Large language models (LLMs) have emerged as a cornerstone in real-world applications with lengthy streaming inputs, such as LLM-driven agents. However, existing LLMs, pre-trained on sequences with restricted maximum length, cannot generalize to longer sequences due to the out-of-domain and distraction issues. To alleviate these issues, existing efforts employ sliding attention windows and discard distant tokens to achieve the processing of extremely long sequences. Unfortunately, these approaches inevitably fail to capture long-distance dependencies within sequences to deeply understand semantics. This paper introduces a training-free memory-based method, InfLLM, to unveil the intrinsic ability of LLMs to process streaming long sequences. Specifically, InfLLM stores distant contexts into additional memory units and employs an efficient mechanism to lookup token-relevant units for attention computation. Thereby, InfLLM allows LLMs to efficiently process long sequences while maintaining the ability to capture long-distance dependencies. Without any training, InfLLM enables LLMs pre-trained on sequences of a few thousand tokens to achieve superior performance than competitive baselines continually training these LLMs on long sequences. Even when the sequence length is scaled to $1,024$K, InfLLM still effectively captures long-distance dependencies.

Open-source large language models (LLMs) have gained significant strength across diverse fields. Nevertheless, the majority of studies primarily concentrate on English, with only limited exploration into the realm of multilingual supervised fine-tuning. In this work, we therefore construct an open-source multilingual supervised fine-tuning dataset. Different from previous works that simply translate English instructions, we consider both the language-specific and language-agnostic abilities of LLMs. For language-specific abilities, we introduce a knowledge-grounded data augmentation approach to elicit more culture-specific knowledge of LLMs, improving their ability to serve users from different countries. For language-agnostic abilities, we find through experiments that modern LLMs exhibit strong cross-lingual transfer capabilities, thus repeatedly learning identical content in various languages is not necessary. Consequently, we can substantially prune the language-agnostic SFT data without any performance degradation, making the SFT process more efficient. The resulting UltraLink dataset comprises approximately 1 million samples across five languages, and the proposed data construction method can also be easily extended to other languages. UltraLink-LM, which is trained on UltraLink, outperforms several representative baselines across many tasks.

Sparse computation offers a compelling solution for the inference of Large Language Models (LLMs) in low-resource scenarios by dynamically skipping the computation of inactive neurons. While traditional approaches focus on ReLU-based LLMs, leveraging zeros in activation values, we broaden the scope of sparse LLMs beyond zero activation values. We introduce a general method that defines neuron activation through neuron output magnitudes and a tailored magnitude threshold, demonstrating that non-ReLU LLMs also exhibit sparse activation. To find the most efficient activation function for sparse computation, we propose a systematic framework to examine the sparsity of LLMs from three aspects: the trade-off between sparsity and performance, the predictivity of sparsity, and the hardware affinity. We conduct thorough experiments on LLMs utilizing different activation functions, including ReLU, SwiGLU, ReGLU, and ReLU$^2$. The results indicate that models employing ReLU$^2$ excel across all three evaluation aspects, highlighting its potential as an efficient activation function for sparse LLMs. We will release the code to facilitate future research.

Firm competition and collusion involve complex dynamics, particularly when considering communication among firms. Such issues can be modeled as problems of complex systems, traditionally approached through experiments involving human subjects or agent-based modeling methods. We propose an innovative framework called Smart Agent-Based Modeling (SABM), wherein smart agents, supported by GPT-4 technologies, represent firms, and interact with one another. We conducted a controlled experiment to study firm price competition and collusion behaviors under various conditions. SABM is more cost-effective and flexible compared to conducting experiments with human subjects. Smart agents possess an extensive knowledge base for decision-making and exhibit human-like strategic abilities, surpassing traditional ABM agents. Furthermore, smart agents can simulate human conversation and be personalized, making them ideal for studying complex situations involving communication. Our results demonstrate that, in the absence of communication, smart agents consistently reach tacit collusion, leading to prices converging at levels higher than the Bertrand equilibrium price but lower than monopoly or cartel prices. When communication is allowed, smart agents achieve a higher-level collusion with prices close to cartel prices. Collusion forms more quickly with communication, while price convergence is smoother without it. These results indicate that communication enhances trust between firms, encouraging frequent small price deviations to explore opportunities for a higher-level win-win situation and reducing the likelihood of triggering a price war. We also assigned different personas to firms to analyze behavioral differences and tested variant models under diverse market structures. The findings showcase the effectiveness and robustness of SABM and provide intriguing insights into competition and collusion.

Theoretical studies on chemical reaction mechanisms have been crucial in organic chemistry. Traditionally, calculating the manually constructed molecular conformations of transition states for chemical reactions using quantum chemical calculations is the most commonly used method. However, this way is heavily dependent on individual experience and chemical intuition. In our previous study, we proposed a research paradigm that uses enhanced sampling in QM/MM molecular dynamics simulations to study chemical reactions. This approach can directly simulate the entire process of a chemical reaction. However, the computational speed limits the use of high-precision potential energy functions for simulations. To address this issue, we present a scheme for training high-precision force fields for molecular modeling using our developed graph-neural-network-based molecular model, molecular configuration transformer. This potential energy function allows for highly accurate simulations at a low computational cost, leading to more precise calculations of the mechanism of chemical reactions. We have used this approach to study a Cope rearrangement reaction and a Carbonyl insertion reaction catalyzed by Manganese. This "AI+Physics" based simulation approach is expected to become a new trend in the theoretical study of organic chemical reaction mechanisms.

Computer simulations offer a robust toolset for exploring complex systems across various disciplines. A particularly impactful approach within this realm is Agent-Based Modeling (ABM), which harnesses the interactions of individual agents to emulate intricate system dynamics. ABM's strength lies in its bottom-up methodology, illuminating emergent phenomena by modeling the behaviors of individual components of a system. Yet, ABM has its own set of challenges, notably its struggle with modeling natural language instructions and common sense in mathematical equations or rules. This paper seeks to transcend these boundaries by integrating Large Language Models (LLMs) like GPT into ABM. This amalgamation gives birth to a novel framework, Smart Agent-Based Modeling (SABM). Building upon the concept of smart agents -- entities characterized by their intelligence, adaptability, and computation ability -- we explore in the direction of utilizing LLM-powered agents to simulate real-world scenarios with increased nuance and realism. In this comprehensive exploration, we elucidate the state of the art of ABM, introduce SABM's potential and methodology, and present three case studies (source codes available at https://github.com/Roihn/SABM), demonstrating the SABM methodology and validating its effectiveness in modeling real-world systems. Furthermore, we cast a vision towards several aspects of the future of SABM, anticipating a broader horizon for its applications. Through this endeavor, we aspire to redefine the boundaries of computer simulations, enabling a more profound understanding of complex systems.

Injecting external knowledge can improve the performance of pre-trained language models (PLMs) on various downstream NLP tasks. However, massive retraining is required to deploy new knowledge injection methods or knowledge bases for downstream tasks. In this work, we are the first to study how to improve the flexibility and efficiency of knowledge injection by reusing existing downstream models. To this end, we explore a new paradigm plug-and-play knowledge injection, where knowledge bases are injected into frozen existing downstream models by a knowledge plugin. Correspondingly, we propose a plug-and-play injection method map-tuning, which trains a mapping of knowledge embeddings to enrich model inputs with mapped embeddings while keeping model parameters frozen. Experimental results on three knowledge-driven NLP tasks show that existing injection methods are not suitable for the new paradigm, while map-tuning effectively improves the performance of downstream models. Moreover, we show that a frozen downstream model can be well adapted to different domains with different mapping networks of domain knowledge. Our code and models are available at https://github.com/THUNLP/Knowledge-Plugin.

The scientific scale-up of large language models (LLMs) necessitates a comprehensive understanding of their scaling properties. However, the existing literature on the scaling properties only yields an incomplete answer: optimization loss decreases predictably as the model size increases, in line with established scaling law; yet no scaling law for task has been established and the task performances are far from predictable during scaling. Task performances typically show minor gains on small models until they improve dramatically once models exceed a size threshold, exemplifying the ``emergent abilities''. In this study, we discover that small models, although they exhibit minor performance, demonstrate critical and consistent task performance improvements that are not captured by conventional evaluation strategies due to insufficient measurement resolution. To measure such improvements, we introduce PassUntil, an evaluation strategy with theoretically infinite resolution, through massive sampling in the decoding phase. With PassUntil, we conduct a quantitative investigation into the scaling law of task performance. The investigation contains two parts. Firstly, a strict task scaling law that is not conventionally known to exist, is identified, enhancing the predictability of task performances. Remarkably, we are able to predict the performance of the 2.4B model on code generation with merely 0.05\% deviation before training starts, which is the first systematic attempt to verify predictable scaling proposed by GPT-4's report. Secondly, we are able to study emergent abilities quantitatively. We identify a kind of accelerated emergence whose scaling curve cannot be fitted by standard scaling law function and has a increasing speed. We then examine two hypothesis and imply that the ``multiple circuits hypothesis'' might be responsible for the accelerated emergence.

Most existing traffic sign-related works are dedicated to detecting and recognizing part of traffic signs individually, which fails to analyze the global semantic logic among signs and may convey inaccurate traffic instruction. Following the above issues, we propose a traffic sign interpretation (TSI) task, which aims to interpret global semantic interrelated traffic signs (e.g.,~driving instruction-related texts, symbols, and guide panels) into a natural language for providing accurate instruction support to autonomous or assistant driving. Meanwhile, we design a multi-task learning architecture for TSI, which is responsible for detecting and recognizing various traffic signs and interpreting them into a natural language like a human. Furthermore, the absence of a public TSI available dataset prompts us to build a traffic sign interpretation dataset, namely TSI-CN. The dataset consists of real road scene images, which are captured from the highway and the urban way in China from a driver's perspective. It contains rich location labels of texts, symbols, and guide panels, and the corresponding natural language description labels. Experiments on TSI-CN demonstrate that the TSI task is achievable and the TSI architecture can interpret traffic signs from scenes successfully even if there is a complex semantic logic among signs. The TSI-CN dataset and the source code of the TSI architecture will be publicly available after the revision process.

Parameter-efficient tuning (PET) has been widely explored in recent years because it tunes much fewer parameters (PET modules) than full-parameter fine-tuning (FT) while still stimulating sufficient knowledge from large language models (LLMs) for downstream tasks. Moreover, when PET is employed to serve multiple tasks, different task-specific PET modules can be built on a frozen LLM, avoiding redundant LLM deployments. Although PET significantly reduces the cost of tuning and deploying LLMs, its inference still suffers from the computational bottleneck of LLMs. To address the above issue, we propose an effective PET framework based on compressed LLMs, named "CPET". In CPET, we evaluate the impact of mainstream LLM compression techniques on PET performance and then introduce knowledge inheritance and recovery strategies to restore the knowledge loss caused by these compression techniques. Our experimental results demonstrate that, owing to the restoring strategies of CPET, collaborating task-specific PET modules with a compressed LLM can achieve comparable performance to collaborating PET modules with the original version of the compressed LLM and outperform directly applying vanilla PET methods to the compressed LLM.