DataSciBench: An LLM Agent Benchmark for Data Science

This paper presents DataSciBench, a comprehensive benchmark for evaluating Large Language Model (LLM) capabilities in data science. Recent related benchmarks have primarily focused on single tasks, easily obtainable ground truth, and straightforward evaluation metrics, which limits the scope of tasks that can be evaluated. In contrast, DataSciBench is constructed based on a more comprehensive and curated collection of natural and challenging prompts for uncertain ground truth and evaluation metrics. We develop a semi-automated pipeline for generating ground truth (GT) and validating evaluation metrics. This pipeline utilizes and implements an LLM-based self-consistency and human verification strategy to produce accurate GT by leveraging collected prompts, predefined task types, and aggregate functions (metrics). Furthermore, we propose an innovative Task - Function - Code (TFC) framework to assess each code execution outcome based on precisely defined metrics and programmatic rules. Our experimental framework involves testing 6 API-based models, 8 open-source general models, and 9 open-source code generation models using the diverse set of prompts we have gathered. This approach aims to provide a more comprehensive and rigorous evaluation of LLMs in data science, revealing their strengths and weaknesses. Experimental results demonstrate that API-based models outperform open-sourced models on all metrics and Deepseek-Coder-33B-Instruct achieves the highest score among open-sourced models. We release all code and data at https://github.com/THUDM/DataSciBench.

QLASS: Boosting Language Agent Inference via Q-Guided Stepwise Search

Language agents have become a promising solution to complex interactive tasks. One of the key ingredients to the success of language agents is the reward model on the trajectory of the agentic workflow, which provides valuable guidance during training or inference. However, due to the lack of annotations of intermediate interactions, most existing works use an outcome reward model to optimize policies across entire trajectories. This may lead to sub-optimal policies and hinder the overall performance. To address this, we propose QLASS (Q-guided Language Agent Stepwise Search), to automatically generate annotations by estimating Q-values in a stepwise manner for open language agents. By introducing a reasoning tree and performing process reward modeling, QLASS provides effective intermediate guidance for each step. With the stepwise guidance, we propose a Q-guided generation strategy to enable language agents to better adapt to long-term value, resulting in significant performance improvement during model inference on complex interactive agent tasks. Notably, even with almost half the annotated data, QLASS retains strong performance, demonstrating its efficiency in handling limited supervision. We also empirically demonstrate that QLASS can lead to more effective decision making through qualitative analysis. We will release our code and data.

Path-RAG: Knowledge-Guided Key Region Retrieval for Open-ended Pathology Visual Question Answering

Accurate diagnosis and prognosis assisted by pathology images are essential for cancer treatment selection and planning. Despite the recent trend of adopting deep-learning approaches for analyzing complex pathology images, they fall short as they often overlook the domain-expert understanding of tissue structure and cell composition. In this work, we focus on a challenging Open-ended Pathology VQA (PathVQA-Open) task and propose a novel framework named Path-RAG, which leverages HistoCartography to retrieve relevant domain knowledge from pathology images and significantly improves performance on PathVQA-Open. Admitting the complexity of pathology image analysis, Path-RAG adopts a human-centered AI approach by retrieving domain knowledge using HistoCartography to select the relevant patches from pathology images. Our experiments suggest that domain guidance can significantly boost the accuracy of LLaVA-Med from 38% to 47%, with a notable gain of 28% for H&E-stained pathology images in the PathVQA-Open dataset. For longer-form question and answer pairs, our model consistently achieves significant improvements of 32.5% in ARCH-Open PubMed and 30.6% in ARCH-Open Books on H\&E images. Our code and dataset is available here (https://github.com/embedded-robotics/path-rag).

PIANIST: Learning Partially Observable World Models with LLMs for Multi-Agent Decision Making

Effective extraction of the world knowledge in LLMs for complex decision-making tasks remains a challenge. We propose a framework PIANIST for decomposing the world model into seven intuitive components conducive to zero-shot LLM generation. Given only the natural language description of the game and how input observations are formatted, our method can generate a working world model for fast and efficient MCTS simulation. We show that our method works well on two different games that challenge the planning and decision making skills of the agent for both language and non-language based action taking, without any training on domain-specific training data or explicitly defined world model.

Physics-Informed Regularization for Domain-Agnostic Dynamical System Modeling

Learning complex physical dynamics purely from data is challenging due to the intrinsic properties of systems to be satisfied. Incorporating physics-informed priors, such as in Hamiltonian Neural Networks (HNNs), achieves high-precision modeling for energy-conservative systems. However, real-world systems often deviate from strict energy conservation and follow different physical priors. To address this, we present a framework that achieves high-precision modeling for a wide range of dynamical systems from the numerical aspect, by enforcing Time-Reversal Symmetry (TRS) via a novel regularization term. It helps preserve energies for conservative systems while serving as a strong inductive bias for non-conservative, reversible systems. While TRS is a domain-specific physical prior, we present the first theoretical proof that TRS loss can universally improve modeling accuracy by minimizing higher-order Taylor terms in ODE integration, which is numerically beneficial to various systems regardless of their properties, even for irreversible systems. By integrating the TRS loss within neural ordinary differential equation models, the proposed model TREAT demonstrates superior performance on diverse physical systems. It achieves a significant 11.5% MSE improvement in a challenging chaotic triple-pendulum scenario, underscoring TREAT's broad applicability and effectiveness.

Strategist: Learning Strategic Skills by LLMs via Bi-Level Tree Search

In this paper, we propose a new method Strategist that utilizes LLMs to acquire new skills for playing multi-agent games through a self-improvement process. Our method gathers quality feedback through self-play simulations with Monte Carlo tree search and LLM-based reflection, which can then be used to learn high-level strategic skills such as how to evaluate states that guide the low-level execution.We showcase how our method can be used in both action planning and dialogue generation in the context of games, achieving good performance on both tasks. Specifically, we demonstrate that our method can help train agents with better performance than both traditional reinforcement learning-based approaches and other LLM-based skill learning approaches in games including the Game of Pure Strategy (GOPS) and The Resistance: Avalon.

Dataset Distillation for Offline Reinforcement Learning

Offline reinforcement learning often requires a quality dataset that we can train a policy on. However, in many situations, it is not possible to get such a dataset, nor is it easy to train a policy to perform well in the actual environment given the offline data. We propose using data distillation to train and distill a better dataset which can then be used for training a better policy model. We show that our method is able to synthesize a dataset where a model trained on it achieves similar performance to a model trained on the full dataset or a model trained using percentile behavioral cloning. Our project site is available at $\href{https://datasetdistillation4rl.github.io}{\text{here}}$. We also provide our implementation at $\href{https://github.com/ggflow123/DDRL}{\text{this GitHub repository}}$.

Multi-Token Joint Speculative Decoding for Accelerating Large Language Model Inference

Transformer-based Large language models (LLMs) have demonstrated their power in various tasks, but their inference incurs significant time and energy costs. To accelerate LLM inference, speculative decoding uses a smaller model to propose one sequence of tokens, which are subsequently validated in batch by the target large model. Compared with autoregressive decoding, speculative decoding generates the same number of tokens with fewer runs of the large model, hence accelerating the overall inference by $1$-$2\times$. However, greedy decoding is not the optimal decoding algorithm in terms of output perplexity, which is a direct measurement of the effectiveness of a decoding algorithm. An algorithm that has better output perplexity and even better efficiency than speculative decoding can be more useful in practice. To achieve this seemingly contradictory goal, we first introduce multi-token joint greedy decoding (MJGD), which greedily generates multiple tokens at each step based on their joint perplexity. We show that it leads to better perplexity for the whole output. But the computation cost of MJGD is infeasible in practice. So we further propose multi-token joint speculative decoding (MJSD), which approximates and accelerates the MJGD from two aspects: it approximates the joint distribution of the large model with that of a small model, and uses a verification step to guarantee the accuracy of approximation; then it uses beam decoding to accelerate the sequence generation from the joint distribution. Compared with vanilla speculative decoding, MJSD has two advantages: (1) it is an approximation of MJGD, thus achieving better output perplexity; (2) verification with joint likelihood allows it to accept the longest prefix sub-sequence of the draft tokens with valid perplexity, leading to better efficiency...

MIRAI: Evaluating LLM Agents for Event Forecasting

Recent advancements in Large Language Models (LLMs) have empowered LLM agents to autonomously collect world information, over which to conduct reasoning to solve complex problems. Given this capability, increasing interests have been put into employing LLM agents for predicting international events, which can influence decision-making and shape policy development on an international scale. Despite such a growing interest, there is a lack of a rigorous benchmark of LLM agents' forecasting capability and reliability. To address this gap, we introduce MIRAI, a novel benchmark designed to systematically evaluate LLM agents as temporal forecasters in the context of international events. Our benchmark features an agentic environment with tools for accessing an extensive database of historical, structured events and textual news articles. We refine the GDELT event database with careful cleaning and parsing to curate a series of relational prediction tasks with varying forecasting horizons, assessing LLM agents' abilities from short-term to long-term forecasting. We further implement APIs to enable LLM agents to utilize different tools via a code-based interface. In summary, MIRAI comprehensively evaluates the agents' capabilities in three dimensions: 1) autonomously source and integrate critical information from large global databases; 2) write codes using domain-specific APIs and libraries for tool-use; and 3) jointly reason over historical knowledge from diverse formats and time to accurately predict future events. Through comprehensive benchmarking, we aim to establish a reliable framework for assessing the capabilities of LLM agents in forecasting international events, thereby contributing to the development of more accurate and trustworthy models for international relation analysis.

Cross-Modality Program Representation Learning for Electronic Design Automation with High-Level Synthesis

In recent years, domain-specific accelerators (DSAs) have gained popularity for applications such as deep learning and autonomous driving. To facilitate DSA designs, programmers use high-level synthesis (HLS) to compile a high-level description written in C/C++ into a design with low-level hardware description languages that eventually synthesize DSAs on circuits. However, creating a high-quality HLS design still demands significant domain knowledge, particularly in microarchitecture decisions expressed as \textit{pragmas}. Thus, it is desirable to automate such decisions with the help of machine learning for predicting the quality of HLS designs, requiring a deeper understanding of the program that consists of original code and pragmas. Naturally, these programs can be considered as sequence data. In addition, these programs can be compiled and converted into a control data flow graph (CDFG). But existing works either fail to leverage both modalities or combine the two in shallow or coarse ways. We propose ProgSG, a model that allows interaction between the source code sequence modality and the graph modality in a deep and fine-grained way. To alleviate the scarcity of labeled designs, a pre-training method is proposed based on a suite of compiler's data flow analysis tasks. Experimental results show that ProgSG reduces the RMSE of design performance predictions by up to $22\%$, and identifies designs with an average of $1.10\times$ and $1.26\times$ (up to $8.17\times$ and $13.31\times$) performance improvement in design space exploration (DSE) task compared to HARP and AutoDSE, respectively.