Big data and large-scale machine learning have had a profound impact on science and engineering, particularly in fields focused on forecasting and prediction. Yet, it is still not clear how we can use the superior pattern matching abilities of machine learning models for scientific discovery. This is because the goals of machine learning and science are generally not aligned. In addition to being accurate, scientific theories must also be causally consistent with the underlying physical process and allow for human analysis, reasoning, and manipulation to advance the field. In this paper, we present a case study on discovering a new symbolic model for oceanic rogue waves from data using causal analysis, deep learning, parsimony-guided model selection, and symbolic regression. We train an artificial neural network on causal features from an extensive dataset of observations from wave buoys, while selecting for predictive performance and causal invariance. We apply symbolic regression to distill this black-box model into a mathematical equation that retains the neural network's predictive capabilities, while allowing for interpretation in the context of existing wave theory. The resulting model reproduces known behavior, generates well-calibrated probabilities, and achieves better predictive scores on unseen data than current theory. This showcases how machine learning can facilitate inductive scientific discovery, and paves the way for more accurate rogue wave forecasting.

Many Natural Language Generation (NLG) tasks aim to generate a single output text given an input prompt. Other settings require the generation of multiple texts, e.g., for Synthetic Traffic Generation (STG). This generation task is crucial for training and evaluating QA systems as well as conversational agents, where the goal is to generate multiple questions or utterances resembling the linguistic variability of real users. In this paper, we show that common NLG metrics, like BLEU, are not suitable for evaluating STG. We propose and evaluate several metrics designed to compare the generated traffic to the distribution of real user texts. We validate our metrics with an automatic procedure to verify whether they capture different types of quality issues of generated data; we also run human annotations to verify the correlation with human judgements. Experiments on three tasks, i.e., Shopping Utterance Generation, Product Question Generation and Query Auto Completion, demonstrate that our metrics are effective for evaluating STG tasks, and improve the agreement with human judgement up to 20% with respect to common NLG metrics. We believe these findings can pave the way towards better solutions for estimating the representativeness of synthetic text data.

Post-Training Quantization (PTQ) is a powerful technique for model compression, reducing the precision of neural networks without additional training overhead. Recent works have investigated adopting 8-bit floating-point quantization (FP8) in the context of PTQ for model inference. However, the exploration of floating-point formats smaller than 8 bits and their comparison with integer quantization remains relatively limited. In this work, we present minifloats, which are reduced-precision floating-point formats capable of further reducing the memory footprint, latency, and energy cost of a model while approaching full-precision model accuracy. Our work presents a novel PTQ design-space exploration, comparing minifloat and integer quantization schemes across a range of 3 to 8 bits for both weights and activations. We examine the applicability of various PTQ techniques to minifloats, including weight equalization, bias correction, SmoothQuant, gradient-based learned rounding, and the GPTQ method. Our experiments validate the effectiveness of low-precision minifloats when compared to their integer counterparts across a spectrum of accuracy-precision trade-offs on a set of reference deep learning vision workloads. Finally, we evaluate our results against an FPGA-based hardware cost model, showing that integer quantization often remains the Pareto-optimal option, given its relatively smaller hardware resource footprint.

We develop a pairing-based graph neural network for simulating quantum many-body systems. Our architecture augments a BCS-type geminal wavefunction with a generalized pair amplitude parameterized by a graph neural network. Variational Monte Carlo with our neural network simultaneously provides an accurate, flexible, and scalable method for simulating many-electron systems. We apply this method to two-dimensional semiconductor electron-hole bilayers and obtain accurate results on a variety of interaction-induced phases, including the exciton Bose-Einstein condensate, electron-hole superconductor, and bilayer Wigner crystal. Our study demonstrates the potential of physically-motivated neural network wavefunctions for quantum materials simulations.

How to reduce compute and memory requirements of neural networks (NNs) without sacrificing performance? Many recent works use sparse Mixtures of Experts (MoEs) to build resource-efficient large language models (LMs). Here we introduce several novel perspectives on MoEs, presenting a general framework that unifies various methods to approximate two-layer NNs (e.g., feedforward blocks of Transformers), including product-key memories (PKMs). Leveraging insights from this framework, we propose methods to improve both MoEs and PKMs. Unlike prior work that compares MoEs with dense baselines under the compute-equal condition, our evaluation condition is parameter-equal, which is crucial to properly evaluate LMs. We show that our MoEs are competitive with the dense Transformer-XL on both the WikiText-103 and enwiki8 datasets at two different scales, while being much more resource efficient. This demonstrates that MoEs are relevant not only to extremely large LMs but also to any-scale resource-efficient LMs. Our code is public.

This paper introduces an innovative task focused on editing the personality traits of Large Language Models (LLMs). This task seeks to adjust the models' responses to opinion-related questions on specified topics since an individual's personality often manifests in the form of their expressed opinions, thereby showcasing different personality traits. Specifically, we construct a new benchmark dataset PersonalityEdit to address this task. Drawing on the theory in Social Psychology, we isolate three representative traits, namely Neuroticism, Extraversion, and Agreeableness, as the foundation for our benchmark. We then gather data using GPT-4, generating responses that not only align with a specified topic but also embody the targeted personality trait. We conduct comprehensive experiments involving various baselines and discuss the representation of personality behavior in LLMs. Our intriguing findings uncover potential challenges of the proposed task, illustrating several remaining issues. We anticipate that our work can provide the NLP community with insights. Code and datasets will be released at https://github.com/zjunlp/EasyEdit.

As the cost associated with fine-tuning Large Language Models (LLMs) continues to rise, recent research efforts have pivoted towards developing methodologies to edit implicit knowledge embedded within LLMs. Yet, there's still a dark cloud lingering overhead -- will knowledge editing trigger butterfly effect? since it is still unclear whether knowledge editing might introduce side effects that pose potential risks or not. This paper pioneers the investigation into the potential pitfalls associated with knowledge editing for LLMs. To achieve this, we introduce new benchmark datasets and propose innovative evaluation metrics. Our results underline two pivotal concerns: (1) Knowledge Conflict: Editing groups of facts that logically clash can magnify the inherent inconsistencies in LLMs-a facet neglected by previous methods. (2) Knowledge Distortion: Altering parameters with the aim of editing factual knowledge can irrevocably warp the innate knowledge structure of LLMs. Experimental results vividly demonstrate that knowledge editing might inadvertently cast a shadow of unintended consequences on LLMs, which warrant attention and efforts for future works. Code is available at https://github.com/zjunlp/PitfallsKnowledgeEditing.

Model extraction attacks are designed to steal trained models with only query access, as is often provided through APIs that ML-as-a-Service providers offer. ML models are expensive to train, in part because data is hard to obtain, and a primary incentive for model extraction is to acquire a model while incurring less cost than training from scratch. Literature on model extraction commonly claims or presumes that the attacker is able to save on both data acquisition and labeling costs. We show that the attacker often does not. This is because current attacks implicitly rely on the adversary being able to sample from the victim model's data distribution. We thoroughly evaluate factors influencing the success of model extraction. We discover that prior knowledge of the attacker, i.e. access to in-distribution data, dominates other factors like the attack policy the adversary follows to choose which queries to make to the victim model API. Thus, an adversary looking to develop an equally capable model with a fixed budget has little practical incentive to perform model extraction, since for the attack to work they need to collect in-distribution data, saving only on the cost of labeling. With low labeling costs in the current market, the usefulness of such attacks is questionable. Ultimately, we demonstrate that the effect of prior knowledge needs to be explicitly decoupled from the attack policy. To this end, we propose a benchmark to evaluate attack policy directly.

Large language models (LLMs) demonstrate promising translation performance among various natural languages. However, many LLMs especially the open-sourced ones, such as BLOOM and LLaMA, are English-dominant and support only dozens of natural languages, making the potential of LLMs on language translation less explored. In this work, we present BigTranslate which adapts LLaMA that covers only 20 languages and enhances it with multilingual translation capability on more than 100 languages. BigTranslate is built upon LLaMA-13B and it is optimized in three steps. First, we continue training LLaMA with massive Chinese monolingual data. Second, we continue training the model with a large-scale parallel dataset that covers 102 natural languages. Third, we instruct-tune the foundation model with multilingual translation instructions, leading to our BigTranslate model. The preliminary experiments on multilingual translation show that BigTranslate performs comparably with ChatGPT and Google Translate in many languages and even outperforms ChatGPT in 8 language pairs. We release the BigTranslate model and hope it can advance the research progress.

Transformers have achieved remarkable performance in widespread fields, including natural language processing, computer vision and graph mining. However, vanilla Transformer architectures have not yielded promising improvements in the Knowledge Graph (KG) representations, where the translational distance paradigm dominates this area. Note that vanilla Transformer architectures struggle to capture the intrinsically heterogeneous structural and semantic information of knowledge graphs. To this end, we propose a new variant of Transformer for knowledge graph representations dubbed Relphormer. Specifically, we introduce Triple2Seq which can dynamically sample contextualized sub-graph sequences as the input to alleviate the heterogeneity issue. We propose a novel structure-enhanced self-attention mechanism to encode the relational information and keep the semantic information within entities and relations. Moreover, we utilize masked knowledge modeling for general knowledge graph representation learning, which can be applied to various KG-based tasks including knowledge graph completion, question answering, and recommendation. Experimental results on six datasets show that Relphormer can obtain better performance compared with baselines. Code is available in https://github.com/zjunlp/Relphormer.