents. However, unlike simulated sandbox environments, real-world environments such as the web are rife with irreversible actions. This undermines the feasibility of backtracking, a cornerstone of (tree) search. Overly relying on test-time search also hurts efficiency. We advocate model-based planning for web agents that employs a world model to simulate and deliberate over the outcome of each candidate action before committing to one. We systematically explore this paradigm by (1) Proposing a model-based planning framework, WebDreamer, which employs LLMs to serve as both world models and value functions; (2) Training specialized LLMs as world models with a scalable data synthesis pipeline. Empirical results demonstrate that WebDreamer achieves substantial performance improvements over reactive baselines. It is competitive, while being 4-5 times more efficient, with tree search in sandbox environments (VisualWebArena) and also works effectively on real-world websites (Online-Mind2Web and Mind2Web-Live). Furthermore, our trained world model, Dreamer-7B, performs comparable to GPT-4o, highlighting the potential of specialized world models for efficient and effective planning in complex web environments.

Zhangyue Yin, Qiushi Sun, Qipeng Guo et al.

Recent advancements in Chain-of-Thought prompting have facilitated significant breakthroughs for Large Language Models (LLMs) in complex reasoning tasks. Current research enhances the reasoning performance of LLMs by sampling multiple reasoning chains and ensembling based on the answer frequency. However, this approach fails in scenarios where the correct answers are in the minority. We identify this as a primary factor constraining the reasoning capabilities of LLMs, a limitation that cannot be resolved solely based on the predicted answers. To address this shortcoming, we introduce a hierarchical reasoning aggregation framework AoR (Aggregation of Reasoning), which selects answers based on the evaluation of reasoning chains. Additionally, AoR incorporates dynamic sampling, adjusting the number of reasoning chains in accordance with the complexity of the task. Experimental results on a series of complex reasoning tasks show that AoR outperforms prominent ensemble methods. Further analysis reveals that AoR not only adapts various LLMs but also achieves a superior performance ceiling when compared to current methods.