Daily Papers

The weight matrix (WM) of a neural network (NN) is its program. The programs of many traditional NNs are learned through gradient descent in some error function, then remain fixed. The WM of a self-referential NN, however, can keep rapidly modifying all of itself during runtime. In principle, such NNs can meta-learn to learn, and meta-meta-learn to meta-learn to learn, and so on, in the sense of recursive self-improvement. While NN architectures potentially capable of implementing such behaviour have been proposed since the '90s, there have been few if any practical studies. Here we revisit such NNs, building upon recent successes of fast weight programmers and closely related linear Transformers. We propose a scalable self-referential WM (SRWM) that learns to use outer products and the delta update rule to modify itself. We evaluate our SRWM in supervised few-shot learning and in multi-task reinforcement learning with procedurally generated game environments. Our experiments demonstrate both practical applicability and competitive performance of the proposed SRWM. Our code is public.

Many patterns in nature exhibit self-similarity: they can be compactly described via self-referential transformations. Said patterns commonly appear in natural and artificial objects, such as molecules, shorelines, galaxies and even images. In this work, we investigate the role of learning in the automated discovery of self-similarity and in its utilization for downstream tasks. To this end, we design a novel class of implicit operators, Neural Collages, which (1) represent data as the parameters of a self-referential, structured transformation, and (2) employ hypernetworks to amortize the cost of finding these parameters to a single forward pass. We investigate how to leverage the representations produced by Neural Collages in various tasks, including data compression and generation. Neural Collages image compressors are orders of magnitude faster than other self-similarity-based algorithms during encoding and offer compression rates competitive with implicit methods. Finally, we showcase applications of Neural Collages for fractal art and as deep generative models.

One of the primary driving forces contributing to the superior performance of Large Language Models (LLMs) is the extensive availability of human-annotated natural language data, which is used for alignment fine-tuning. This inspired researchers to investigate self-training methods to mitigate the extensive reliance on human annotations. However, the current success of self-training has been primarily observed in natural language scenarios, rather than in the increasingly important neural-symbolic scenarios. To this end, we propose an environment-guided neural-symbolic self-training framework named ENVISIONS. It aims to overcome two main challenges: (1) the scarcity of symbolic data, and (2) the limited proficiency of LLMs in processing symbolic language. Extensive evaluations conducted on three distinct domains demonstrate the effectiveness of our approach. Additionally, we have conducted a comprehensive analysis to uncover the factors contributing to ENVISIONS's success, thereby offering valuable insights for future research in this area. Code will be available at https://github.com/xufangzhi/ENVISIONS.

Large language models (LLMs) have attracted significant attention for their remarkable abilities in various natural language processing tasks, but they suffer from hallucinations that will cause performance degradation. One promising solution to improve the LLMs' performance is to ask LLMs to revise their answer after generation, a technique known as self-correction. Among the two types of self-correction, intrinsic self-correction is considered a promising direction because it does not utilize external knowledge. However, recent works doubt the validity of LLM's ability to conduct intrinsic self-correction. In this paper, we present a novel perspective on the intrinsic self-correction capabilities of LLMs through theoretical analyses and empirical experiments. In addition, we identify two critical factors for successful self-correction: zero temperature and fair prompts. Leveraging these factors, we demonstrate that intrinsic self-correction ability is exhibited across multiple existing LLMs. Our findings offer insights into the fundamental theories underlying the self-correction behavior of LLMs and remark on the importance of unbiased prompts and zero temperature settings in harnessing their full potential.

We generalize deep self-attention distillation in MiniLM (Wang et al., 2020) by only using self-attention relation distillation for task-agnostic compression of pretrained Transformers. In particular, we define multi-head self-attention relations as scaled dot-product between the pairs of query, key, and value vectors within each self-attention module. Then we employ the above relational knowledge to train the student model. Besides its simplicity and unified principle, more favorably, there is no restriction in terms of the number of student's attention heads, while most previous work has to guarantee the same head number between teacher and student. Moreover, the fine-grained self-attention relations tend to fully exploit the interaction knowledge learned by Transformer. In addition, we thoroughly examine the layer selection strategy for teacher models, rather than just relying on the last layer as in MiniLM. We conduct extensive experiments on compressing both monolingual and multilingual pretrained models. Experimental results demonstrate that our models distilled from base-size and large-size teachers (BERT, RoBERTa and XLM-R) outperform the state-of-the-art.

Large language models (LLMs) are expected to respond accurately but often exhibit deficient reasoning or generate hallucinatory content. To address these, studies prefixed with ``Self-'' such as Self-Consistency, Self-Improve, and Self-Refine have been initiated. They share a commonality: involving LLMs evaluating and updating itself to mitigate the issues. Nonetheless, these efforts lack a unified perspective on summarization, as existing surveys predominantly focus on categorization without examining the motivations behind these works. In this paper, we summarize a theoretical framework, termed Internal Consistency, which offers unified explanations for phenomena such as the lack of reasoning and the presence of hallucinations. Internal Consistency assesses the coherence among LLMs' latent layer, decoding layer, and response layer based on sampling methodologies. Expanding upon the Internal Consistency framework, we introduce a streamlined yet effective theoretical framework capable of mining Internal Consistency, named Self-Feedback. The Self-Feedback framework consists of two modules: Self-Evaluation and Self-Update. This framework has been employed in numerous studies. We systematically classify these studies by tasks and lines of work; summarize relevant evaluation methods and benchmarks; and delve into the concern, ``Does Self-Feedback Really Work?'' We propose several critical viewpoints, including the ``Hourglass Evolution of Internal Consistency'', ``Consistency Is (Almost) Correctness'' hypothesis, and ``The Paradox of Latent and Explicit Reasoning''. Furthermore, we outline promising directions for future research. We have open-sourced the experimental code, reference list, and statistical data, available at https://github.com/IAAR-Shanghai/ICSFSurvey.

In self-supervised learning, a system is tasked with achieving a surrogate objective by defining alternative targets on a set of unlabeled data. The aim is to build useful representations that can be used in downstream tasks, without costly manual annotation. In this work, we propose a novel self-supervised formulation of relational reasoning that allows a learner to bootstrap a signal from information implicit in unlabeled data. Training a relation head to discriminate how entities relate to themselves (intra-reasoning) and other entities (inter-reasoning), results in rich and descriptive representations in the underlying neural network backbone, which can be used in downstream tasks such as classification and image retrieval. We evaluate the proposed method following a rigorous experimental procedure, using standard datasets, protocols, and backbones. Self-supervised relational reasoning outperforms the best competitor in all conditions by an average 14% in accuracy, and the most recent state-of-the-art model by 3%. We link the effectiveness of the method to the maximization of a Bernoulli log-likelihood, which can be considered as a proxy for maximizing the mutual information, resulting in a more efficient objective with respect to the commonly used contrastive losses.

In various fields of knowledge creation, including science, new ideas often build on pre-existing information. In this work, we explore this concept within the context of language models. Specifically, we explore the potential of self-training models on their own outputs, akin to how humans learn and build on their previous thoughts and actions. While this approach is intuitively appealing, our research reveals its practical limitations. We find that extended self-training of the GPT-2 model leads to a significant degradation in performance, resulting in repetitive and collapsed token output.

In this paper, we present a novel approach for incorporating external knowledge in Recurrent Neural Networks (RNNs). We propose the integration of lexicon features into the self-attention mechanism of RNN-based architectures. This form of conditioning on the attention distribution, enforces the contribution of the most salient words for the task at hand. We introduce three methods, namely attentional concatenation, feature-based gating and affine transformation. Experiments on six benchmark datasets show the effectiveness of our methods. Attentional feature-based gating yields consistent performance improvement across tasks. Our approach is implemented as a simple add-on module for RNN-based models with minimal computational overhead and can be adapted to any deep neural architecture.

Large Language Models (LLMs) have showcased remarkable versatility across diverse domains. However, the pathway toward autonomous model development, a cornerstone for achieving human-level learning and advancing autonomous AI, remains largely uncharted. We introduce an innovative approach, termed "SELF" (Self-Evolution with Language Feedback). This methodology empowers LLMs to undergo continual self-evolution. Furthermore, SELF employs language-based feedback as a versatile and comprehensive evaluative tool, pinpointing areas for response refinement and bolstering the stability of self-evolutionary training. Initiating with meta-skill learning, SELF acquires foundational meta-skills with a focus on self-feedback and self-refinement. These meta-skills are critical, guiding the model's subsequent self-evolution through a cycle of perpetual training with self-curated data, thereby enhancing its intrinsic abilities. Given unlabeled instructions, SELF equips the model with the capability to autonomously generate and interactively refine responses. This synthesized training data is subsequently filtered and utilized for iterative fine-tuning, enhancing the model's capabilities. Experimental results on representative benchmarks substantiate that SELF can progressively advance its inherent abilities without the requirement of human intervention, thereby indicating a viable pathway for autonomous model evolution. Additionally, SELF can employ online self-refinement strategy to produce responses of superior quality. In essence, the SELF framework signifies a progressive step towards autonomous LLM development, transforming the LLM from a mere passive recipient of information into an active participant in its own evolution.

Language models often pre-train on large unsupervised text corpora, then fine-tune on additional task-specific data. However, typical fine-tuning schemes do not prioritize the examples that they tune on. We show that, if you can prioritize informative training data, you can achieve better performance while using fewer labels. To do this we augment a language model with an epinet: a small additional network that helps to estimate model uncertainty and forms an epistemic neural network (ENN). ENNs are neural networks that can know what they don't know. Using an epinet to prioritize uncertain data, we can fine-tune BERT on GLUE tasks to the same performance while using 2x less data than training without prioritization. We also investigate performance in synthetic neural network generative models designed to build understanding. In each setting, using an epinet outperforms heuristic active learning schemes.

Click-through rate (CTR) prediction, which aims to predict the probability of a user clicking on an ad or an item, is critical to many online applications such as online advertising and recommender systems. The problem is very challenging since (1) the input features (e.g., the user id, user age, item id, item category) are usually sparse and high-dimensional, and (2) an effective prediction relies on high-order combinatorial features (a.k.a. cross features), which are very time-consuming to hand-craft by domain experts and are impossible to be enumerated. Therefore, there have been efforts in finding low-dimensional representations of the sparse and high-dimensional raw features and their meaningful combinations. In this paper, we propose an effective and efficient method called the AutoInt to automatically learn the high-order feature interactions of input features. Our proposed algorithm is very general, which can be applied to both numerical and categorical input features. Specifically, we map both the numerical and categorical features into the same low-dimensional space. Afterwards, a multi-head self-attentive neural network with residual connections is proposed to explicitly model the feature interactions in the low-dimensional space. With different layers of the multi-head self-attentive neural networks, different orders of feature combinations of input features can be modeled. The whole model can be efficiently fit on large-scale raw data in an end-to-end fashion. Experimental results on four real-world datasets show that our proposed approach not only outperforms existing state-of-the-art approaches for prediction but also offers good explainability. Code is available at: https://github.com/DeepGraphLearning/RecommenderSystems.

Few-shot NER needs to effectively capture information from limited instances and transfer useful knowledge from external resources. In this paper, we propose a self-describing mechanism for few-shot NER, which can effectively leverage illustrative instances and precisely transfer knowledge from external resources by describing both entity types and mentions using a universal concept set. Specifically, we design Self-describing Networks (SDNet), a Seq2Seq generation model which can universally describe mentions using concepts, automatically map novel entity types to concepts, and adaptively recognize entities on-demand. We pre-train SDNet with large-scale corpus, and conduct experiments on 8 benchmarks from different domains. Experiments show that SDNet achieves competitive performances on all benchmarks and achieves the new state-of-the-art on 6 benchmarks, which demonstrates its effectiveness and robustness.

Self-supervised learning (SSL) for graph neural networks (GNNs) has attracted increasing attention from the graph machine learning community in recent years, owing to its capability to learn performant node embeddings without costly label information. One weakness of conventional SSL frameworks for GNNs is that they learn through a single philosophy, such as mutual information maximization or generative reconstruction. When applied to various downstream tasks, these frameworks rarely perform equally well for every task, because one philosophy may not span the extensive knowledge required for all tasks. To enhance the task generalization across tasks, as an important first step forward in exploring fundamental graph models, we introduce PARETOGNN, a multi-task SSL framework for node representation learning over graphs. Specifically, PARETOGNN is self-supervised by manifold pretext tasks observing multiple philosophies. To reconcile different philosophies, we explore a multiple-gradient descent algorithm, such that PARETOGNN actively learns from every pretext task while minimizing potential conflicts. We conduct comprehensive experiments over four downstream tasks (i.e., node classification, node clustering, link prediction, and partition prediction), and our proposal achieves the best overall performance across tasks on 11 widely adopted benchmark datasets. Besides, we observe that learning from multiple philosophies enhances not only the task generalization but also the single task performances, demonstrating that PARETOGNN achieves better task generalization via the disjoint yet complementary knowledge learned from different philosophies. Our code is publicly available at https://github.com/jumxglhf/ParetoGNN.

Music relies heavily on repetition to build structure and meaning. Self-reference occurs on multiple timescales, from motifs to phrases to reusing of entire sections of music, such as in pieces with ABA structure. The Transformer (Vaswani et al., 2017), a sequence model based on self-attention, has achieved compelling results in many generation tasks that require maintaining long-range coherence. This suggests that self-attention might also be well-suited to modeling music. In musical composition and performance, however, relative timing is critically important. Existing approaches for representing relative positional information in the Transformer modulate attention based on pairwise distance (Shaw et al., 2018). This is impractical for long sequences such as musical compositions since their memory complexity for intermediate relative information is quadratic in the sequence length. We propose an algorithm that reduces their intermediate memory requirement to linear in the sequence length. This enables us to demonstrate that a Transformer with our modified relative attention mechanism can generate minute-long compositions (thousands of steps, four times the length modeled in Oore et al., 2018) with compelling structure, generate continuations that coherently elaborate on a given motif, and in a seq2seq setup generate accompaniments conditioned on melodies. We evaluate the Transformer with our relative attention mechanism on two datasets, JSB Chorales and Piano-e-Competition, and obtain state-of-the-art results on the latter.

We study self-rewarding reasoning large language models (LLMs), which can simultaneously generate step-by-step reasoning and evaluate the correctness of their outputs during the inference time-without external feedback. This integrated approach allows a single model to independently guide its reasoning process, offering computational advantages for model deployment. We particularly focus on the representative task of self-correction, where models autonomously detect errors in their responses, revise outputs, and decide when to terminate iterative refinement loops. To enable this, we propose a two-staged algorithmic framework for constructing self-rewarding reasoning models using only self-generated data. In the first stage, we employ sequential rejection sampling to synthesize long chain-of-thought trajectories that incorporate both self-rewarding and self-correction mechanisms. Fine-tuning models on these curated data allows them to learn the patterns of self-rewarding and self-correction. In the second stage, we further enhance the models' ability to assess response accuracy and refine outputs through reinforcement learning with rule-based signals. Experiments with Llama-3 and Qwen-2.5 demonstrate that our approach surpasses intrinsic self-correction capabilities and achieves performance comparable to systems that rely on external reward models.

Like humans, large language models (LLMs) do not always generate the best output on their first try. Motivated by how humans refine their written text, we introduce Self-Refine, an approach for improving initial outputs from LLMs through iterative feedback and refinement. The main idea is to generate an initial output using an LLMs; then, the same LLMs provides feedback for its output and uses it to refine itself, iteratively. Self-Refine does not require any supervised training data, additional training, or reinforcement learning, and instead uses a single LLM as the generator, refiner, and feedback provider. We evaluate Self-Refine across 7 diverse tasks, ranging from dialog response generation to mathematical reasoning, using state-of-the-art (GPT-3.5, ChatGPT, and GPT-4) LLMs. Across all evaluated tasks, outputs generated with Self-Refine are preferred by humans and automatic metrics over those generated with the same LLM using conventional one-step generation, improving by ~20% absolute on average in task performance. Our work demonstrates that even state-of-the-art LLMs like GPT-4 can be further improved at test time using our simple, standalone approach.

Recent works have demonstrated the effectiveness of self-alignment in which a large language model is, by itself, aligned to follow general instructions through the automatic generation of instructional data using a handful of human-written seeds. Instead of general alignment, in this work, we focus on self-alignment for expert domain specialization (e.g., biomedicine), discovering it to be very effective for improving zero-shot and few-shot performance in target domains of interest. As a preliminary, we first present the benchmark results of existing aligned models within a specialized domain, which reveals the marginal effect that "generic" instruction-following training has on downstream expert domains' performance. To remedy this, we explore self-specialization that leverages domain-specific unlabelled data and a few labeled seeds for the self-alignment process. When augmented with retrieval to reduce hallucination and enhance concurrency of the alignment, self-specialization offers an effective (and efficient) way of "carving out" an expert model out of a "generalist", pre-trained LLM where different domains of expertise are originally combined in a form of "superposition". Our experimental results on a biomedical domain show that our self-specialized model (30B) outperforms its base model, MPT-30B by a large margin and even surpasses larger popular models based on LLaMA-65B, highlighting its potential and practicality for specialization, especially considering its efficiency in terms of data and parameters.

Self-replication is a key aspect of biological life that has been largely overlooked in Artificial Intelligence systems. Here we describe how to build and train self-replicating neural networks. The network replicates itself by learning to output its own weights. The network is designed using a loss function that can be optimized with either gradient-based or non-gradient-based methods. We also describe a method we call regeneration to train the network without explicit optimization, by injecting the network with predictions of its own parameters. The best solution for a self-replicating network was found by alternating between regeneration and optimization steps. Finally, we describe a design for a self-replicating neural network that can solve an auxiliary task such as MNIST image classification. We observe that there is a trade-off between the network's ability to classify images and its ability to replicate, but training is biased towards increasing its specialization at image classification at the expense of replication. This is analogous to the trade-off between reproduction and other tasks observed in nature. We suggest that a self-replication mechanism for artificial intelligence is useful because it introduces the possibility of continual improvement through natural selection.

Self-evaluation using large language models (LLMs) has proven valuable not only in benchmarking but also methods like reward modeling, constitutional AI, and self-refinement. But new biases are introduced due to the same LLM acting as both the evaluator and the evaluatee. One such bias is self-preference, where an LLM evaluator scores its own outputs higher than others' while human annotators consider them of equal quality. But do LLMs actually recognize their own outputs when they give those texts higher scores, or is it just a coincidence? In this paper, we investigate if self-recognition capability contributes to self-preference. We discover that, out of the box, LLMs such as GPT-4 and Llama 2 have non-trivial accuracy at distinguishing themselves from other LLMs and humans. By fine-tuning LLMs, we discover a linear correlation between self-recognition capability and the strength of self-preference bias; using controlled experiments, we show that the causal explanation resists straightforward confounders. We discuss how self-recognition can interfere with unbiased evaluations and AI safety more generally.

Large language models (LLMs) have demonstrated impressive performance on several tasks and are increasingly deployed in real-world applications. However, especially in high-stakes settings, it becomes vital to know when the output of an LLM may be unreliable. Depending on whether an answer is trustworthy, a system can then choose to route the question to another expert, or otherwise fall back on a safe default behavior. In this work, we study the extent to which LLMs can reliably indicate confidence in their answers, and how this notion of confidence can translate into downstream accuracy gains. We propose Self-REF, a lightweight training strategy to teach LLMs to express confidence in whether their answers are correct in a reliable manner. Self-REF introduces confidence tokens into the LLM, from which a confidence score can be extracted. Compared to conventional approaches such as verbalizing confidence and examining token probabilities, we demonstrate empirically that confidence tokens show significant improvements in downstream routing and rejection learning tasks.

In living organisms, homeostasis is the natural regulation of internal states aimed at maintaining conditions compatible with life. Typical artificial systems are not equipped with comparable regulatory features. Here, we introduce an artificial neural network that incorporates homeostatic features. Its own computing substrate is placed in a needful and vulnerable relation to the very objects over which it computes. For example, artificial neurons performing classification of MNIST digits or Fashion-MNIST articles of clothing may receive excitatory or inhibitory effects, which alter their own learning rate as a direct result of perceiving and classifying the digits. In this scenario, accurate recognition is desirable to the agent itself because it guides decisions to regulate its vulnerable internal states and functionality. Counterintuitively, the addition of vulnerability to a learner does not necessarily impair its performance. On the contrary, self-regulation in response to vulnerability confers benefits under certain conditions. We show that homeostatic design confers increased adaptability under concept shift, in which the relationships between labels and data change over time, and that the greatest advantages are obtained under the highest rates of shift. This necessitates the rapid un-learning of past associations and the re-learning of new ones. We also demonstrate the superior abilities of homeostatic learners in environments with dynamically changing rates of concept shift. Our homeostatic design exposes the artificial neural network's thinking machinery to the consequences of its own "thoughts", illustrating the advantage of putting one's own "skin in the game" to improve fluid intelligence.

We propose Scalable Mechanistic Neural Network (S-MNN), an enhanced neural network framework designed for scientific machine learning applications involving long temporal sequences. By reformulating the original Mechanistic Neural Network (MNN) (Pervez et al., 2024), we reduce the computational time and space complexities from cubic and quadratic with respect to the sequence length, respectively, to linear. This significant improvement enables efficient modeling of long-term dynamics without sacrificing accuracy or interpretability. Extensive experiments demonstrate that S-MNN matches the original MNN in precision while substantially reducing computational resources. Consequently, S-MNN can drop-in replace the original MNN in applications, providing a practical and efficient tool for integrating mechanistic bottlenecks into neural network models of complex dynamical systems.

Humans possess the ability to draw on past experiences explicitly when learning new tasks and applying them accordingly. We believe this capacity for self-referencing is especially advantageous for reinforcement learning agents in the unsupervised pretrain-then-finetune setting. During pretraining, an agent's past experiences can be explicitly utilized to mitigate the nonstationarity of intrinsic rewards. In the finetuning phase, referencing historical trajectories prevents the unlearning of valuable exploratory behaviors. Motivated by these benefits, we propose the Self-Reference (SR) approach, an add-on module explicitly designed to leverage historical information and enhance agent performance within the pretrain-finetune paradigm. Our approach achieves state-of-the-art results in terms of Interquartile Mean (IQM) performance and Optimality Gap reduction on the Unsupervised Reinforcement Learning Benchmark for model-free methods, recording an 86% IQM and a 16% Optimality Gap. Additionally, it improves current algorithms by up to 17% IQM and reduces the Optimality Gap by 31%. Beyond performance enhancement, the Self-Reference add-on also increases sample efficiency, a crucial attribute for real-world applications.

We present our submission to the WMT18 Multimodal Translation Task. The main feature of our submission is applying a self-attentive network instead of a recurrent neural network. We evaluate two methods of incorporating the visual features in the model: first, we include the image representation as another input to the network; second, we train the model to predict the visual features and use it as an auxiliary objective. For our submission, we acquired both textual and multimodal additional data. Both of the proposed methods yield significant improvements over recurrent networks and self-attentive textual baselines.

Neural Module Networks, originally proposed for the task of visual question answering, are a class of neural network architectures that involve human-specified neural modules, each designed for a specific form of reasoning. In current formulations of such networks only the parameters of the neural modules and/or the order of their execution is learned. In this work, we further expand this approach and also learn the underlying internal structure of modules in terms of the ordering and combination of simple and elementary arithmetic operators. Our results show that one is indeed able to simultaneously learn both internal module structure and module sequencing without extra supervisory signals for module execution sequencing. With this approach, we report performance comparable to models using hand-designed modules.

Recursive Neural Networks (RvNNs), which compose sequences according to their underlying hierarchical syntactic structure, have performed well in several natural language processing tasks compared to similar models without structural biases. However, traditional RvNNs are incapable of inducing the latent structure in a plain text sequence on their own. Several extensions have been proposed to overcome this limitation. Nevertheless, these extensions tend to rely on surrogate gradients or reinforcement learning at the cost of higher bias or variance. In this work, we propose Continuous Recursive Neural Network (CRvNN) as a backpropagation-friendly alternative to address the aforementioned limitations. This is done by incorporating a continuous relaxation to the induced structure. We demonstrate that CRvNN achieves strong performance in challenging synthetic tasks such as logical inference and ListOps. We also show that CRvNN performs comparably or better than prior latent structure models on real-world tasks such as sentiment analysis and natural language inference.

Humans can learn incrementally, whereas neural networks forget previously acquired information catastrophically. Continual Learning (CL) approaches seek to bridge this gap by facilitating the transfer of knowledge to both previous tasks (backward transfer) and future ones (forward transfer) during training. Recent research has shown that self-supervision can produce versatile models that can generalize well to diverse downstream tasks. However, contrastive self-supervised learning (CSSL), a popular self-supervision technique, has limited effectiveness in online CL (OCL). OCL only permits one iteration of the input dataset, and CSSL's low sample efficiency hinders its use on the input data-stream. In this work, we propose Continual Learning via Equivariant Regularization (CLER), an OCL approach that leverages equivariant tasks for self-supervision, avoiding CSSL's limitations. Our method represents the first attempt at combining equivariant knowledge with CL and can be easily integrated with existing OCL methods. Extensive ablations shed light on how equivariant pretext tasks affect the network's information flow and its impact on CL dynamics.

Pretext-based self-supervised learning learns the semantic representation via a handcrafted pretext task over unlabeled data and then uses the learned representation for downstream tasks, which effectively reduces the sample complexity of downstream tasks under Conditional Independence (CI) condition. However, the downstream sample complexity gets much worse if the CI condition does not hold. One interesting question is whether we can make the CI condition hold by using downstream data to refine the unlabeled data to boost self-supervised learning. At first glance, one might think that seeing downstream data in advance would always boost the downstream performance. However, we show that it is not intuitively true and point out that in some cases, it hurts the final performance instead. In particular, we prove both model-free and model-dependent lower bounds of the number of downstream samples used for data refinement. Moreover, we conduct various experiments on both synthetic and real-world datasets to verify our theoretical results.

Attention mechanisms have improved the performance of NLP tasks while allowing models to remain explainable. Self-attention is currently widely used, however interpretability is difficult due to the numerous attention distributions. Recent work has shown that model representations can benefit from label-specific information, while facilitating interpretation of predictions. We introduce the Label Attention Layer: a new form of self-attention where attention heads represent labels. We test our novel layer by running constituency and dependency parsing experiments and show our new model obtains new state-of-the-art results for both tasks on both the Penn Treebank (PTB) and Chinese Treebank. Additionally, our model requires fewer self-attention layers compared to existing work. Finally, we find that the Label Attention heads learn relations between syntactic categories and show pathways to analyze errors.

Self-correction is a novel method that can stimulate the potential reasoning abilities of large language models (LLMs). It involves detecting and correcting errors during the inference process when LLMs solve reasoning problems. However, recent works do not regard self-correction as a spontaneous and intrinsic capability of LLMs. Instead, such correction is achieved through post-hoc generation, external knowledge introduction, multi-model collaboration, and similar techniques. In this paper, we propose a series of mathematical LLMs called S^3c-Math, which are able to perform Spontaneous Step-level Self-correction for Mathematical reasoning. This capability helps LLMs to recognize whether their ongoing inference tends to contain errors and simultaneously correct these errors to produce a more reliable response. We proposed a method, which employs a step-level sampling approach to construct step-wise self-correction data for achieving such ability. Additionally, we implement a training strategy that uses above constructed data to equip LLMs with spontaneous step-level self-correction capacities. Our data and methods have been demonstrated to be effective across various foundation LLMs, consistently showing significant progress in evaluations on GSM8K, MATH, and other mathematical benchmarks. To the best of our knowledge, we are the first to introduce the spontaneous step-level self-correction ability of LLMs in mathematical reasoning.

The initial state of neural networks plays a central role in conditioning the subsequent training dynamics. In the context of classification problems, we provide a theoretical analysis demonstrating that the structure of a neural network can condition the model to assign all predictions to the same class, even before the beginning of training, and in the absence of explicit biases. We show that the presence of this phenomenon, which we call "Initial Guessing Bias" (IGB), depends on architectural choices such as activation functions, max-pooling layers, and network depth. Our analysis of IGB has practical consequences, in that it guides architecture selection and initialization. We also highlight theoretical consequences, such as the breakdown of node-permutation symmetry, the violation of self-averaging, the validity of some mean-field approximations, and the non-trivial differences arising with depth.

Self-correction has emerged as a promising solution to boost the reasoning performance of large language models (LLMs), where LLMs refine their solutions using self-generated critiques that pinpoint the errors. This work explores whether smaller-size (<= 13B) language models (LMs) have the ability of self-correction on reasoning tasks with minimal inputs from stronger LMs. We propose a novel pipeline that prompts smaller LMs to collect self-correction data that supports the training of self-refinement abilities. First, we leverage correct solutions to guide the model in critiquing their incorrect responses. Second, the generated critiques, after filtering, are used for supervised fine-tuning of the self-correcting reasoner through solution refinement. Our experimental results show improved self-correction abilities of two models on five datasets spanning math and commonsense reasoning, with notable performance gains when paired with a strong GPT-4-based verifier, though limitations are identified when using a weak self-verifier for determining when to correct.

Analogical reasoning is a unique ability of humans to address unfamiliar challenges by transferring strategies from relevant past experiences. One key finding in psychology is that compared with irrelevant past experiences, recalling relevant ones can help humans better handle new tasks. Coincidentally, the NLP community has also recently found that self-generating relevant examples in the context can help large language models (LLMs) better solve a given problem than hand-crafted prompts. However, it is yet not clear whether relevance is the key factor eliciting such capability, i.e., can LLMs benefit more from self-generated relevant examples than irrelevant ones? In this work, we systematically explore whether LLMs can truly perform analogical reasoning on a diverse set of reasoning tasks. With extensive experiments and analysis, we show that self-generated random examples can surprisingly achieve comparable or even better performance, e.g., 4% performance boost on GSM8K with random biological examples. We find that the accuracy of self-generated examples is the key factor and subsequently design two improved methods with significantly reduced inference costs. Overall, we aim to advance a deeper understanding of LLM analogical reasoning and hope this work stimulates further research in the design of self-generated contexts.

This work presents a graph neural network (GNN) framework for solving the maximum independent set (MIS) problem, inspired by dynamic programming (DP). Specifically, given a graph, we propose a DP-like recursive algorithm based on GNNs that firstly constructs two smaller sub-graphs, predicts the one with the larger MIS, and then uses it in the next recursive call. To train our algorithm, we require annotated comparisons of different graphs concerning their MIS size. Annotating the comparisons with the output of our algorithm leads to a self-training process that results in more accurate self-annotation of the comparisons and vice versa. We provide numerical evidence showing the superiority of our method vs prior methods in multiple synthetic and real-world datasets.

Instruction-tuned large language models (LLMs) excel at many tasks, and will even provide explanations for their behavior. Since these models are directly accessible to the public, there is a risk that convincing and wrong explanations can lead to unsupported confidence in LLMs. Therefore, interpretability-faithfulness of self-explanations is an important consideration for AI Safety. Assessing the interpretability-faithfulness of these explanations, termed self-explanations, is challenging as the models are too complex for humans to annotate what is a correct explanation. To address this, we propose employing self-consistency checks as a measure of faithfulness. For example, if an LLM says a set of words is important for making a prediction, then it should not be able to make the same prediction without these words. While self-consistency checks are a common approach to faithfulness, they have not previously been applied to LLM's self-explanations. We apply self-consistency checks to three types of self-explanations: counterfactuals, importance measures, and redactions. Our work demonstrate that faithfulness is both task and model dependent, e.g., for sentiment classification, counterfactual explanations are more faithful for Llama2, importance measures for Mistral, and redaction for Falcon 40B. Finally, our findings are robust to prompt-variations.

Incorporating natural language rationales in the prompt and In-Context Learning (ICL) has led to a significant improvement of Large Language Models (LLMs) performance. However, rationales currently require human-annotation or the use of auxiliary proxy models to target promising samples or generate high-quality rationales. In this work, we propose Self-AMPLIFY to generate automatically rationales from post hoc explanation methods applied to Small Language Models (SLMs) to improve their own performance. Self-AMPLIFY is a 3-step method that targets samples, generates rationales and builds a final prompt to leverage ICL. Self-AMPLIFY performance is evaluated on two SLMs and two datasets requiring reasoning abilities: these experiments show that Self-AMPLIFY achieves good results against competitors. Self-AMPLIFY is the first method to apply post hoc explanation methods to SLM to generate rationales to improve their own performance in a fully automated manner.

We introduce a new test of how well language models capture meaning in children's books. Unlike standard language modelling benchmarks, it distinguishes the task of predicting syntactic function words from that of predicting lower-frequency words, which carry greater semantic content. We compare a range of state-of-the-art models, each with a different way of encoding what has been previously read. We show that models which store explicit representations of long-term contexts outperform state-of-the-art neural language models at predicting semantic content words, although this advantage is not observed for syntactic function words. Interestingly, we find that the amount of text encoded in a single memory representation is highly influential to the performance: there is a sweet-spot, not too big and not too small, between single words and full sentences that allows the most meaningful information in a text to be effectively retained and recalled. Further, the attention over such window-based memories can be trained effectively through self-supervision. We then assess the generality of this principle by applying it to the CNN QA benchmark, which involves identifying named entities in paraphrased summaries of news articles, and achieve state-of-the-art performance.

Self-correction is a highly desirable capability of large language models (LLMs), yet it has consistently been found to be largely ineffective in modern LLMs. Existing approaches for training self-correction either require multiple models or rely on a more capable model or other forms of supervision. To this end, we develop a multi-turn online reinforcement learning (RL) approach, SCoRe, that significantly improves an LLM's self-correction ability using entirely self-generated data. To build SCoRe, we first show that variants of supervised fine-tuning (SFT) on offline model-generated correction traces are insufficient for instilling self-correction behavior. In particular, we observe that training via SFT either suffers from a distribution mismatch between the training data and the model's own responses or implicitly prefers only a certain mode of correction behavior that is often not effective at test time. SCoRe addresses these challenges by training under the model's own distribution of self-generated correction traces and using appropriate regularization to steer the learning process into learning a self-correction strategy that is effective at test time as opposed to simply fitting high-reward responses for a given prompt. This regularization prescribes running a first phase of RL on a base model to generate a policy initialization that is less susceptible to collapse and then using a reward bonus to amplify self-correction during training. When applied to Gemini 1.0 Pro and 1.5 Flash models, we find that SCoRe achieves state-of-the-art self-correction performance, improving the base models' self-correction by 15.6% and 9.1% respectively on the MATH and HumanEval benchmarks.

Attention-based architectures have become ubiquitous in machine learning, yet our understanding of the reasons for their effectiveness remains limited. This work proposes a new way to understand self-attention networks: we show that their output can be decomposed into a sum of smaller terms, each involving the operation of a sequence of attention heads across layers. Using this decomposition, we prove that self-attention possesses a strong inductive bias towards "token uniformity". Specifically, without skip connections or multi-layer perceptrons (MLPs), the output converges doubly exponentially to a rank-1 matrix. On the other hand, skip connections and MLPs stop the output from degeneration. Our experiments verify the identified convergence phenomena on different variants of standard transformer architectures.

We challenge a common assumption underlying most supervised deep learning: that a model makes a prediction depending only on its parameters and the features of a single input. To this end, we introduce a general-purpose deep learning architecture that takes as input the entire dataset instead of processing one datapoint at a time. Our approach uses self-attention to reason about relationships between datapoints explicitly, which can be seen as realizing non-parametric models using parametric attention mechanisms. However, unlike conventional non-parametric models, we let the model learn end-to-end from the data how to make use of other datapoints for prediction. Empirically, our models solve cross-datapoint lookup and complex reasoning tasks unsolvable by traditional deep learning models. We show highly competitive results on tabular data, early results on CIFAR-10, and give insight into how the model makes use of the interactions between points.

Developing models that can learn to reason is a notoriously challenging problem. We focus on reasoning in relational domains, where the use of Graph Neural Networks (GNNs) seems like a natural choice. However, previous work has shown that regular GNNs lack the ability to systematically generalize from training examples on test graphs requiring longer inference chains, which fundamentally limits their reasoning abilities. A common solution relies on neuro-symbolic methods that systematically reason by learning rules, but their scalability is often limited and they tend to make unrealistically strong assumptions, e.g.\ that the answer can always be inferred from a single relational path. We propose the Epistemic GNN (EpiGNN), a novel parameter-efficient and scalable GNN architecture with an epistemic inductive bias for systematic reasoning. Node embeddings in EpiGNNs are treated as epistemic states, and message passing is implemented accordingly. We show that EpiGNNs achieve state-of-the-art results on link prediction tasks that require systematic reasoning. Furthermore, for inductive knowledge graph completion, EpiGNNs rival the performance of state-of-the-art specialized approaches. Finally, we introduce two new benchmarks that go beyond standard relational reasoning by requiring the aggregation of information from multiple paths. Here, existing neuro-symbolic approaches fail, yet EpiGNNs learn to reason accurately. Code and datasets are available at https://github.com/erg0dic/gnn-sg.

Recent research on time-series self-supervised models shows great promise in learning semantic representations. However, it has been limited to small-scale datasets, e.g., thousands of temporal sequences. In this work, we make key technical contributions that are tailored to the numerical properties of time-series data and allow the model to scale to large datasets, e.g., millions of temporal sequences. We adopt the Transformer architecture by first partitioning the input into non-overlapping windows. Each window is then characterized by its normalized shape and two scalar values denoting the mean and standard deviation within each window. To embed scalar values that may possess arbitrary numerical scales to high-dimensional vectors, we propose a numerically multi-scaled embedding module enumerating all possible scales for the scalar values. The model undergoes pretraining using the proposed numerically multi-scaled embedding with a simple contrastive objective on a large-scale dataset containing over a million sequences. We study its transfer performance on a number of univariate and multivariate classification benchmarks. Our method exhibits remarkable improvement against previous representation learning approaches and establishes the new state of the art, even compared with domain-specific non-learning-based methods.

One of the roadblocks to a better understanding of neural networks' internals is polysemanticity, where neurons appear to activate in multiple, semantically distinct contexts. Polysemanticity prevents us from identifying concise, human-understandable explanations for what neural networks are doing internally. One hypothesised cause of polysemanticity is superposition, where neural networks represent more features than they have neurons by assigning features to an overcomplete set of directions in activation space, rather than to individual neurons. Here, we attempt to identify those directions, using sparse autoencoders to reconstruct the internal activations of a language model. These autoencoders learn sets of sparsely activating features that are more interpretable and monosemantic than directions identified by alternative approaches, where interpretability is measured by automated methods. Ablating these features enables precise model editing, for example, by removing capabilities such as pronoun prediction, while disrupting model behaviour less than prior techniques. This work indicates that it is possible to resolve superposition in language models using a scalable, unsupervised method. Our method may serve as a foundation for future mechanistic interpretability work, which we hope will enable greater model transparency and steerability.

While Large Language Models (LLMs) have demonstrated proficiency in handling complex queries, much of the past work has depended on extensively annotated datasets by human experts. However, this reliance on fully-supervised annotations poses scalability challenges, particularly as models and data requirements grow. To mitigate this, we explore the potential of enhancing LLMs' reasoning abilities with minimal human supervision. In this work, we introduce self-reinforcement, which begins with Supervised Fine-Tuning (SFT) of the model using a small collection of annotated questions. Then it iteratively improves LLMs by learning from the differences in responses from the SFT and unfinetuned models on unlabeled questions. Our approach provides an efficient approach without relying heavily on extensive human-annotated explanations. However, current reasoning benchmarks typically only include golden-reference answers or rationales. Therefore, we present PuzzleBen, a weakly supervised benchmark that comprises 25,147 complex questions, answers, and human-generated rationales across various domains, such as brainteasers, puzzles, riddles, parajumbles, and critical reasoning tasks. A unique aspect of our dataset is the inclusion of 10,000 unannotated questions, enabling us to explore utilizing fewer supersized data to boost LLMs' inference capabilities. Our experiments underscore the significance of PuzzleBen, as well as the effectiveness of our methodology as a promising direction in future endeavors. Our dataset and code will be published soon on Anonymity Link.

Self-supervised representation learning solves auxiliary prediction tasks (known as pretext tasks) without requiring labeled data to learn useful semantic representations. These pretext tasks are created solely using the input features, such as predicting a missing image patch, recovering the color channels of an image from context, or predicting missing words in text; yet predicting this known information helps in learning representations effective for downstream prediction tasks. We posit a mechanism exploiting the statistical connections between certain {\em reconstruction-based} pretext tasks that guarantee to learn a good representation. Formally, we quantify how the approximate independence between the components of the pretext task (conditional on the label and latent variables) allows us to learn representations that can solve the downstream task by just training a linear layer on top of the learned representation. We prove the linear layer yields small approximation error even for complex ground truth function class and will drastically reduce labeled sample complexity. Next, we show a simple modification of our method leads to nonlinear CCA, analogous to the popular SimSiam algorithm, and show similar guarantees for nonlinear CCA.

While Vision-Language Models (VLMs) have shown remarkable abilities in visual and language reasoning tasks, they invariably generate flawed responses. Self-correction that instructs models to refine their outputs presents a promising solution to this issue. Previous studies have mainly concentrated on Large Language Models (LLMs), while the self-correction abilities of VLMs, particularly concerning both visual and linguistic information, remain largely unexamined. This study investigates the self-correction capabilities of VLMs during both inference and fine-tuning stages. We introduce a Self-Correction Learning (SCL) approach that enables VLMs to learn from their self-generated self-correction data through Direct Preference Optimization (DPO) without relying on external feedback, facilitating self-improvement. Specifically, we collect preferred and disfavored samples based on the correctness of initial and refined responses, which are obtained by two-turn self-correction with VLMs during the inference stage. Experimental results demonstrate that although VLMs struggle to self-correct effectively during iterative inference without additional fine-tuning and external feedback, they can enhance their performance and avoid previous mistakes through preference fine-tuning when their self-generated self-correction data are categorized into preferred and disfavored samples. This study emphasizes that self-correction is not merely a refinement process; rather, it should enhance the reasoning abilities of models through additional training, enabling them to generate high-quality responses directly without further refinement.

Pre-trained language models (e.g., BERT (Devlin et al., 2018) and its variants) have achieved remarkable success in varieties of NLP tasks. However, these models usually consist of hundreds of millions of parameters which brings challenges for fine-tuning and online serving in real-life applications due to latency and capacity constraints. In this work, we present a simple and effective approach to compress large Transformer (Vaswani et al., 2017) based pre-trained models, termed as deep self-attention distillation. The small model (student) is trained by deeply mimicking the self-attention module, which plays a vital role in Transformer networks, of the large model (teacher). Specifically, we propose distilling the self-attention module of the last Transformer layer of the teacher, which is effective and flexible for the student. Furthermore, we introduce the scaled dot-product between values in the self-attention module as the new deep self-attention knowledge, in addition to the attention distributions (i.e., the scaled dot-product of queries and keys) that have been used in existing works. Moreover, we show that introducing a teacher assistant (Mirzadeh et al., 2019) also helps the distillation of large pre-trained Transformer models. Experimental results demonstrate that our monolingual model outperforms state-of-the-art baselines in different parameter size of student models. In particular, it retains more than 99% accuracy on SQuAD 2.0 and several GLUE benchmark tasks using 50% of the Transformer parameters and computations of the teacher model. We also obtain competitive results in applying deep self-attention distillation to multilingual pre-trained models.

Knowledge distillation is classically a procedure where a neural network is trained on the output of another network along with the original targets in order to transfer knowledge between the architectures. The special case of self-distillation, where the network architectures are identical, has been observed to improve generalization accuracy. In this paper, we consider an iterative variant of self-distillation in a kernel regression setting, in which successive steps incorporate both model outputs and the ground-truth targets. This allows us to provide the first theoretical results on the importance of using the weighted ground-truth targets in self-distillation. Our focus is on fitting nonlinear functions to training data with a weighted mean square error objective function suitable for distillation, subject to ell_2 regularization of the model parameters. We show that any such function obtained with self-distillation can be calculated directly as a function of the initial fit, and that infinite distillation steps yields the same optimization problem as the original with amplified regularization. Furthermore, we provide a closed form solution for the optimal choice of weighting parameter at each step, and show how to efficiently estimate this weighting parameter for deep learning and significantly reduce the computational requirements compared to a grid search.

Natural data is redundant yet predominant architectures tile computation uniformly across their input and output space. We propose the Recurrent Interface Networks (RINs), an attention-based architecture that decouples its core computation from the dimensionality of the data, enabling adaptive computation for more scalable generation of high-dimensional data. RINs focus the bulk of computation (i.e. global self-attention) on a set of latent tokens, using cross-attention to read and write (i.e. route) information between latent and data tokens. Stacking RIN blocks allows bottom-up (data to latent) and top-down (latent to data) feedback, leading to deeper and more expressive routing. While this routing introduces challenges, this is less problematic in recurrent computation settings where the task (and routing problem) changes gradually, such as iterative generation with diffusion models. We show how to leverage recurrence by conditioning the latent tokens at each forward pass of the reverse diffusion process with those from prior computation, i.e. latent self-conditioning. RINs yield state-of-the-art pixel diffusion models for image and video generation, scaling to 1024X1024 images without cascades or guidance, while being domain-agnostic and up to 10X more efficient than 2D and 3D U-Nets.

In the Transformer model, "self-attention" combines information from attended embeddings into the representation of the focal embedding in the next layer. Thus, across layers of the Transformer, information originating from different tokens gets increasingly mixed. This makes attention weights unreliable as explanations probes. In this paper, we consider the problem of quantifying this flow of information through self-attention. We propose two methods for approximating the attention to input tokens given attention weights, attention rollout and attention flow, as post hoc methods when we use attention weights as the relative relevance of the input tokens. We show that these methods give complementary views on the flow of information, and compared to raw attention, both yield higher correlations with importance scores of input tokens obtained using an ablation method and input gradients.

In a conversation or a dialogue process, attention and intention play intrinsic roles. This paper proposes a neural network based approach that models the attention and intention processes. It essentially consists of three recurrent networks. The encoder network is a word-level model representing source side sentences. The intention network is a recurrent network that models the dynamics of the intention process. The decoder network is a recurrent network produces responses to the input from the source side. It is a language model that is dependent on the intention and has an attention mechanism to attend to particular source side words, when predicting a symbol in the response. The model is trained end-to-end without labeling data. Experiments show that this model generates natural responses to user inputs.

Despite the tremendous success, existing machine learning models still fall short of human-like systematic generalization -- learning compositional rules from limited data and applying them to unseen combinations in various domains. We propose Neural-Symbolic Recursive Machine (NSR) to tackle this deficiency. The core representation of NSR is a Grounded Symbol System (GSS) with combinatorial syntax and semantics, which entirely emerges from training data. Akin to the neuroscience studies suggesting separate brain systems for perceptual, syntactic, and semantic processing, NSR implements analogous separate modules of neural perception, syntactic parsing, and semantic reasoning, which are jointly learned by a deduction-abduction algorithm. We prove that NSR is expressive enough to model various sequence-to-sequence tasks. Superior systematic generalization is achieved via the inductive biases of equivariance and recursiveness embedded in NSR. In experiments, NSR achieves state-of-the-art performance in three benchmarks from different domains: SCAN for semantic parsing, PCFG for string manipulation, and HINT for arithmetic reasoning. Specifically, NSR achieves 100% generalization accuracy on SCAN and PCFG and outperforms state-of-the-art models on HINT by about 23%. Our NSR demonstrates stronger generalization than pure neural networks due to its symbolic representation and inductive biases. NSR also demonstrates better transferability than existing neural-symbolic approaches due to less domain-specific knowledge required.

Self-adaptive large language models (LLMs) aim to solve the challenges posed by traditional fine-tuning methods, which are often computationally intensive and static in their ability to handle diverse tasks. We introduce \implname, a novel self-adaptation framework that adapts LLMs for unseen tasks in real-time by selectively adjusting only the singular components of their weight matrices. During inference, \implname employs a two-pass mechanism: first, a dispatch system identifies the task properties, and then task-specific "expert" vectors, trained using reinforcement learning, are dynamically mixed to obtain targeted behavior for the incoming prompt. Our method outperforms ubiquitous approaches such as LoRA, with fewer parameters and greater efficiency. \implname demonstrates versatility across different LLM architectures and modalities, including vision-language tasks. \implname represents a significant leap forward, offering a scalable, efficient solution for enhancing the adaptability and task-specific performance of LLMs, paving the way for truly dynamic, self-organizing AI systems.

The lack of transparency of Deep Neural Networks continues to be a limitation that severely undermines their reliability and usage in high-stakes applications. Promising approaches to overcome such limitations are Prototype-Based Self-Explainable Neural Networks (PSENNs), whose predictions rely on the similarity between the input at hand and a set of prototypical representations of the output classes, offering therefore a deep, yet transparent-by-design, architecture. So far, such models have been designed by considering pointwise estimates for the prototypes, which remain fixed after the learning phase of the model. In this paper, we introduce a probabilistic reformulation of PSENNs, called Prob-PSENN, which replaces point estimates for the prototypes with probability distributions over their values. This provides not only a more flexible framework for an end-to-end learning of prototypes, but can also capture the explanatory uncertainty of the model, which is a missing feature in previous approaches. In addition, since the prototypes determine both the explanation and the prediction, Prob-PSENNs allow us to detect when the model is making uninformed or uncertain predictions, and to obtain valid explanations for them. Our experiments demonstrate that Prob-PSENNs provide more meaningful and robust explanations than their non-probabilistic counterparts, thus enhancing the explainability and reliability of the models.

Deep neural networks are widely used for classification. These deep models often suffer from a lack of interpretability -- they are particularly difficult to understand because of their non-linear nature. As a result, neural networks are often treated as "black box" models, and in the past, have been trained purely to optimize the accuracy of predictions. In this work, we create a novel network architecture for deep learning that naturally explains its own reasoning for each prediction. This architecture contains an autoencoder and a special prototype layer, where each unit of that layer stores a weight vector that resembles an encoded training input. The encoder of the autoencoder allows us to do comparisons within the latent space, while the decoder allows us to visualize the learned prototypes. The training objective has four terms: an accuracy term, a term that encourages every prototype to be similar to at least one encoded input, a term that encourages every encoded input to be close to at least one prototype, and a term that encourages faithful reconstruction by the autoencoder. The distances computed in the prototype layer are used as part of the classification process. Since the prototypes are learned during training, the learned network naturally comes with explanations for each prediction, and the explanations are loyal to what the network actually computes.

We introduce a neural network with a recurrent attention model over a possibly large external memory. The architecture is a form of Memory Network (Weston et al., 2015) but unlike the model in that work, it is trained end-to-end, and hence requires significantly less supervision during training, making it more generally applicable in realistic settings. It can also be seen as an extension of RNNsearch to the case where multiple computational steps (hops) are performed per output symbol. The flexibility of the model allows us to apply it to tasks as diverse as (synthetic) question answering and to language modeling. For the former our approach is competitive with Memory Networks, but with less supervision. For the latter, on the Penn TreeBank and Text8 datasets our approach demonstrates comparable performance to RNNs and LSTMs. In both cases we show that the key concept of multiple computational hops yields improved results.

Many current NLP systems are built from language models trained to optimize unsupervised objectives on large amounts of raw text. Under what conditions might such a procedure acquire meaning? Our systematic experiments with synthetic data reveal that, with languages where all expressions have context-independent denotations (i.e., languages with strong transparency), both autoregressive and masked language models successfully learn to emulate semantic relations between expressions. However, when denotations are changed to be context-dependent with the language otherwise unmodified, this ability degrades. Turning to natural language, our experiments with a specific phenomenon -- referential opacity -- add to the growing body of evidence that current language models do not represent natural language semantics well. We show this failure relates to the context-dependent nature of natural language form-meaning mappings.

The success of deep learning notoriously requires larger amounts of costly annotated data. This has led to the development of self-supervised learning (SSL) that aims to alleviate this limitation by creating domain specific pretext tasks on unlabeled data. Simultaneously, there are increasing interests in generalizing deep learning to the graph domain in the form of graph neural networks (GNNs). GNNs can naturally utilize unlabeled nodes through the simple neighborhood aggregation that is unable to thoroughly make use of unlabeled nodes. Thus, we seek to harness SSL for GNNs to fully exploit the unlabeled data. Different from data instances in the image and text domains, nodes in graphs present unique structure information and they are inherently linked indicating not independent and identically distributed (or i.i.d.). Such complexity is a double-edged sword for SSL on graphs. On the one hand, it determines that it is challenging to adopt solutions from the image and text domains to graphs and dedicated efforts are desired. On the other hand, it provides rich information that enables us to build SSL from a variety of perspectives. Thus, in this paper, we first deepen our understandings on when, why, and which strategies of SSL work with GNNs by empirically studying numerous basic SSL pretext tasks on graphs. Inspired by deep insights from the empirical studies, we propose a new direction SelfTask to build advanced pretext tasks that are able to achieve state-of-the-art performance on various real-world datasets. The specific experimental settings to reproduce our results can be found in https://github.com/ChandlerBang/SelfTask-GNN.

We introduce SelfCite, a novel self-supervised approach that aligns LLMs to generate high-quality, fine-grained, sentence-level citations for the statements in their generated responses. Instead of only relying on costly and labor-intensive annotations, SelfCite leverages a reward signal provided by the LLM itself through context ablation: If a citation is necessary, removing the cited text from the context should prevent the same response; if sufficient, retaining the cited text alone should preserve the same response. This reward can guide the inference-time best-of-N sampling strategy to improve citation quality significantly, as well as be used in preference optimization to directly fine-tune the models for generating better citations. The effectiveness of SelfCite is demonstrated by increasing citation F1 up to 5.3 points on the LongBench-Cite benchmark across five long-form question answering tasks.

We study whether language models can evaluate the validity of their own claims and predict which questions they will be able to answer correctly. We first show that larger models are well-calibrated on diverse multiple choice and true/false questions when they are provided in the right format. Thus we can approach self-evaluation on open-ended sampling tasks by asking models to first propose answers, and then to evaluate the probability "P(True)" that their answers are correct. We find encouraging performance, calibration, and scaling for P(True) on a diverse array of tasks. Performance at self-evaluation further improves when we allow models to consider many of their own samples before predicting the validity of one specific possibility. Next, we investigate whether models can be trained to predict "P(IK)", the probability that "I know" the answer to a question, without reference to any particular proposed answer. Models perform well at predicting P(IK) and partially generalize across tasks, though they struggle with calibration of P(IK) on new tasks. The predicted P(IK) probabilities also increase appropriately in the presence of relevant source materials in the context, and in the presence of hints towards the solution of mathematical word problems. We hope these observations lay the groundwork for training more honest models, and for investigating how honesty generalizes to cases where models are trained on objectives other than the imitation of human writing.

Although existing neural retrieval models reveal promising results when training data is abundant and the performance keeps improving as training data increases, collecting high-quality annotated data is prohibitively costly. To this end, we introduce a novel noisy self-training framework combined with synthetic queries, showing that neural retrievers can be improved in a self-evolution manner with no reliance on any external models. Experimental results show that our method improves consistently over existing methods on both general-domain (e.g., MS-MARCO) and out-of-domain (i.e., BEIR) retrieval benchmarks. Extra analysis on low-resource settings reveals that our method is data efficient and outperforms competitive baselines, with as little as 30% of labelled training data. Further extending the framework for reranker training demonstrates that the proposed method is general and yields additional gains on tasks of diverse domains.Source code is available at \url{https://github.com/Fantabulous-J/Self-Training-DPR}

Recent advances in efficient sequence modeling have led to attention-free layers, such as Mamba, RWKV, and various gated RNNs, all featuring sub-quadratic complexity in sequence length and excellent scaling properties, enabling the construction of a new type of foundation models. In this paper, we present a unified view of these models, formulating such layers as implicit causal self-attention layers. The formulation includes most of their sub-components and is not limited to a specific part of the architecture. The framework compares the underlying mechanisms on similar grounds for different layers and provides a direct means for applying explainability methods. Our experiments show that our attention matrices and attribution method outperform an alternative and a more limited formulation that was recently proposed for Mamba. For the other architectures for which our method is the first to provide such a view, our method is effective and competitive in the relevant metrics compared to the results obtained by state-of-the-art transformer explainability methods. Our code is publicly available.

Recent findings in neuroscience suggest that the human brain represents information in a geometric structure (for instance, through conceptual spaces). In order to communicate, we flatten the complex representation of entities and their attributes into a single word or a sentence. In this paper we use graph convolutional networks to support the evolution of language and cooperation in multi-agent systems. Motivated by an image-based referential game, we propose a graph referential game with varying degrees of complexity, and we provide strong baseline models that exhibit desirable properties in terms of language emergence and cooperation. We show that the emerged communication protocol is robust, that the agents uncover the true factors of variation in the game, and that they learn to generalize beyond the samples encountered during training.

Despite the fact that Transformers perform well in NLP tasks, recent studies suggest that self-attention is theoretically limited in learning even some regular and context-free languages. These findings motivated us to think about their implications in modeling natural language, which is hypothesized to be mildly context-sensitive. We test the Transformer's ability to learn mildly context-sensitive languages of varying complexities, and find that they generalize well to unseen in-distribution data, but their ability to extrapolate to longer strings is worse than that of LSTMs. Our analyses show that the learned self-attention patterns and representations modeled dependency relations and demonstrated counting behavior, which may have helped the models solve the languages.

Recently, it is shown that deploying a proper self-supervision is a prospective way to enhance the performance of supervised learning. Yet, the benefits of self-supervision are not fully exploited as previous pretext tasks are specialized for unsupervised representation learning. To this end, we begin by presenting three desirable properties for such auxiliary tasks to assist the supervised objective. First, the tasks need to guide the model to learn rich features. Second, the transformations involved in the self-supervision should not significantly alter the training distribution. Third, the tasks are preferred to be light and generic for high applicability to prior arts. Subsequently, to show how existing pretext tasks can fulfill these and be tailored for supervised learning, we propose a simple auxiliary self-supervision task, predicting localizable rotation (LoRot). Our exhaustive experiments validate the merits of LoRot as a pretext task tailored for supervised learning in terms of robustness and generalization capability. Our code is available at https://github.com/wjun0830/Localizable-Rotation.

Large Language Models (LLMs) have achieved excellent performances in various tasks. However, fine-tuning an LLM requires extensive supervision. Human, on the other hand, may improve their reasoning abilities by self-thinking without external inputs. In this work, we demonstrate that an LLM is also capable of self-improving with only unlabeled datasets. We use a pre-trained LLM to generate "high-confidence" rationale-augmented answers for unlabeled questions using Chain-of-Thought prompting and self-consistency, and fine-tune the LLM using those self-generated solutions as target outputs. We show that our approach improves the general reasoning ability of a 540B-parameter LLM (74.4%->82.1% on GSM8K, 78.2%->83.0% on DROP, 90.0%->94.4% on OpenBookQA, and 63.4%->67.9% on ANLI-A3) and achieves state-of-the-art-level performance, without any ground truth label. We conduct ablation studies and show that fine-tuning on reasoning is critical for self-improvement.

Recent language models have shown remarkable performance on natural language understanding (NLU) tasks. However, they are often sub-optimal when faced with ambiguous samples that can be interpreted in multiple ways, over-confidently predicting a single label without consideration for its correctness. To address this issue, we propose a novel self-knowledge distillation method that enables models to learn label distributions more accurately by leveraging knowledge distilled from their lower layers. This approach also includes a learning phase that re-calibrates the unnecessarily strengthened confidence for training samples judged as extremely ambiguous based on the distilled distribution knowledge. We validate our method on diverse NLU benchmark datasets and the experimental results demonstrate its effectiveness in producing better label distributions. Particularly, through the process of re-calibrating the confidence for highly ambiguous samples, the issue of over-confidence when predictions for unseen samples do not match with their ground-truth labels has been significantly alleviated. This has been shown to contribute to generating better distributions than the existing state-of-the-art method. Moreover, our method is more efficient in training the models compared to the existing method, as it does not involve additional training processes to refine label distributions.

Chain-of-thought prompting combined with pre-trained large language models has achieved encouraging results on complex reasoning tasks. In this paper, we propose a new decoding strategy, self-consistency, to replace the naive greedy decoding used in chain-of-thought prompting. It first samples a diverse set of reasoning paths instead of only taking the greedy one, and then selects the most consistent answer by marginalizing out the sampled reasoning paths. Self-consistency leverages the intuition that a complex reasoning problem typically admits multiple different ways of thinking leading to its unique correct answer. Our extensive empirical evaluation shows that self-consistency boosts the performance of chain-of-thought prompting with a striking margin on a range of popular arithmetic and commonsense reasoning benchmarks, including GSM8K (+17.9%), SVAMP (+11.0%), AQuA (+12.2%), StrategyQA (+6.4%) and ARC-challenge (+3.9%).

Training a neural network is a monolithic endeavor, akin to carving knowledge into stone: once the process is completed, editing the knowledge in a network is nearly impossible, since all information is distributed across the network's weights. We here explore a simple, compelling alternative by marrying the representational power of deep neural networks with the flexibility of a database. Decomposing the task of image classification into image similarity (from a pre-trained embedding) and search (via fast nearest neighbor retrieval from a knowledge database), we build a simple and flexible visual memory that has the following key capabilities: (1.) The ability to flexibly add data across scales: from individual samples all the way to entire classes and billion-scale data; (2.) The ability to remove data through unlearning and memory pruning; (3.) An interpretable decision-mechanism on which we can intervene to control its behavior. Taken together, these capabilities comprehensively demonstrate the benefits of an explicit visual memory. We hope that it might contribute to a conversation on how knowledge should be represented in deep vision models -- beyond carving it in ``stone'' weights.

Catastrophic forgetting in neural networks is a significant problem for continual learning. A majority of the current methods replay previous data during training, which violates the constraints of an ideal continual learning system. Additionally, current approaches that deal with forgetting ignore the problem of catastrophic remembering, i.e. the worsening ability to discriminate between data from different tasks. In our work, we introduce Relevance Mapping Networks (RMNs) which are inspired by the Optimal Overlap Hypothesis. The mappings reflects the relevance of the weights for the task at hand by assigning large weights to essential parameters. We show that RMNs learn an optimized representational overlap that overcomes the twin problem of catastrophic forgetting and remembering. Our approach achieves state-of-the-art performance across all common continual learning datasets, even significantly outperforming data replay methods while not violating the constraints for an ideal continual learning system. Moreover, RMNs retain the ability to detect data from new tasks in an unsupervised manner, thus proving their resilience against catastrophic remembering.

When trained on large, unfiltered crawls from the internet, language models pick up and reproduce all kinds of undesirable biases that can be found in the data: they often generate racist, sexist, violent or otherwise toxic language. As large models require millions of training examples to achieve good performance, it is difficult to completely prevent them from being exposed to such content. In this paper, we first demonstrate a surprising finding: pretrained language models recognize, to a considerable degree, their undesirable biases and the toxicity of the content they produce. We refer to this capability as self-diagnosis. Based on this finding, we then propose a decoding algorithm that, given only a textual description of the undesired behavior, reduces the probability of a language model producing problematic text. We refer to this approach as self-debiasing. Self-debiasing does not rely on manually curated word lists, nor does it require any training data or changes to the model's parameters. While we by no means eliminate the issue of language models generating biased text, we believe our approach to be an important step in this direction.

In the field of machine learning, the well-trained model is assumed to be able to recover the training labels, i.e. the synthetic labels predicted by the model should be as close to the ground-truth labels as possible. Inspired by this, we propose a self-guided curriculum strategy to encourage the learning of neural machine translation (NMT) models to follow the above recovery criterion, where we cast the recovery degree of each training example as its learning difficulty. Specifically, we adopt the sentence level BLEU score as the proxy of recovery degree. Different from existing curricula relying on linguistic prior knowledge or third-party language models, our chosen learning difficulty is more suitable to measure the degree of knowledge mastery of the NMT models. Experiments on translation benchmarks, including WMT14 EnglishRightarrowGerman and WMT17 ChineseRightarrowEnglish, demonstrate that our approach can consistently improve translation performance against strong baseline Transformer.

Recent work on large language models relies on the intuition that most natural language processing tasks can be described via natural language instructions. Language models trained on these instructions show strong zero-shot performance on several standard datasets. However, these models even though impressive still perform poorly on a wide range of tasks outside of their respective training and evaluation sets. To address this limitation, we argue that a model should be able to keep extending its knowledge and abilities, without forgetting previous skills. In spite of the limited success of Continual Learning we show that Language Models can be continual learners. We empirically investigate the reason for this success and conclude that Continual Learning emerges from self-supervision pre-training. Our resulting model Continual-T0 (CT0) is able to learn diverse new tasks, while still maintaining good performance on previous tasks, spanning remarkably through 70 datasets in total. Finally, we show that CT0 is able to combine instructions in ways it was never trained for, demonstrating some compositionality.

The prevalent use of large language models (LLMs) in various domains has drawn attention to the issue of "hallucination," which refers to instances where LLMs generate factually inaccurate or ungrounded information. Existing techniques for hallucination detection in language assistants rely on intricate fuzzy, specific free-language-based chain of thought (CoT) techniques or parameter-based methods that suffer from interpretability issues. Additionally, the methods that identify hallucinations post-generation could not prevent their occurrence and suffer from inconsistent performance due to the influence of the instruction format and model style. In this paper, we introduce a novel pre-detection self-evaluation technique, referred to as SELF-FAMILIARITY, which focuses on evaluating the model's familiarity with the concepts present in the input instruction and withholding the generation of response in case of unfamiliar concepts. This approach emulates the human ability to refrain from responding to unfamiliar topics, thus reducing hallucinations. We validate SELF-FAMILIARITY across four different large language models, demonstrating consistently superior performance compared to existing techniques. Our findings propose a significant shift towards preemptive strategies for hallucination mitigation in LLM assistants, promising improvements in reliability, applicability, and interpretability.

The self-rationalising capabilities of large language models (LLMs) have been explored in restricted settings, using task/specific data sets. However, current LLMs do not (only) rely on specifically annotated data; nonetheless, they frequently explain their outputs. The properties of the generated explanations are influenced by the pre-training corpus and by the target data used for instruction fine-tuning. As the pre-training corpus includes a large amount of human-written explanations "in the wild", we hypothesise that LLMs adopt common properties of human explanations. By analysing the outputs for a multi-domain instruction fine-tuning data set, we find that generated explanations show selectivity and contain illustrative elements, but less frequently are subjective or misleading. We discuss reasons and consequences of the properties' presence or absence. In particular, we outline positive and negative implications depending on the goals and user groups of the self-rationalising system.

The sequential order of utterances is often meaningful in coherent dialogues, and the order changes of utterances could lead to low-quality and incoherent conversations. We consider the order information as a crucial supervised signal for dialogue learning, which, however, has been neglected by many previous dialogue systems. Therefore, in this paper, we introduce a self-supervised learning task, inconsistent order detection, to explicitly capture the flow of conversation in dialogues. Given a sampled utterance pair triple, the task is to predict whether it is ordered or misordered. Then we propose a sampling-based self-supervised network SSN to perform the prediction with sampled triple references from previous dialogue history. Furthermore, we design a joint learning framework where SSN can guide the dialogue systems towards more coherent and relevant dialogue learning through adversarial training. We demonstrate that the proposed methods can be applied to both open-domain and task-oriented dialogue scenarios, and achieve the new state-of-the-art performance on the OpenSubtitiles and Movie-Ticket Booking datasets.

Large language models (LLMs) have demonstrated remarkable performance across a wide array of NLP tasks. However, their efficacy is undermined by undesired and inconsistent behaviors, including hallucination, unfaithful reasoning, and toxic content. A promising approach to rectify these flaws is self-correction, where the LLM itself is prompted or guided to fix problems in its own output. Techniques leveraging automated feedback -- either produced by the LLM itself or some external system -- are of particular interest as they are a promising way to make LLM-based solutions more practical and deployable with minimal human feedback. This paper presents a comprehensive review of this emerging class of techniques. We analyze and taxonomize a wide array of recent work utilizing these strategies, including training-time, generation-time, and post-hoc correction. We also summarize the major applications of this strategy and conclude by discussing future directions and challenges.

This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does not require computationally expensive higher-order representations in intermediate layers while it still achieves competitive or better performance. In addition, whereas existing methods are limited to equivariance on 3 dimensional spaces, our model is easily scaled to higher-dimensional spaces. We demonstrate the effectiveness of our method on dynamical systems modelling, representation learning in graph autoencoders and predicting molecular properties.

Self-supervision as an emerging technique has been employed to train convolutional neural networks (CNNs) for more transferrable, generalizable, and robust representation learning of images. Its introduction to graph convolutional networks (GCNs) operating on graph data is however rarely explored. In this study, we report the first systematic exploration and assessment of incorporating self-supervision into GCNs. We first elaborate three mechanisms to incorporate self-supervision into GCNs, analyze the limitations of pretraining & finetuning and self-training, and proceed to focus on multi-task learning. Moreover, we propose to investigate three novel self-supervised learning tasks for GCNs with theoretical rationales and numerical comparisons. Lastly, we further integrate multi-task self-supervision into graph adversarial training. Our results show that, with properly designed task forms and incorporation mechanisms, self-supervision benefits GCNs in gaining more generalizability and robustness. Our codes are available at https://github.com/Shen-Lab/SS-GCNs.

Hallucinations in large language models are a widespread problem, yet the mechanisms behind whether models will hallucinate are poorly understood, limiting our ability to solve this problem. Using sparse autoencoders as an interpretability tool, we discover that a key part of these mechanisms is entity recognition, where the model detects if an entity is one it can recall facts about. Sparse autoencoders uncover meaningful directions in the representation space, these detect whether the model recognizes an entity, e.g. detecting it doesn't know about an athlete or a movie. This suggests that models can have self-knowledge: internal representations about their own capabilities. These directions are causally relevant: capable of steering the model to refuse to answer questions about known entities, or to hallucinate attributes of unknown entities when it would otherwise refuse. We demonstrate that despite the sparse autoencoders being trained on the base model, these directions have a causal effect on the chat model's refusal behavior, suggesting that chat finetuning has repurposed this existing mechanism. Furthermore, we provide an initial exploration into the mechanistic role of these directions in the model, finding that they disrupt the attention of downstream heads that typically move entity attributes to the final token.

Chain-of-thought (CoT) reasoning has emerged as an effective approach for activating latent capabilities in large language models (LLMs). We observe that CoT shares significant similarities with self-training in terms of their learning processes. Motivated by these parallels, this paper explores the underlying relationship between CoT and self-training, demonstrating how insights from self-training can enhance CoT performance. Specifically, our study first reveals that CoT, like self-training, follows the principle of semantic entropy minimization. Leveraging this insight, we propose a novel CoT framework that incorporates two key components: (i) a task-specific prompt module designed to guide LLMs in generating high-quality initial reasoning processes, and (ii) an adaptive reasoning iteration module for progressively refining the reasoning process.

In this paper, we propose Dynamic Self-Attention (DSA), a new self-attention mechanism for sentence embedding. We design DSA by modifying dynamic routing in capsule network (Sabouretal.,2017) for natural language processing. DSA attends to informative words with a dynamic weight vector. We achieve new state-of-the-art results among sentence encoding methods in Stanford Natural Language Inference (SNLI) dataset with the least number of parameters, while showing comparative results in Stanford Sentiment Treebank (SST) dataset.

A new prior is proposed for learning representations of high-level concepts of the kind we manipulate with language. This prior can be combined with other priors in order to help disentangling abstract factors from each other. It is inspired by cognitive neuroscience theories of consciousness, seen as a bottleneck through which just a few elements, after having been selected by attention from a broader pool, are then broadcast and condition further processing, both in perception and decision-making. The set of recently selected elements one becomes aware of is seen as forming a low-dimensional conscious state. This conscious state is combining the few concepts constituting a conscious thought, i.e., what one is immediately conscious of at a particular moment. We claim that this architectural and information-processing constraint corresponds to assumptions about the joint distribution between high-level concepts. To the extent that these assumptions are generally true (and the form of natural language seems consistent with them), they can form a useful prior for representation learning. A low-dimensional thought or conscious state is analogous to a sentence: it involves only a few variables and yet can make a statement with very high probability of being true. This is consistent with a joint distribution (over high-level concepts) which has the form of a sparse factor graph, i.e., where the dependencies captured by each factor of the factor graph involve only very few variables while creating a strong dip in the overall energy function. The consciousness prior also makes it natural to map conscious states to natural language utterances or to express classical AI knowledge in a form similar to facts and rules, albeit capturing uncertainty as well as efficient search mechanisms implemented by attention mechanisms.

Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations, such as ReLU, are not equivariant, hence they cannot be employed in the design of equivariant neural networks. The theorem we present in this paper describes all possible combinations of finite-dimensional representations, choice of coordinates and point-wise activations to obtain an exactly equivariant layer, generalizing and strengthening existing characterizations. Notable cases of practical relevance are discussed as corollaries. Indeed, we prove that rotation-equivariant networks can only be invariant, as it happens for any network which is equivariant with respect to connected compact groups. Then, we discuss implications of our findings when applied to important instances of exactly equivariant networks. First, we completely characterize permutation equivariant networks such as Invariant Graph Networks with point-wise nonlinearities and their geometric counterparts, highlighting a plethora of models whose expressive power and performance are still unknown. Second, we show that feature spaces of disentangled steerable convolutional neural networks are trivial representations.

Self-attention is an attention mechanism that learns a representation by relating different positions in the sequence. The transformer, which is a sequence model solely based on self-attention, and its variants achieved state-of-the-art results in many natural language processing tasks. Since music composes its semantics based on the relations between components in sparse positions, adopting the self-attention mechanism to solve music information retrieval (MIR) problems can be beneficial. Hence, we propose a self-attention based deep sequence model for music tagging. The proposed architecture consists of shallow convolutional layers followed by stacked Transformer encoders. Compared to conventional approaches using fully convolutional or recurrent neural networks, our model is more interpretable while reporting competitive results. We validate the performance of our model with the MagnaTagATune and the Million Song Dataset. In addition, we demonstrate the interpretability of the proposed architecture with a heat map visualization.

Recent progress in large-scale language models has enabled breakthroughs in previously intractable computer programming tasks. Prior work in meta-learning and neural architecture search has led to substantial successes across various task domains, spawning myriad approaches for algorithmically optimizing the design and learning dynamics of deep learning models. At the intersection of these research areas, we implement a code-generating language model with the ability to modify its own source code. Self-programming AI algorithms have been of interest since the dawn of AI itself. Although various theoretical formulations of generalized self-programming AI have been posed, no such system has been successfully implemented to date under real-world computational constraints. Applying AI-based code generation to AI itself, we develop and experimentally validate the first practical implementation of a self-programming AI system. We empirically show that a self-programming AI implemented using a code generation model can successfully modify its own source code to improve performance and program sub-models to perform auxiliary tasks. Our model can self-modify various properties including model architecture, computational capacity, and learning dynamics.

Large Language Models have demonstrated outstanding performance across various downstream tasks and have been widely applied in multiple scenarios. Human-annotated preference data is used for training to further improve LLMs' performance, which is constrained by the upper limit of human performance. Therefore, Self-Rewarding method has been proposed, where LLMs generate training data by rewarding their own outputs. However, the existing self-rewarding paradigm is not effective in mathematical reasoning scenarios and may even lead to a decline in performance. In this work, we propose the Process-based Self-Rewarding pipeline for language models, which introduces long-thought reasoning, step-wise LLM-as-a-Judge, and step-wise preference optimization within the self-rewarding paradigm. Our new paradigm successfully enhances the performance of LLMs on multiple mathematical reasoning benchmarks through iterative Process-based Self-Rewarding, demonstrating the immense potential of self-rewarding to achieve LLM reasoning that may surpass human capabilities.

Large language models have been shown to suffer from reasoning inconsistency issues. That is, they fail more in situations unfamiliar to the training data, even though exact or very similar reasoning paths exist in more common cases that they can successfully solve. Such observations motivate us to propose methods that encourage models to understand the high-level and abstract reasoning processes during training instead of only the final answer. This way, models can transfer the exact solution to similar cases, regardless of their relevance to the pre-training data distribution. In this work, we propose SAL, a self-supervised analogical learning framework. SAL mimics the human analogy process and trains models to explicitly transfer high-quality symbolic solutions from cases that they know how to solve to other rare cases in which they tend to fail more. We show that the resulting models after SAL learning outperform base language models on a wide range of reasoning benchmarks, such as StrategyQA, GSM8K, and HotpotQA, by 2% to 20%. At the same time, we show that our model is more generalizable and controllable through analytical studies.

We study the problem of combining neural networks with symbolic reasoning. Recently introduced frameworks for Probabilistic Neurosymbolic Learning (PNL), such as DeepProbLog, perform exponential-time exact inference, limiting the scalability of PNL solutions. We introduce Approximate Neurosymbolic Inference (A-NeSI): a new framework for PNL that uses neural networks for scalable approximate inference. A-NeSI 1) performs approximate inference in polynomial time without changing the semantics of probabilistic logics; 2) is trained using data generated by the background knowledge; 3) can generate symbolic explanations of predictions; and 4) can guarantee the satisfaction of logical constraints at test time, which is vital in safety-critical applications. Our experiments show that A-NeSI is the first end-to-end method to solve three neurosymbolic tasks with exponential combinatorial scaling. Finally, our experiments show that A-NeSI achieves explainability and safety without a penalty in performance.

Existing analyses of the expressive capacity of Transformer models have required excessively deep layers for data memorization, leading to a discrepancy with the Transformers actually used in practice. This is primarily due to the interpretation of the softmax function as an approximation of the hardmax function. By clarifying the connection between the softmax function and the Boltzmann operator, we prove that a single layer of self-attention with low-rank weight matrices possesses the capability to perfectly capture the context of an entire input sequence. As a consequence, we show that one-layer and single-head Transformers have a memorization capacity for finite samples, and that Transformers consisting of one self-attention layer with two feed-forward neural networks are universal approximators for continuous permutation equivariant functions on a compact domain.

Reinforcement learning from human feedback (RLHF) has been a central technique for recent large language model (LLM) alignment. However, its heavy dependence on costly human or LLM-as-Judge preference feedback could stymie its wider applications. In this work, we introduce Self-Contrast, a feedback-free large language model alignment method via exploiting extensive self-generated negatives. With only supervised fine-tuning (SFT) targets, Self-Contrast leverages the LLM itself to generate massive diverse candidates, and harnesses a pre-trained embedding model to filter multiple negatives according to text similarity. Theoretically, we illustrate that in this setting, merely scaling negative responses can still effectively approximate situations with more balanced positive and negative preference annotations. Our experiments with direct preference optimization (DPO) on three datasets show that, Self-Contrast could consistently outperform SFT and standard DPO training by large margins. And as the number of self-generated negatives increases, the performance of Self-Contrast continues to grow. Code and data are available at https://github.com/THUDM/Self-Contrast.

The primary paradigm for multi-task training in natural language processing is to represent the input with a shared pre-trained language model, and add a small, thin network (head) per task. Given an input, a target head is the head that is selected for outputting the final prediction. In this work, we examine the behaviour of non-target heads, that is, the output of heads when given input that belongs to a different task than the one they were trained for. We find that non-target heads exhibit emergent behaviour, which may either explain the target task, or generalize beyond their original task. For example, in a numerical reasoning task, a span extraction head extracts from the input the arguments to a computation that results in a number generated by a target generative head. In addition, a summarization head that is trained with a target question answering head, outputs query-based summaries when given a question and a context from which the answer is to be extracted. This emergent behaviour suggests that multi-task training leads to non-trivial extrapolation of skills, which can be harnessed for interpretability and generalization.

Self-learning paradigms in large-scale conversational AI agents tend to leverage user feedback in bridging between what they say and what they mean. However, such learning, particularly in Markov-based query rewriting systems have far from addressed the impact of these models on future training where successive feedback is inevitably contingent on the rewrite itself, especially in a continually updating environment. In this paper, we explore the consequences of this inherent lack of self-awareness towards impairing the model performance, ultimately resulting in both Type I and II errors over time. To that end, we propose augmenting the Markov Graph construction with a superposition-based adjacency matrix. Here, our method leverages an induced stochasticity to reactively learn a locally-adaptive decision boundary based on the performance of the individual rewrites in a bi-variate beta setting. We also surface a data augmentation strategy that leverages template-based generation in abridging complex conversation hierarchies of dialogs so as to simplify the learning process. All in all, we demonstrate that our self-aware model improves the overall PR-AUC by 27.45%, achieves a relative defect reduction of up to 31.22%, and is able to adapt quicker to changes in global preferences across a large number of customers.

Self-supervised learning is a promising paradigm in deep learning that enables learning from unlabeled data by constructing pretext tasks that require learning useful representations. In natural language processing, the dominant pretext task has been masked language modeling (MLM), while in computer vision there exists an equivalent called Masked Image Modeling (MIM). However, MIM is challenging because it requires predicting semantic content in accurate locations. E.g, given an incomplete picture of a dog, we can guess that there is a tail, but we cannot determine its exact location. In this work, we propose FlexPredict, a stochastic model that addresses this challenge by incorporating location uncertainty into the model. Specifically, we condition the model on stochastic masked token positions to guide the model toward learning features that are more robust to location uncertainties. Our approach improves downstream performance on a range of tasks, e.g, compared to MIM baselines, FlexPredict boosts ImageNet linear probing by 1.6% with ViT-B and by 2.5% for semi-supervised video segmentation using ViT-L.

Large language models (LLMs) have achieved remarkable progress in linguistic tasks, necessitating robust evaluation frameworks to understand their capabilities and limitations. Inspired by Feynman's principle of understanding through creation, we introduce a self-knowledge evaluation framework that is easy to implement, evaluating models on their ability to comprehend and respond to self-generated questions. Our findings, based on testing multiple models across diverse tasks, reveal significant gaps in the model's self-knowledge ability. Further analysis indicates these gaps may be due to misalignment with human attention mechanisms. Additionally, fine-tuning on self-generated math task may enhance the model's math performance, highlighting the potential of the framework for efficient and insightful model evaluation and may also contribute to the improvement of LLMs.

How do humans learn language, and can the first language be learned at all? These fundamental questions are still hotly debated. In contemporary linguistics, there are two major schools of thought that give completely opposite answers. According to Chomsky's theory of universal grammar, language cannot be learned because children are not exposed to sufficient data in their linguistic environment. In contrast, usage-based models of language assume a profound relationship between language structure and language use. In particular, contextual mental processing and mental representations are assumed to have the cognitive capacity to capture the complexity of actual language use at all levels. The prime example is syntax, i.e., the rules by which words are assembled into larger units such as sentences. Typically, syntactic rules are expressed as sequences of word classes. However, it remains unclear whether word classes are innate, as implied by universal grammar, or whether they emerge during language acquisition, as suggested by usage-based approaches. Here, we address this issue from a machine learning and natural language processing perspective. In particular, we trained an artificial deep neural network on predicting the next word, provided sequences of consecutive words as input. Subsequently, we analyzed the emerging activation patterns in the hidden layers of the neural network. Strikingly, we find that the internal representations of nine-word input sequences cluster according to the word class of the tenth word to be predicted as output, even though the neural network did not receive any explicit information about syntactic rules or word classes during training. This surprising result suggests, that also in the human brain, abstract representational categories such as word classes may naturally emerge as a consequence of predictive coding and processing during language acquisition.

A major open problem in neural machine translation (NMT) is the translation of idiomatic expressions, such as "under the weather". The meaning of these expressions is not composed by the meaning of their constituent words, and NMT models tend to translate them literally (i.e., word-by-word), which leads to confusing and nonsensical translations. Research on idioms in NMT is limited and obstructed by the absence of automatic methods for quantifying these errors. In this work, first, we propose a novel metric for automatically measuring the frequency of literal translation errors without human involvement. Equipped with this metric, we present controlled translation experiments with models trained in different conditions (with/without the test-set idioms) and across a wide range of (global and targeted) metrics and test sets. We explore the role of monolingual pretraining and find that it yields substantial targeted improvements, even without observing any translation examples of the test-set idioms. In our analysis, we probe the role of idiom context. We find that the randomly initialized models are more local or "myopic" as they are relatively unaffected by variations of the idiom context, unlike the pretrained ones.

Answering complex natural language questions often necessitates multi-step reasoning and integrating external information. Several systems have combined knowledge retrieval with a large language model (LLM) to answer such questions. These systems, however, suffer from various failure cases, and we cannot directly train them end-to-end to fix such failures, as interaction with external knowledge is non-differentiable. To address these deficiencies, we define a ReAct-style LLM agent with the ability to reason and act upon external knowledge. We further refine the agent through a ReST-like method that iteratively trains on previous trajectories, employing growing-batch reinforcement learning with AI feedback for continuous self-improvement and self-distillation. Starting from a prompted large model and after just two iterations of the algorithm, we can produce a fine-tuned small model that achieves comparable performance on challenging compositional question-answering benchmarks with two orders of magnitude fewer parameters.

Large Language Models (LLMs) are deployed as powerful tools for several natural language processing (NLP) applications. Recent works show that modern LLMs can generate self-explanations (SEs), which elicit their intermediate reasoning steps for explaining their behavior. Self-explanations have seen widespread adoption owing to their conversational and plausible nature. However, there is little to no understanding of their faithfulness. In this work, we discuss the dichotomy between faithfulness and plausibility in SEs generated by LLMs. We argue that while LLMs are adept at generating plausible explanations -- seemingly logical and coherent to human users -- these explanations do not necessarily align with the reasoning processes of the LLMs, raising concerns about their faithfulness. We highlight that the current trend towards increasing the plausibility of explanations, primarily driven by the demand for user-friendly interfaces, may come at the cost of diminishing their faithfulness. We assert that the faithfulness of explanations is critical in LLMs employed for high-stakes decision-making. Moreover, we urge the community to identify the faithfulness requirements of real-world applications and ensure explanations meet those needs. Finally, we propose some directions for future work, emphasizing the need for novel methodologies and frameworks that can enhance the faithfulness of self-explanations without compromising their plausibility, essential for the transparent deployment of LLMs in diverse high-stakes domains.

Despite serving as the foundation models for a wide range of NLP benchmarks, pre-trained language models have shown limited capabilities of acquiring implicit commonsense knowledge from self-supervision alone, compared to learning linguistic and factual knowledge that appear more explicitly in the surface patterns in text. In this work, we introduce commonsense knowledge transfer, a framework to transfer the commonsense knowledge stored in a neural commonsense knowledge model to a general-purpose pre-trained language model. It first exploits general texts to form queries for extracting commonsense knowledge from the neural commonsense knowledge model and then refines the language model with two self-supervised objectives: commonsense mask infilling and commonsense relation prediction, which align human language with the underlying commonsense knowledge. Empirical results show that our approach consistently improves the model's performance on downstream tasks that require commonsense reasoning. Moreover, we find that the improvement is more significant in the few-shot setting. This suggests that our approach helps language models better transfer to downstream tasks without extensive supervision by injecting commonsense knowledge into their parameters.

The recent release of OpenAI's o1 models and other similar frameworks showcasing test-time scaling laws has demonstrated their exceptional capability to tackle complex reasoning tasks. Inspired by this, subsequent research has revealed that such test-time scaling laws hinge on the model's ability to search both within a single response (intra-response) and across multiple responses (inter-response) during training. Crucially, beyond selecting a single optimal response, the model must also develop robust self-correction capabilities within its own outputs. However, training models to achieve effective self-evaluation and self-correction remains a significant challenge, heavily dependent on the quality of self-reflection data. In this paper, we address this challenge by focusing on enhancing the quality of self-reflection data generation for complex problem-solving, which can subsequently improve the training of next-generation large language models (LLMs). Specifically, we explore how manually triggering a model's self-correction mechanisms can improve performance on challenging reasoning tasks. To this end, we propose a novel iterative deepening sampling algorithm framework designed to enhance self-correction and generate higher-quality samples. Through extensive experiments on Math500 and AIME benchmarks, we demonstrate that our method achieves a higher success rate on difficult tasks and provide detailed ablation studies to analyze its effectiveness across diverse settings.

The alignments of reasoning abilities between smaller and larger Language Models are largely conducted via Supervised Fine-Tuning (SFT) using demonstrations generated from robust Large Language Models (LLMs). Although these approaches deliver more performant models, they do not show sufficiently strong generalization ability as the training only relies on the provided demonstrations. In this paper, we propose the Self-refine Instruction-tuning method that elicits Smaller Language Models to self-refine their abilities. Our approach is based on a two-stage process, where reasoning abilities are first transferred between LLMs and Small Language Models (SLMs) via Instruction-tuning on demonstrations provided by LLMs, and then the instructed models Self-refine their abilities through preference optimization strategies. In particular, the second phase operates refinement heuristics based on the Direct Preference Optimization algorithm, where the SLMs are elicited to deliver a series of reasoning paths by automatically sampling the generated responses and providing rewards using ground truths from the LLMs. Results obtained on commonsense and math reasoning tasks show that this approach significantly outperforms Instruction-tuning in both in-domain and out-domain scenarios, aligning the reasoning abilities of Smaller and Larger Language Models.

A key requirement for graph neural networks is that they must process a graph in a way that does not depend on how the graph is described. Traditionally this has been taken to mean that a graph network must be equivariant to node permutations. Here we show that instead of equivariance, the more general concept of naturality is sufficient for a graph network to be well-defined, opening up a larger class of graph networks. We define global and local natural graph networks, the latter of which are as scalable as conventional message passing graph neural networks while being more flexible. We give one practical instantiation of a natural network on graphs which uses an equivariant message network parameterization, yielding good performance on several benchmarks.

Neural networks have become an increasingly popular tool for solving many real-world problems. They are a general framework for differentiable optimization which includes many other machine learning approaches as special cases. In this thesis we build a category-theoretic formalism around a class of neural networks exemplified by CycleGAN. CycleGAN is a collection of neural networks, closed under composition, whose inductive bias is increased by enforcing composition invariants, i.e. cycle-consistencies. Inspired by Functorial Data Migration, we specify the interconnection of these networks using a categorical schema, and network instances as set-valued functors on this schema. We also frame neural network architectures, datasets, models, and a number of other concepts in a categorical setting and thus show a special class of functors, rather than functions, can be learned using gradient descent. We use the category-theoretic framework to conceive a novel neural network architecture whose goal is to learn the task of object insertion and object deletion in images with unpaired data. We test the architecture on three different datasets and obtain promising results.

Entailment has been recognized as an important metric for evaluating natural language understanding (NLU) models, and recent studies have found that entailment pretraining benefits weakly supervised fine-tuning. In this work, we design a prompting strategy that formulates a number of different NLU tasks as contextual entailment. This approach improves the zero-shot adaptation of pretrained entailment models. Secondly, we notice that self-training entailment-based models with unlabeled data can significantly improve the adaptation performance on downstream tasks. To achieve more stable improvement, we propose the Simple Pseudo-Label Editing (SimPLE) algorithm for better pseudo-labeling quality in self-training. We also found that both pretrained entailment-based models and the self-trained models are robust against adversarial evaluation data. Experiments on binary and multi-class classification tasks show that SimPLE leads to more robust self-training results, indicating that the self-trained entailment models are more efficient and trustworthy than large language models on language understanding tasks.

We introduce a design strategy for neural network macro-architecture based on self-similarity. Repeated application of a simple expansion rule generates deep networks whose structural layouts are precisely truncated fractals. These networks contain interacting subpaths of different lengths, but do not include any pass-through or residual connections; every internal signal is transformed by a filter and nonlinearity before being seen by subsequent layers. In experiments, fractal networks match the excellent performance of standard residual networks on both CIFAR and ImageNet classification tasks, thereby demonstrating that residual representations may not be fundamental to the success of extremely deep convolutional neural networks. Rather, the key may be the ability to transition, during training, from effectively shallow to deep. We note similarities with student-teacher behavior and develop drop-path, a natural extension of dropout, to regularize co-adaptation of subpaths in fractal architectures. Such regularization allows extraction of high-performance fixed-depth subnetworks. Additionally, fractal networks exhibit an anytime property: shallow subnetworks provide a quick answer, while deeper subnetworks, with higher latency, provide a more accurate answer.

Pre-trained large language models (LLMs) can be tailored to adhere to human instructions through instruction tuning. However, due to shifts in the distribution of test-time data, they may not always execute instructions accurately, potentially generating factual errors or misaligned content when acting as chat assistants. To enhance the reliability of LLMs in following instructions, we propose the study of selective instruction following, whereby the system declines to execute instructions if the anticipated response quality is low. We train judge models that can predict numerical quality scores for model responses. To address data scarcity, we introduce Self-J, a novel self-training framework for developing judge models without needing human-annotated quality scores. Our method leverages the model's inherent self-evaluation capability to extract information about response quality from labeled instruction-tuning data. It incorporates a gold reference answer to facilitate self-evaluation and recalibrates by assessing the semantic similarity between the response sample and the gold reference. During the training phase, we implement self-distillation as a regularization technique to enhance the capability of reference-free estimation. To validate alignment evaluation on general instruction-following tasks, we collect large-scale high-quality instructions from Hugging Face for model training and evaluation. Extensive experiments on five open-source models show that our method correlates much more with GPT-4 than strong baselines, e.g., supervised models distilled from GPT-4 and GPT-3.5-turbo. Our analysis shows our model's strong generalization across domains. Additionally, our judge models serve as good reward models, e.g., boosting WizardLM-13B-V1.2 from 89.17 to 92.48 and from 12.03 to 15.90 in version v1 and v2 of AlpacaEval respectively using best-of-32 sampling with our judge models.

We describe a new class of learning models called memory networks. Memory networks reason with inference components combined with a long-term memory component; they learn how to use these jointly. The long-term memory can be read and written to, with the goal of using it for prediction. We investigate these models in the context of question answering (QA) where the long-term memory effectively acts as a (dynamic) knowledge base, and the output is a textual response. We evaluate them on a large-scale QA task, and a smaller, but more complex, toy task generated from a simulated world. In the latter, we show the reasoning power of such models by chaining multiple supporting sentences to answer questions that require understanding the intension of verbs.

The ever-growing availability of unlabeled data presents both opportunities and challenges for training artificial intelligence systems. While self-supervised learning (SSL) has emerged as a powerful paradigm for extracting meaningful representations from vast amounts of unlabeled data, existing methods still struggle to adapt to the non-stationary, non-IID nature of real-world data streams without forgetting previously learned knowledge. Recent works have adopted a repeated cosine annealing schedule for large-scale continual pre-training; however, these schedules (1) inherently cause forgetting during the re-warming phase and (2) have not been systematically compared to existing continual SSL methods. In this work, we systematically compare the widely used cosine schedule with the recently proposed infinite learning rate schedule and empirically find the latter to be a more effective alternative. Our extensive empirical evaluation across diverse image and language datasets demonstrates that the infinite learning rate schedule consistently enhances continual pre-training performance compared to a repeated cosine decay without being restricted to a fixed iteration budget. For instance, in a small-scale MAE pre-training setup, it outperforms several strong baselines from the literature. We then scale up our experiments to larger MAE pre-training and autoregressive language model pre-training. Our results show that the infinite learning rate schedule remains effective at scale, surpassing repeated cosine decay for both MAE pre-training and zero-shot LM benchmarks.

The reflection capacity of Large Language Model (LLM) has garnered extensive attention. A post-hoc prompting strategy, e.g., reflexion and self-refine, refines LLM's response based on self-evaluated or external feedback. However, recent research indicates without external feedback, LLM's intrinsic reflection is unstable. Our investigation unveils that the key bottleneck is the quality of the self-evaluated feedback. We find LLMs often exhibit overconfidence or high randomness when self-evaluate, offering stubborn or inconsistent feedback, which causes poor reflection. To remedy this, we advocate Self-Contrast: It adaptively explores diverse solving perspectives tailored to the request, contrasts the differences, and summarizes these discrepancies into a checklist which could be used to re-examine and eliminate discrepancies. Our method endows LLM with diverse perspectives to alleviate stubborn biases. Moreover, their discrepancies indicate potential errors or inherent uncertainties that LLM often overlooks. Reflecting upon these can catalyze more accurate and stable reflection. Experiments conducted on a series of reasoning and translation tasks with different LLMs serve to underscore the effectiveness and generality of our strategy.

We reformulate the problem of supervised learning as learning to learn with two nested loops (i.e. learning problems). The inner loop learns on each individual instance with self-supervision before final prediction. The outer loop learns the self-supervised task used by the inner loop, such that its final prediction improves. Our inner loop turns out to be equivalent to linear attention when the inner-loop learner is only a linear model, and to self-attention when it is a kernel estimator. For practical comparison with linear or self-attention layers, we replace each of them in a transformer with an inner loop, so our outer loop is equivalent to training the architecture. When each inner-loop learner is a neural network, our approach vastly outperforms transformers with linear attention on ImageNet from 224 x 224 raw pixels in both accuracy and FLOPs, while (regular) transformers cannot run.

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks - neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.

Countless learning tasks require dealing with sequential data. Image captioning, speech synthesis, and music generation all require that a model produce outputs that are sequences. In other domains, such as time series prediction, video analysis, and musical information retrieval, a model must learn from inputs that are sequences. Interactive tasks, such as translating natural language, engaging in dialogue, and controlling a robot, often demand both capabilities. Recurrent neural networks (RNNs) are connectionist models that capture the dynamics of sequences via cycles in the network of nodes. Unlike standard feedforward neural networks, recurrent networks retain a state that can represent information from an arbitrarily long context window. Although recurrent neural networks have traditionally been difficult to train, and often contain millions of parameters, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful large-scale learning with them. In recent years, systems based on long short-term memory (LSTM) and bidirectional (BRNN) architectures have demonstrated ground-breaking performance on tasks as varied as image captioning, language translation, and handwriting recognition. In this survey, we review and synthesize the research that over the past three decades first yielded and then made practical these powerful learning models. When appropriate, we reconcile conflicting notation and nomenclature. Our goal is to provide a self-contained explication of the state of the art together with a historical perspective and references to primary research.

Memory is one of the most essential cognitive functions serving as a repository of world knowledge and episodes of activities. In recent years, large-scale pre-trained language models have shown remarkable memorizing ability. On the contrary, vanilla neural networks without pre-training have been long observed suffering from the catastrophic forgetting problem. To investigate such a retentive-forgetful contradiction and understand the memory mechanism of language models, we conduct thorough experiments by controlling the target knowledge types, the learning strategies and the learning schedules. We find that: 1) Vanilla language models are forgetful; 2) Pre-training leads to retentive language models; 3) Knowledge relevance and diversification significantly influence the memory formation. These conclusions are useful for understanding the abilities of pre-trained language models and shed light on designing and evaluating new learning and inference algorithms of language models.

The ability to learn tasks in a sequential fashion is crucial to the development of artificial intelligence. Neural networks are not, in general, capable of this and it has been widely thought that catastrophic forgetting is an inevitable feature of connectionist models. We show that it is possible to overcome this limitation and train networks that can maintain expertise on tasks which they have not experienced for a long time. Our approach remembers old tasks by selectively slowing down learning on the weights important for those tasks. We demonstrate our approach is scalable and effective by solving a set of classification tasks based on the MNIST hand written digit dataset and by learning several Atari 2600 games sequentially.

Deep learning has proven itself as a successful set of models for learning useful semantic representations of data. These, however, are mostly implicitly learned as part of a classification task. In this paper we propose the triplet network model, which aims to learn useful representations by distance comparisons. A similar model was defined by Wang et al. (2014), tailor made for learning a ranking for image information retrieval. Here we demonstrate using various datasets that our model learns a better representation than that of its immediate competitor, the Siamese network. We also discuss future possible usage as a framework for unsupervised learning.

Large Language Models (LLMs) can correct their self-generated responses, but a decline in accuracy after self-correction is also witnessed. To have a deeper understanding of self-correction, we endeavor to decompose, evaluate, and analyze the self-correction behaviors of LLMs. By enumerating and analyzing answer correctness before and after self-correction, we decompose the self-correction capability into confidence (being confident to correct answers) and critique (turning wrong answers to correct) capabilities, and propose two metrics from a probabilistic perspective to measure these 2 capabilities, along with another metric for overall self-correction capability evaluation. Based on our decomposition and evaluation metrics, we conduct extensive experiments and draw some empirical conclusions. For example, we find different models can exhibit distinct behaviors: some models are confident while others are more critical. We also find the trade-off between the two capabilities (i.e. improving one can lead to a decline in the other) when manipulating model self-correction behavior by prompts or in-context learning. Further, we find a simple yet efficient strategy to improve self-correction capability by transforming Supervision Fine-Tuning (SFT) data format, and our strategy outperforms vanilla SFT in both capabilities and achieves much higher accuracy after self-correction. Our code will be publicly available on GitHub.

How do large language models (LLMs) obtain their answers? The ability to explain and control an LLM's reasoning process is key for reliability, transparency, and future model developments. We propose SelfIE (Self-Interpretation of Embeddings), a framework that enables LLMs to interpret their own embeddings in natural language by leveraging their ability to respond inquiry about a given passage. Capable of interpreting open-world concepts in the hidden embeddings, SelfIE reveals LLM internal reasoning in cases such as making ethical decisions, internalizing prompt injection, and recalling harmful knowledge. SelfIE's text descriptions on hidden embeddings also open up new avenues to control LLM reasoning. We propose Supervised Control, which allows editing open-ended concepts while only requiring gradient computation of individual layer. We extend RLHF to hidden embeddings and propose Reinforcement Control that erases harmful knowledge in LLM without supervision targets.

This paper presents a new sequence-to-sequence pre-training model called ProphetNet, which introduces a novel self-supervised objective named future n-gram prediction and the proposed n-stream self-attention mechanism. Instead of optimizing one-step-ahead prediction in the traditional sequence-to-sequence model, the ProphetNet is optimized by n-step ahead prediction that predicts the next n tokens simultaneously based on previous context tokens at each time step. The future n-gram prediction explicitly encourages the model to plan for the future tokens and prevent overfitting on strong local correlations. We pre-train ProphetNet using a base scale dataset (16GB) and a large-scale dataset (160GB), respectively. Then we conduct experiments on CNN/DailyMail, Gigaword, and SQuAD 1.1 benchmarks for abstractive summarization and question generation tasks. Experimental results show that ProphetNet achieves new state-of-the-art results on all these datasets compared to the models using the same scale pre-training corpus.

The ability to learn different tasks sequentially is essential to the development of artificial intelligence. In general, neural networks lack this capability, the major obstacle being catastrophic forgetting. It occurs when the incrementally available information from non-stationary data distributions is continually acquired, disrupting what the model has already learned. Our approach remembers old tasks by projecting the representations of new tasks close to that of old tasks while keeping the decision boundaries unchanged. We employ the center loss as a regularization penalty that enforces new tasks' features to have the same class centers as old tasks and makes the features highly discriminative. This, in turn, leads to the least forgetting of already learned information. This method is easy to implement, requires minimal computational and memory overhead, and allows the neural network to maintain high performance across many sequentially encountered tasks. We also demonstrate that using the center loss in conjunction with the memory replay outperforms other replay-based strategies. Along with standard MNIST variants for continual learning, we apply our method to continual domain adaptation scenarios with the Digits and PACS datasets. We demonstrate that our approach is scalable, effective, and gives competitive performance compared to state-of-the-art continual learning methods.

Extensive work has shown that the performance and interpretability of commonsense reasoning can be improved via knowledge-augmented reasoning methods, where the knowledge that underpins the reasoning process is explicitly verbalized and utilized. However, existing implementations, including "chain-of-thought" and its variants, fall short in capturing the introspective nature of knowledge required in commonsense reasoning, and in accounting for the mutual adaptation between the generation and utilization of knowledge. We propose a novel method to develop an introspective commonsense reasoner, Crystal. To tackle commonsense problems, it first introspects for knowledge statements related to the given question, and subsequently makes an informed prediction that is grounded in the previously introspected knowledge. The knowledge introspection and knowledge-grounded reasoning modes of the model are tuned via reinforcement learning to mutually adapt, where the reward derives from the feedback given by the model itself. Experiments show that Crystal significantly outperforms both the standard supervised finetuning and chain-of-thought distilled methods, and enhances the transparency of the commonsense reasoning process. Our work ultimately validates the feasibility and potential of reinforcing a neural model with self-feedback.

We show that both an LSTM and a unitary-evolution recurrent neural network (URN) can achieve encouraging accuracy on two types of syntactic patterns: context-free long distance agreement, and mildly context-sensitive cross serial dependencies. This work extends recent experiments on deeply nested context-free long distance dependencies, with similar results. URNs differ from LSTMs in that they avoid non-linear activation functions, and they apply matrix multiplication to word embeddings encoded as unitary matrices. This permits them to retain all information in the processing of an input string over arbitrary distances. It also causes them to satisfy strict compositionality. URNs constitute a significant advance in the search for explainable models in deep learning applied to NLP.

The recent success of Large Language Models (LLMs) has catalyzed an increasing interest in their self-correction capabilities. This paper presents a comprehensive investigation into the intrinsic self-correction of LLMs, attempting to address the ongoing debate about its feasibility. Our research has identified an important latent factor - the "confidence" of LLMs - during the self-correction process. Overlooking this factor may cause the models to over-criticize themselves, resulting in unreliable conclusions regarding the efficacy of self-correction. We have experimentally observed that LLMs possess the capability to understand the "confidence" in their own responses. It motivates us to develop an "If-or-Else" (IoE) prompting framework, designed to guide LLMs in assessing their own "confidence", facilitating intrinsic self-corrections. We conduct extensive experiments and demonstrate that our IoE-based Prompt can achieve a consistent improvement regarding the accuracy of self-corrected responses over the initial answers. Our study not only sheds light on the underlying factors affecting self-correction in LLMs, but also introduces a practical framework that utilizes the IoE prompting principle to efficiently improve self-correction capabilities with "confidence". The code is available at https://github.com/MBZUAI-CLeaR/IoE-Prompting.git.

The Transformer architecture consists of self-attention and feed-forward networks (FFNs) which can be viewed as key-value memories according to previous works. However, FFN and traditional memory utilize different activation functions (i.e., ReLU and Softmax respectively), which makes them not equivalent. In this paper, we first rebuild the connections between FFN and key-value memory by conducting extensive studies on ReLU and Softmax, and find they are equivalent when adding an additional layer normalization module on Softmax. In addition, ReLU outperforms Softmax on both FFN and key-value memory when the number of value slots is large. We analyze the reasons and then explore this good property of ReLU on the self-attention network where the original Softmax activation performs poorly on long input sequences. We then propose a full ReLU architecture named ReLUFormer which performs better than the baseline Transformer on long sequence tasks such as document translation. This paper sheds light on the following points: 1) Softmax and ReLU use different normalization methods over elements which lead to different variances of results, and ReLU is good at dealing with a large number of key-value slots; 2) FFN and key-value memory are equivalent, and thus the Transformer can be viewed as a memory network where FFNs and self-attention networks are both key-value memories.

We address whether neural models for Natural Language Inference (NLI) can learn the compositional interactions between lexical entailment and negation, using four methods: the behavioral evaluation methods of (1) challenge test sets and (2) systematic generalization tasks, and the structural evaluation methods of (3) probes and (4) interventions. To facilitate this holistic evaluation, we present Monotonicity NLI (MoNLI), a new naturalistic dataset focused on lexical entailment and negation. In our behavioral evaluations, we find that models trained on general-purpose NLI datasets fail systematically on MoNLI examples containing negation, but that MoNLI fine-tuning addresses this failure. In our structural evaluations, we look for evidence that our top-performing BERT-based model has learned to implement the monotonicity algorithm behind MoNLI. Probes yield evidence consistent with this conclusion, and our intervention experiments bolster this, showing that the causal dynamics of the model mirror the causal dynamics of this algorithm on subsets of MoNLI. This suggests that the BERT model at least partially embeds a theory of lexical entailment and negation at an algorithmic level.

Self-training has shown great potential in semi-supervised learning. Its core idea is to use the model learned on labeled data to generate pseudo-labels for unlabeled samples, and in turn teach itself. To obtain valid supervision, active attempts typically employ a momentum teacher for pseudo-label prediction yet observe the confirmation bias issue, where the incorrect predictions may provide wrong supervision signals and get accumulated in the training process. The primary cause of such a drawback is that the prevailing self-training framework acts as guiding the current state with previous knowledge, because the teacher is updated with the past student only. To alleviate this problem, we propose a novel self-training strategy, which allows the model to learn from the future. Concretely, at each training step, we first virtually optimize the student (i.e., caching the gradients without applying them to the model weights), then update the teacher with the virtual future student, and finally ask the teacher to produce pseudo-labels for the current student as the guidance. In this way, we manage to improve the quality of pseudo-labels and thus boost the performance. We also develop two variants of our future-self-training (FST) framework through peeping at the future both deeply (FST-D) and widely (FST-W). Taking the tasks of unsupervised domain adaptive semantic segmentation and semi-supervised semantic segmentation as the instances, we experimentally demonstrate the effectiveness and superiority of our approach under a wide range of settings. Code will be made publicly available.

In recent years, self-attention has become the dominant paradigm for sequence modeling in a variety of domains. However, in domains with very long sequence lengths the O(T^2) memory and O(T^2 H) compute costs can make using transformers infeasible. Motivated by problems in malware detection, where sequence lengths of T geq 100,000 are a roadblock to deep learning, we re-cast self-attention using the neuro-symbolic approach of Holographic Reduced Representations (HRR). In doing so we perform the same high-level strategy of the standard self-attention: a set of queries matching against a set of keys, and returning a weighted response of the values for each key. Implemented as a ``Hrrformer'' we obtain several benefits including O(T H log H) time complexity, O(T H) space complexity, and convergence in 10times fewer epochs. Nevertheless, the Hrrformer achieves near state-of-the-art accuracy on LRA benchmarks and we are able to learn with just a single layer. Combined, these benefits make our Hrrformer the first viable Transformer for such long malware classification sequences and up to 280times faster to train on the Long Range Arena benchmark. Code is available at https://github.com/NeuromorphicComputationResearchProgram/Hrrformer

Critical thinking is essential for rational decision-making and problem-solving. This skill hinges on the ability to provide precise and reasoned critiques and is a hallmark of human intelligence. In the era of large language models (LLMs), this study explores the ability of LLMs to deliver accurate critiques across various tasks. We are interested in this topic as a capable critic model could not only serve as a reliable evaluator, but also as a source of supervised signals for model tuning. Particularly, if a model can self-critique, it has the potential for autonomous self-improvement. To examine this, we introduce a unified evaluation framework for assessing the critique abilities of LLMs. We develop a benchmark called CriticBench, which comprises 3K high-quality natural language queries and corresponding model responses; and annotate the correctness of these responses. The benchmark cover tasks such as math problem-solving, code completion, and question answering. We evaluate multiple LLMs on the collected dataset and our analysis reveals several noteworthy insights: (1) Critique is generally challenging for most LLMs, and this capability often emerges only when models are sufficiently large. (2) In particular, self-critique is especially difficult. Even top-performing LLMs struggle to achieve satisfactory performance. (3) Models tend to have lower critique accuracy on problems where they are most uncertain. To this end, we introduce a simple yet effective baseline named self-check, which leverages self-critique to improve task performance for various models. We hope this study serves as an initial exploration into understanding the critique abilities of LLMs, and aims to inform future research, including the development of more proficient critic models and the application of critiques across diverse tasks.

Recent work in language modeling has raised the possibility of self-improvement, where a language models evaluates and refines its own generations to achieve higher performance without external feedback. It is impossible for this self-improvement to create information that is not already in the model, so why should we expect that this will lead to improved capabilities? We offer a new perspective on the capabilities of self-improvement through a lens we refer to as sharpening. Motivated by the observation that language models are often better at verifying response quality than they are at generating correct responses, we formalize self-improvement as using the model itself as a verifier during post-training in order to ``sharpen'' the model to one placing large mass on high-quality sequences, thereby amortizing the expensive inference-time computation of generating good sequences. We begin by introducing a new statistical framework for sharpening in which the learner aims to sharpen a pre-trained base policy via sample access, and establish fundamental limits. Then we analyze two natural families of self-improvement algorithms based on SFT and RLHF. We find that (i) the SFT-based approach is minimax optimal whenever the initial model has sufficient coverage, but (ii) the RLHF-based approach can improve over SFT-based self-improvement by leveraging online exploration, bypassing the need for coverage. Finally, we empirically validate the sharpening mechanism via inference-time and amortization experiments. We view these findings as a starting point toward a foundational understanding that can guide the design and evaluation of self-improvement algorithms.

In this note we examine the autoregressive generalization of the FNet algorithm, in which self-attention layers from the standard Transformer architecture are substituted with a trivial sparse-uniformsampling procedure based on Fourier transforms. Using the Wikitext-103 benchmark, we demonstratethat FNetAR retains state-of-the-art performance (25.8 ppl) on the task of causal language modelingcompared to a Transformer-XL baseline (24.2 ppl) with only half the number self-attention layers,thus providing further evidence for the superfluity of deep neural networks with heavily compoundedattention mechanisms. The autoregressive Fourier transform could likely be used for parameterreduction on most Transformer-based time-series prediction models.

Transformer networks have lead to important progress in language modeling and machine translation. These models include two consecutive modules, a feed-forward layer and a self-attention layer. The latter allows the network to capture long term dependencies and are often regarded as the key ingredient in the success of Transformers. Building upon this intuition, we propose a new model that solely consists of attention layers. More precisely, we augment the self-attention layers with persistent memory vectors that play a similar role as the feed-forward layer. Thanks to these vectors, we can remove the feed-forward layer without degrading the performance of a transformer. Our evaluation shows the benefits brought by our model on standard character and word level language modeling benchmarks.

Language model (LM) decoding is based on the next-token prediction (NTP) probability distribution. For neural LMs (e.g., Transformer-based), NTP distribution is essentially a softmax-regularized dot product between an encoded input context (query) and fixed vocabulary representations (keys). In this paper, we study the effect of the key distribution on the NTP distribution, with a focus on whether the similarity between keys will trigger spurious correlations in NTP. Through knowledge-probing tasks, we show that in the NTP distribution, the few top-ranked tokens are typically accurate. However, the middle-ranked prediction is highly biased towards the tokens that are distributionally (not necessarily semantically) similar to these top ones. For instance, if "P" is predicted as the top-1 token, "A"-"Z" will all be ranked high in NTP, no matter whether they can lead to correct decoding results. This hurts the sampling diversity and makes the sampling of correct, long-tail results hopeless and noisy. We attempt to alleviate this issue via a novel in-context method that iteratively pushes the query representation away from explored regions. Specifically, we include the explored decoding results in the context and prompt the LM to generate something else, which encourages the LM to produce a query representation that has small dot products with explored keys. Experiments on knowledge-probing tasks show that our method leads to efficient navigation away from explored keys to correct new keys. We further extend our method to open-ended and chain-of-thought (for reasoning) generation. Experiment results show that ICN contributes to better generation diversity and improved self-consistency voting performance. Finally, we discuss potential training issues caused by the fixed key space together with the challenges and possible ways to address them in future research.

We build a dual-way neural dictionary to retrieve words given definitions, and produce definitions for queried words. The model learns the two tasks simultaneously and handles unknown words via embeddings. It casts a word or a definition to the same representation space through a shared layer, then generates the other form in a multi-task fashion. Our method achieves promising automatic scores on previous benchmarks without extra resources. Human annotators prefer the model's outputs in both reference-less and reference-based evaluation, indicating its practicality. Analysis suggests that multiple objectives benefit learning.

Self-attention has recently been adopted for a wide range of sequence modeling problems. Despite its effectiveness, self-attention suffers from quadratic compute and memory requirements with respect to sequence length. Successful approaches to reduce this complexity focused on attending to local sliding windows or a small set of locations independent of content. Our work proposes to learn dynamic sparse attention patterns that avoid allocating computation and memory to attend to content unrelated to the query of interest. This work builds upon two lines of research: it combines the modeling flexibility of prior work on content-based sparse attention with the efficiency gains from approaches based on local, temporal sparse attention. Our model, the Routing Transformer, endows self-attention with a sparse routing module based on online k-means while reducing the overall complexity of attention to Oleft(n^{1.5}dright) from Oleft(n^2dright) for sequence length n and hidden dimension d. We show that our model outperforms comparable sparse attention models on language modeling on Wikitext-103 (15.8 vs 18.3 perplexity) as well as on image generation on ImageNet-64 (3.43 vs 3.44 bits/dim) while using fewer self-attention layers. Additionally, we set a new state-of-the-art on the newly released PG-19 data-set, obtaining a test perplexity of 33.2 with a 22 layer Routing Transformer model trained on sequences of length 8192.

Transformers have emerged as a powerful tool for a broad range of natural language processing tasks. A key component that drives the impressive performance of Transformers is the self-attention mechanism that encodes the influence or dependence of other tokens on each specific token. While beneficial, the quadratic complexity of self-attention on the input sequence length has limited its application to longer sequences -- a topic being actively studied in the community. To address this limitation, we propose Nystr\"{o}mformer -- a model that exhibits favorable scalability as a function of sequence length. Our idea is based on adapting the Nystr\"{o}m method to approximate standard self-attention with O(n) complexity. The scalability of Nystr\"{o}mformer enables application to longer sequences with thousands of tokens. We perform evaluations on multiple downstream tasks on the GLUE benchmark and IMDB reviews with standard sequence length, and find that our Nystr\"{o}mformer performs comparably, or in a few cases, even slightly better, than standard self-attention. On longer sequence tasks in the Long Range Arena (LRA) benchmark, Nystr\"{o}mformer performs favorably relative to other efficient self-attention methods. Our code is available at https://github.com/mlpen/Nystromformer.

Self-consistency-based approaches, which involve repeatedly sampling multiple outputs and selecting the most consistent one as the final response, prove to be remarkably effective in improving the factual accuracy of large language models. Nonetheless, existing methods usually have strict constraints on the task format, largely limiting their applicability. In this paper, we present Integrative Decoding (ID), to unlock the potential of self-consistency in open-ended generation tasks. ID operates by constructing a set of inputs, each prepended with a previously sampled response, and then processes them concurrently, with the next token being selected by aggregating of all their corresponding predictions at each decoding step. In essence, this simple approach implicitly incorporates self-consistency in the decoding objective. Extensive evaluation shows that ID consistently enhances factuality over a wide range of language models, with substantial improvements on the TruthfulQA (+11.2%), Biographies (+15.4%) and LongFact (+8.5%) benchmarks. The performance gains amplify progressively as the number of sampled responses increases, indicating the potential of ID to scale up with repeated sampling.

Language Models (LMs) pre-trained with self-supervision on large text corpora have become the default starting point for developing models for various NLP tasks. Once the pre-training corpus has been assembled, all data samples in the corpus are treated with equal importance during LM pre-training. However, due to varying levels of relevance and quality of data, equal importance to all the data samples may not be the optimal choice. While data reweighting has been explored in the context of task-specific supervised learning and LM fine-tuning, model-driven reweighting for pre-training data has not been explored. We fill this important gap and propose PRESENCE, a method for jointly reweighting samples by leveraging self-influence (SI) scores as an indicator of sample importance and pre-training. PRESENCE promotes novelty and stability for model pre-training. Through extensive analysis spanning multiple model sizes, datasets, and tasks, we present PRESENCE as an important first step in the research direction of sample reweighting for pre-training language models.

Neural networks have proven to be a highly effective tool for solving complex problems in many areas of life. Recently, their importance and practical usability have further been reinforced with the advent of deep learning. One of the important conditions for the success of neural networks is the choice of an appropriate activation function introducing non-linearity into the model. Many types of these functions have been proposed in the literature in the past, but there is no single comprehensive source containing their exhaustive overview. The absence of this overview, even in our experience, leads to redundancy and the unintentional rediscovery of already existing activation functions. To bridge this gap, our paper presents an extensive survey involving 400 activation functions, which is several times larger in scale than previous surveys. Our comprehensive compilation also references these surveys; however, its main goal is to provide the most comprehensive overview and systematization of previously published activation functions with links to their original sources. The secondary aim is to update the current understanding of this family of functions.

Neural Memory Networks (NMNs) have received increased attention in recent years compared to deep architectures that use a constrained memory. Despite their new appeal, the success of NMNs hinges on the ability of the gradient-based optimiser to perform incremental training of the NMN controllers, determining how to leverage their high capacity for knowledge retrieval. This means that while excellent performance can be achieved when the training data is consistent and well distributed, rare data samples are hard to learn from as the controllers fail to incorporate them effectively during model training. Drawing inspiration from the human cognition process, in particular the utilisation of neuromodulators in the human brain, we propose to decouple the learning process of the NMN controllers to allow them to achieve flexible, rapid adaptation in the presence of new information. This trait is highly beneficial for meta-learning tasks where the memory controllers must quickly grasp abstract concepts in the target domain, and adapt stored knowledge. This allows the NMN controllers to quickly determine which memories are to be retained and which are to be erased, and swiftly adapt their strategy to the new task at hand. Through both quantitative and qualitative evaluations on multiple public benchmarks, including classification and regression tasks, we demonstrate the utility of the proposed approach. Our evaluations not only highlight the ability of the proposed NMN architecture to outperform the current state-of-the-art methods, but also provide insights on how the proposed augmentations help achieve such superior results. In addition, we demonstrate the practical implications of the proposed learning strategy, where the feedback path can be shared among multiple neural memory networks as a mechanism for knowledge sharing.

Graph neural networks (GNNs) are effective models for representation learning on relational data. However, standard GNNs are limited in their expressive power, as they cannot distinguish graphs beyond the capability of the Weisfeiler-Leman graph isomorphism heuristic. In order to break this expressiveness barrier, GNNs have been enhanced with random node initialization (RNI), where the idea is to train and run the models with randomized initial node features. In this work, we analyze the expressive power of GNNs with RNI, and prove that these models are universal, a first such result for GNNs not relying on computationally demanding higher-order properties. This universality result holds even with partially randomized initial node features, and preserves the invariance properties of GNNs in expectation. We then empirically analyze the effect of RNI on GNNs, based on carefully constructed datasets. Our empirical findings support the superior performance of GNNs with RNI over standard GNNs.

We study the fractal structure of language, aiming to provide a precise formalism for quantifying properties that may have been previously suspected but not formally shown. We establish that language is: (1) self-similar, exhibiting complexities at all levels of granularity, with no particular characteristic context length, and (2) long-range dependent (LRD), with a Hurst parameter of approximately H=0.70. Based on these findings, we argue that short-term patterns/dependencies in language, such as in paragraphs, mirror the patterns/dependencies over larger scopes, like entire documents. This may shed some light on how next-token prediction can lead to a comprehension of the structure of text at multiple levels of granularity, from words and clauses to broader contexts and intents. We also demonstrate that fractal parameters improve upon perplexity-based bits-per-byte (BPB) in predicting downstream performance. We hope these findings offer a fresh perspective on language and the mechanisms underlying the success of LLMs.

Language exhibits a fractal structure in its information-theoretic complexity (i.e. bits per token), with self-similarity across scales and long-range dependence (LRD). In this work, we investigate whether large language models (LLMs) can replicate such fractal characteristics and identify conditions-such as temperature setting and prompting method-under which they may fail. Moreover, we find that the fractal parameters observed in natural language are contained within a narrow range, whereas those of LLMs' output vary widely, suggesting that fractal parameters might prove helpful in detecting a non-trivial portion of LLM-generated texts. Notably, these findings, and many others reported in this work, are robust to the choice of the architecture; e.g. Gemini 1.0 Pro, Mistral-7B and Gemma-2B. We also release a dataset comprising of over 240,000 articles generated by various LLMs (both pretrained and instruction-tuned) with different decoding temperatures and prompting methods, along with their corresponding human-generated texts. We hope that this work highlights the complex interplay between fractal properties, prompting, and statistical mimicry in LLMs, offering insights for generating, evaluating and detecting synthetic texts.

Although Transformers with fully connected self-attentions are powerful to model long-term dependencies, they are struggling to scale to long texts with thousands of words in language modeling. One of the solutions is to equip the model with a recurrence memory. However, existing approaches directly reuse hidden states from the previous segment that encodes contexts in a uni-directional way. As a result, this prohibits the memory to dynamically interact with the current context that provides up-to-date information for token prediction. To remedy this issue, we propose Look-Ahead Memory (LaMemo) that enhances the recurrence memory by incrementally attending to the right-side tokens, and interpolating with the old memory states to maintain long-term information in the history. LaMemo embraces bi-directional attention and segment recurrence with an additional computation overhead only linearly proportional to the memory length. Experiments on widely used language modeling benchmarks demonstrate its superiority over the baselines equipped with different types of memory.

Large language models (LLMs) often struggle to provide up-to-date information due to their one-time training and the constantly evolving nature of the world. To keep LLMs current, existing approaches typically involve continued pre-training on new documents. However, they frequently face difficulties in extracting stored knowledge. Motivated by the remarkable success of the Feynman Technique in efficient human learning, we introduce Self-Tuning, a learning framework aimed at improving an LLM's ability to effectively acquire new knowledge from raw documents through self-teaching. Specifically, we develop a Self-Teaching strategy that augments the documents with a set of knowledge-intensive tasks created in a self-supervised manner, focusing on three crucial aspects: memorization, comprehension, and self-reflection. Additionally, we introduce three Wiki-Newpages-2023-QA datasets to facilitate an in-depth analysis of an LLM's knowledge acquisition ability concerning memorization, extraction, and reasoning. Extensive experimental results on Llama2 family models reveal that Self-Tuning consistently exhibits superior performance across all knowledge acquisition tasks and excels in preserving previous knowledge.

The last decade has witnessed a boom of deep learning research and applications achieving state-of-the-art results in various domains. However, most advances have been established empirically, and their theoretical analysis remains lacking. One major issue is that our current interpretation of neural networks (NNs) as function approximators is too generic to support in-depth analysis. In this paper, we remedy this by proposing an alternative interpretation that identifies NNs as chain graphs (CGs) and feed-forward as an approximate inference procedure. The CG interpretation specifies the nature of each NN component within the rich theoretical framework of probabilistic graphical models, while at the same time remains general enough to cover real-world NNs with arbitrary depth, multi-branching and varied activations, as well as common structures including convolution / recurrent layers, residual block and dropout. We demonstrate with concrete examples that the CG interpretation can provide novel theoretical support and insights for various NN techniques, as well as derive new deep learning approaches such as the concept of partially collapsed feed-forward inference. It is thus a promising framework that deepens our understanding of neural networks and provides a coherent theoretical formulation for future deep learning research.

Natural language is an appealing medium for explaining how large language models process and store information, but evaluating the faithfulness of such explanations is challenging. To help address this, we develop two modes of evaluation for natural language explanations that claim individual neurons represent a concept in a text input. In the observational mode, we evaluate claims that a neuron a activates on all and only input strings that refer to a concept picked out by the proposed explanation E. In the intervention mode, we construe E as a claim that the neuron a is a causal mediator of the concept denoted by E. We apply our framework to the GPT-4-generated explanations of GPT-2 XL neurons of Bills et al. (2023) and show that even the most confident explanations have high error rates and little to no causal efficacy. We close the paper by critically assessing whether natural language is a good choice for explanations and whether neurons are the best level of analysis.

In this study, we investigated the effects of self-reflection in large language models (LLMs) on problem-solving performance. We instructed nine popular LLMs to answer a series of multiple-choice questions to provide a performance baseline. For each incorrectly answered question, we instructed eight types of self-reflecting LLM agents to reflect on their mistakes and provide themselves with guidance to improve problem-solving. Then, using this guidance, each self-reflecting agent attempted to re-answer the same questions. Our results indicate that LLM agents are able to significantly improve their problem-solving performance through self-reflection (p < 0.001). In addition, we compared the various types of self-reflection to determine their individual contribution to performance. All code and data are available on GitHub at https://github.com/matthewrenze/self-reflection

We present Self Meta Pseudo Labels, a novel semi-supervised learning method similar to Meta Pseudo Labels but without the teacher model. We introduce a novel way to use a single model for both generating pseudo labels and classification, allowing us to store only one model in memory instead of two. Our method attains similar performance to the Meta Pseudo Labels method while drastically reducing memory usage.

Transformers use the dense self-attention mechanism which gives a lot of flexibility for long-range connectivity. Over multiple layers of a deep transformer, the number of possible connectivity patterns increases exponentially. However, very few of these contribute to the performance of the network, and even fewer are essential. We hypothesize that there are sparsely connected sub-networks within a transformer, called information pathways which can be trained independently. However, the dynamic (i.e., input-dependent) nature of these pathways makes it difficult to prune dense self-attention during training. But the overall distribution of these pathways is often predictable. We take advantage of this fact to propose Stochastically Subsampled self-Attention (SSA) - a general-purpose training strategy for transformers that can reduce both the memory and computational cost of self-attention by 4 to 8 times during training while also serving as a regularization method - improving generalization over dense training. We show that an ensemble of sub-models can be formed from the subsampled pathways within a network, which can achieve better performance than its densely attended counterpart. We perform experiments on a variety of NLP, computer vision and graph learning tasks in both generative and discriminative settings to provide empirical evidence for our claims and show the effectiveness of the proposed method.

With advancements in self-supervised learning, the availability of trillions tokens in a pre-training corpus, instruction fine-tuning, and the development of large Transformers with billions of parameters, large language models (LLMs) are now capable of generating factual and coherent responses to human queries. However, the mixed quality of training data can lead to the generation of undesired responses, presenting a significant challenge. Over the past two years, various methods have been proposed from different perspectives to enhance LLMs, particularly in aligning them with human expectation. Despite these efforts, there has not been a comprehensive survey paper that categorizes and details these approaches. In this work, we aim to address this gap by categorizing these papers into distinct topics and providing detailed explanations of each alignment method, thereby helping readers gain a thorough understanding of the current state of the field.

We propose Self-Control, a novel method utilizing suffix gradients to control the behavior of large language models (LLMs) without explicit human annotations. Given a guideline expressed in suffix string and the model's self-assessment of adherence, Self-Control computes the gradient of this self-judgment concerning the model's hidden states, directly influencing the auto-regressive generation process towards desired behaviors. To enhance efficiency, we introduce Self-Control_{prefix}, a compact module that encapsulates the learned representations from suffix gradients into a Prefix Controller, facilitating inference-time control for various LLM behaviors. Our experiments demonstrate Self-Control's efficacy across multiple domains, including emotional modulation, ensuring harmlessness, and enhancing complex reasoning. Especially, Self-Control_{prefix} enables a plug-and-play control and jointly controls multiple attributes, improving model outputs without altering model parameters or increasing inference-time costs.

Statements involving metalinguistic self-reference ("This paper has six sections.") are prevalent in many domains. Can large language models (LLMs) handle such language? In this paper, we present "I am a Strange Dataset", a new dataset for addressing this question. There are two subtasks: generation and verification. In generation, models continue statements like "The penultimate word in this sentence is" (where a correct continuation is "is"). In verification, models judge the truth of statements like "The penultimate word in this sentence is sentence." (false). We also provide minimally different metalinguistic non-self-reference examples to complement the main dataset by probing for whether models can handle metalinguistic language at all. The dataset is hand-crafted by experts and validated by non-expert annotators. We test a variety of open-source LLMs (7B to 70B parameters) as well as closed-source LLMs through APIs. All models perform close to chance across both subtasks and even on the non-self-referential metalinguistic control data, though we find some steady improvement with model scale. GPT 4 is the only model to consistently do significantly better than chance, and it is still only in the 60% range, while our untrained human annotators score well in the 89-93% range. The dataset and evaluation toolkit are available at https://github.com/TristanThrush/i-am-a-strange-dataset.

In the past few years, the growth of e-commerce and digital marketing in Vietnam has generated a huge volume of opinionated data. Analyzing those data would provide enterprises with insight for better business decisions. In this work, as part of the Advosights project, we study sentiment analysis of product reviews in Vietnamese. The final solution is based on Self-attention neural networks, a flexible architecture for text classification task with about 90.16% of accuracy in 0.0124 second, a very fast inference time.

Neural algorithmic reasoning (NAR) is an emerging field that seeks to design neural networks that mimic classical algorithmic computations. Today, graph neural networks (GNNs) are widely used in neural algorithmic reasoners due to their message passing framework and permutation equivariance. In this extended abstract, we challenge this design choice, and replace the equivariant aggregation function with a recurrent neural network. While seemingly counter-intuitive, this approach has appropriate grounding when nodes have a natural ordering -- and this is the case frequently in established reasoning benchmarks like CLRS-30. Indeed, our recurrent NAR (RNAR) model performs very strongly on such tasks, while handling many others gracefully. A notable achievement of RNAR is its decisive state-of-the-art result on the Heapsort and Quickselect tasks, both deemed as a significant challenge for contemporary neural algorithmic reasoners -- especially the latter, where RNAR achieves a mean micro-F1 score of 87%.

Deep neural networks trained on Functional Connectivity (FC) networks extracted from functional Magnetic Resonance Imaging (fMRI) data have gained popularity due to the increasing availability of data and advances in model architectures, including Graph Neural Network (GNN). Recent research on the application of GNN to FC suggests that exploiting the time-varying properties of the FC could significantly improve the accuracy and interpretability of the model prediction. However, the high cost of acquiring high-quality fMRI data and corresponding phenotypic labels poses a hurdle to their application in real-world settings, such that a model na\"ively trained in a supervised fashion can suffer from insufficient performance or a lack of generalization on a small number of data. In addition, most Self-Supervised Learning (SSL) approaches for GNNs to date adopt a contrastive strategy, which tends to lose appropriate semantic information when the graph structure is perturbed or does not leverage both spatial and temporal information simultaneously. In light of these challenges, we propose a generative SSL approach that is tailored to effectively harness spatio-temporal information within dynamic FC. Our empirical results, experimented with large-scale (>50,000) fMRI datasets, demonstrate that our approach learns valuable representations and enables the construction of accurate and robust models when fine-tuned for downstream tasks.

Self-supervised learning (SSL) models use only the intrinsic structure of a given signal, independent of its acoustic domain, to extract essential information from the input to an embedding space. This implies that the utility of such representations is not limited to modeling human speech alone. Building on this understanding, this paper explores the cross-transferability of SSL neural representations learned from human speech to analyze bio-acoustic signals. We conduct a caller discrimination analysis and a caller detection study on Marmoset vocalizations using eleven SSL models pre-trained with various pretext tasks. The results show that the embedding spaces carry meaningful caller information and can successfully distinguish the individual identities of Marmoset callers without fine-tuning. This demonstrates that representations pre-trained on human speech can be effectively applied to the bio-acoustics domain, providing valuable insights for future investigations in this field.

While deep reinforcement learning excels at solving tasks where large amounts of data can be collected through virtually unlimited interaction with the environment, learning from limited interaction remains a key challenge. We posit that an agent can learn more efficiently if we augment reward maximization with self-supervised objectives based on structure in its visual input and sequential interaction with the environment. Our method, Self-Predictive Representations(SPR), trains an agent to predict its own latent state representations multiple steps into the future. We compute target representations for future states using an encoder which is an exponential moving average of the agent's parameters and we make predictions using a learned transition model. On its own, this future prediction objective outperforms prior methods for sample-efficient deep RL from pixels. We further improve performance by adding data augmentation to the future prediction loss, which forces the agent's representations to be consistent across multiple views of an observation. Our full self-supervised objective, which combines future prediction and data augmentation, achieves a median human-normalized score of 0.415 on Atari in a setting limited to 100k steps of environment interaction, which represents a 55% relative improvement over the previous state-of-the-art. Notably, even in this limited data regime, SPR exceeds expert human scores on 7 out of 26 games. The code associated with this work is available at https://github.com/mila-iqia/spr

Transformer models have achieved remarkable results in a wide range of applications. However, their scalability is hampered by the quadratic time and memory complexity of the self-attention mechanism concerning the sequence length. This limitation poses a substantial obstacle when dealing with long documents or high-resolution images. In this work, we study the self-attention mechanism by analyzing the distribution of the attention matrix and its concentration ability. Furthermore, we propose instruments to measure these quantities and introduce a novel self-attention mechanism, Linear Log-Normal Attention, designed to emulate the distribution and concentration behavior of the original self-attention. Our experimental results on popular natural language benchmarks reveal that our proposed Linear Log-Normal Attention outperforms other linearized attention alternatives, offering a promising avenue for enhancing the scalability of transformer models. Our code is available in supplementary materials.

Self-improvement is a mechanism in Large Language Model (LLM) pre-training, post-training and test-time inference. We explore a framework where the model verifies its own outputs, filters or reweights data based on this verification, and distills the filtered data. Despite several empirical successes, a fundamental understanding is still lacking. In this work, we initiate a comprehensive, modular and controlled study on LLM self-improvement. We provide a mathematical formulation for self-improvement, which is largely governed by a quantity which we formalize as the generation-verification gap. Through experiments with various model families and tasks, we discover a scaling phenomenon of self-improvement -- a variant of the generation-verification gap scales monotonically with the model pre-training flops. We also examine when self-improvement is possible, an iterative self-improvement procedure, and ways to improve its performance. Our findings not only advance understanding of LLM self-improvement with practical implications, but also open numerous avenues for future research into its capabilities and boundaries.

Relying entirely on an attention mechanism, the Transformer introduced by Vaswani et al. (2017) achieves state-of-the-art results for machine translation. In contrast to recurrent and convolutional neural networks, it does not explicitly model relative or absolute position information in its structure. Instead, it requires adding representations of absolute positions to its inputs. In this work we present an alternative approach, extending the self-attention mechanism to efficiently consider representations of the relative positions, or distances between sequence elements. On the WMT 2014 English-to-German and English-to-French translation tasks, this approach yields improvements of 1.3 BLEU and 0.3 BLEU over absolute position representations, respectively. Notably, we observe that combining relative and absolute position representations yields no further improvement in translation quality. We describe an efficient implementation of our method and cast it as an instance of relation-aware self-attention mechanisms that can generalize to arbitrary graph-labeled inputs.

Deep neural networks have demonstrated remarkable performance in supervised learning tasks but require large amounts of labeled data. Self-supervised learning offers an alternative paradigm, enabling the model to learn from data without explicit labels. Information theory has been instrumental in understanding and optimizing deep neural networks. Specifically, the information bottleneck principle has been applied to optimize the trade-off between compression and relevant information preservation in supervised settings. However, the optimal information objective in self-supervised learning remains unclear. In this paper, we review various approaches to self-supervised learning from an information-theoretic standpoint and present a unified framework that formalizes the self-supervised information-theoretic learning problem. We integrate existing research into a coherent framework, examine recent self-supervised methods, and identify research opportunities and challenges. Moreover, we discuss empirical measurement of information-theoretic quantities and their estimators. This paper offers a comprehensive review of the intersection between information theory, self-supervised learning, and deep neural networks.

Large language models (LLMs) have demonstrated impressive capabilities in various reasoning tasks, aided by techniques like chain-of-thought (CoT) prompting that elicits verbalized reasoning. However, LLMs often generate text with obvious mistakes and contradictions, raising doubts about their ability to robustly process and utilize generated rationales. In this work, we investigate CoT reasoning in LLMs through the lens of internal representations, focusing on how these representations are influenced by generated rationales. Our preliminary analysis reveals that while generated rationales improve answer accuracy, inconsistencies emerge between the model's internal representations in middle layers and those in final layers, potentially undermining the reliability of their reasoning processes. To address this, we propose internal consistency as a measure of the model's confidence by examining the agreement of latent predictions decoded from intermediate layers. Extensive empirical studies across different models and datasets demonstrate that internal consistency effectively distinguishes between correct and incorrect reasoning paths. Motivated by this, we propose a new approach to calibrate CoT reasoning by up-weighting reasoning paths with high internal consistency, resulting in a significant boost in reasoning performance. Further analysis uncovers distinct patterns in attention and feed-forward modules across layers, providing insights into the emergence of internal inconsistency. In summary, our results demonstrate the potential of using internal representations for self-evaluation of LLMs.

Despite the impressive capabilities of Large Language Models (LLMs) on various tasks, they still struggle with scenarios that involves complex reasoning and planning. Recent work proposed advanced prompting techniques and the necessity of fine-tuning with high-quality data to augment LLMs' reasoning abilities. However, these approaches are inherently constrained by data availability and quality. In light of this, self-correction and self-learning emerge as viable solutions, employing strategies that allow LLMs to refine their outputs and learn from self-assessed rewards. Yet, the efficacy of LLMs in self-refining its response, particularly in complex reasoning and planning task, remains dubious. In this paper, we introduce AlphaLLM for the self-improvements of LLMs, which integrates Monte Carlo Tree Search (MCTS) with LLMs to establish a self-improving loop, thereby enhancing the capabilities of LLMs without additional annotations. Drawing inspiration from the success of AlphaGo, AlphaLLM addresses the unique challenges of combining MCTS with LLM for self-improvement, including data scarcity, the vastness search spaces of language tasks, and the subjective nature of feedback in language tasks. AlphaLLM is comprised of prompt synthesis component, an efficient MCTS approach tailored for language tasks, and a trio of critic models for precise feedback. Our experimental results in mathematical reasoning tasks demonstrate that AlphaLLM significantly enhances the performance of LLMs without additional annotations, showing the potential for self-improvement in LLMs.

We endow Large Language Models (LLMs) with fine-grained self-evaluation to refine multi-step reasoning inference. We propose an effective prompting approach that integrates self-evaluation guidance through stochastic beam search. Our approach explores the reasoning search space using a well-calibrated automatic criterion. This enables an efficient search to produce higher-quality final predictions. With the self-evaluation guided stochastic beam search, we also balance the quality-diversity trade-off in the generation of reasoning chains. This allows our approach to adapt well with majority voting and surpass the corresponding Codex-backboned baselines by 6.34%, 9.56%, and 5.46% on the GSM8K, AQuA, and StrategyQA benchmarks, respectively, in few-shot accuracy. Analysis of our decompositional reasoning finds it pinpoints logic failures and leads to higher consistency and robustness. Our code is publicly available at https://github.com/YuxiXie/SelfEval-Guided-Decoding.

Recent work demonstrated Transformers' ability to efficiently copy strings of exponential sizes, distinguishing them from other architectures. We present the Causal Relation Network (CausalRN), an all-MLP sequence modeling architecture that can match Transformers on the copying task. Extending Relation Networks (RNs), we implemented key innovations to support autoregressive sequence modeling while maintaining computational feasibility. We discovered that exponentially-activated RNs are reducible to linear time complexity, and pre-activation normalization induces an infinitely growing memory pool, similar to a KV cache. In ablation study, we found both exponential activation and pre-activation normalization are indispensable for Transformer-level copying. Our findings provide new insights into what actually constitutes strong in-context retrieval.

Deep supervised learning has achieved great success in the last decade. However, its deficiencies of dependence on manual labels and vulnerability to attacks have driven people to explore a better solution. As an alternative, self-supervised learning attracts many researchers for its soaring performance on representation learning in the last several years. Self-supervised representation learning leverages input data itself as supervision and benefits almost all types of downstream tasks. In this survey, we take a look into new self-supervised learning methods for representation in computer vision, natural language processing, and graph learning. We comprehensively review the existing empirical methods and summarize them into three main categories according to their objectives: generative, contrastive, and generative-contrastive (adversarial). We further investigate related theoretical analysis work to provide deeper thoughts on how self-supervised learning works. Finally, we briefly discuss open problems and future directions for self-supervised learning. An outline slide for the survey is provided.

We show that a GPT-3 model can learn to express uncertainty about its own answers in natural language -- without use of model logits. When given a question, the model generates both an answer and a level of confidence (e.g. "90% confidence" or "high confidence"). These levels map to probabilities that are well calibrated. The model also remains moderately calibrated under distribution shift, and is sensitive to uncertainty in its own answers, rather than imitating human examples. To our knowledge, this is the first time a model has been shown to express calibrated uncertainty about its own answers in natural language. For testing calibration, we introduce the CalibratedMath suite of tasks. We compare the calibration of uncertainty expressed in words ("verbalized probability") to uncertainty extracted from model logits. Both kinds of uncertainty are capable of generalizing calibration under distribution shift. We also provide evidence that GPT-3's ability to generalize calibration depends on pre-trained latent representations that correlate with epistemic uncertainty over its answers.

Speculative decoding has demonstrated its effectiveness in accelerating the inference of large language models while maintaining a consistent sampling distribution. However, the conventional approach of training a separate draft model to achieve a satisfactory token acceptance rate can be costly. Drawing inspiration from early exiting, we propose a novel self-speculative decoding framework Kangaroo, which uses a fixed shallow sub-network as a self-draft model, with the remaining layers serving as the larger target model. We train a lightweight and efficient adapter module on top of the sub-network to bridge the gap between the sub-network and the full model's representation ability. It is noteworthy that the inference latency of the self-draft model may no longer be negligible compared to the large model, necessitating strategies to increase the token acceptance rate while minimizing the drafting steps of the small model. To address this challenge, we introduce an additional early exiting mechanism for generating draft tokens. Specifically, we halt the small model's subsequent prediction during the drafting phase once the confidence level for the current token falls below a certain threshold. Extensive experiments on the Spec-Bench demonstrate the effectiveness of Kangaroo. Under single-sequence verification, Kangaroo achieves speedups up to 1.68times on Spec-Bench, outperforming Medusa-1 with 88.7\% fewer additional parameters (67M compared to 591M). The code for Kangaroo is available at https://github.com/Equationliu/Kangaroo.

Pre-trained language models, despite their rapid advancements powered by scale, still fall short of robust commonsense capabilities. And yet, scale appears to be the winning recipe; after all, the largest models seem to have acquired the largest amount of commonsense capabilities. Or is it? In this paper, we investigate the possibility of a seemingly impossible match: can smaller language models with dismal commonsense capabilities (i.e., GPT-2), ever win over models that are orders of magnitude larger and better (i.e., GPT-3), if the smaller models are powered with novel commonsense distillation algorithms? The key intellectual question we ask here is whether it is possible, if at all, to design a learning algorithm that does not benefit from scale, yet leads to a competitive level of commonsense acquisition. In this work, we study the generative models of commonsense knowledge, focusing on the task of generating generics, statements of commonsense facts about everyday concepts, e.g., birds can fly. We introduce a novel commonsense distillation framework, I2D2, that loosely follows the Symbolic Knowledge Distillation of West et al. but breaks the dependence on the extreme-scale models as the teacher model by two innovations: (1) the novel adaptation of NeuroLogic Decoding to enhance the generation quality of the weak, off-the-shelf language models, and (2) self-imitation learning to iteratively learn from the model's own enhanced commonsense acquisition capabilities. Empirical results suggest that scale is not the only way, as novel algorithms can be a promising alternative. Moreover, our study leads to a new corpus of generics, Gen-A-Tomic, that is of the largest and highest quality available to date.

Neural networks often pack many unrelated concepts into a single neuron - a puzzling phenomenon known as 'polysemanticity' which makes interpretability much more challenging. This paper provides a toy model where polysemanticity can be fully understood, arising as a result of models storing additional sparse features in "superposition." We demonstrate the existence of a phase change, a surprising connection to the geometry of uniform polytopes, and evidence of a link to adversarial examples. We also discuss potential implications for mechanistic interpretability.

Numerous crucial tasks in real-world decision-making rely on machine learning algorithms with calibrated uncertainty estimates. However, modern methods often yield overconfident and uncalibrated predictions. Various approaches involve training an ensemble of separate models to quantify the uncertainty related to the model itself, known as epistemic uncertainty. In an explicit implementation, the ensemble approach has high computational cost and high memory requirements. This particular challenge is evident in state-of-the-art neural networks such as transformers, where even a single network is already demanding in terms of compute and memory. Consequently, efforts are made to emulate the ensemble model without actually instantiating separate ensemble members, referred to as implicit ensembling. We introduce LoRA-Ensemble, a parameter-efficient deep ensemble method for self-attention networks, which is based on Low-Rank Adaptation (LoRA). Initially developed for efficient LLM fine-tuning, we extend LoRA to an implicit ensembling approach. By employing a single pre-trained self-attention network with weights shared across all members, we train member-specific low-rank matrices for the attention projections. Our method exhibits superior calibration compared to explicit ensembles and achieves similar or better accuracy across various prediction tasks and datasets.

We formalize and study a phenomenon called feature collapse that makes precise the intuitive idea that entities playing a similar role in a learning task receive similar representations. As feature collapse requires a notion of task, we leverage a simple but prototypical NLP task to study it. We start by showing experimentally that feature collapse goes hand in hand with generalization. We then prove that, in the large sample limit, distinct words that play identical roles in this NLP task receive identical local feature representations in a neural network. This analysis reveals the crucial role that normalization mechanisms, such as LayerNorm, play in feature collapse and in generalization.

Artificial neural networks suffer from catastrophic forgetting when they are sequentially trained on multiple tasks. To overcome this problem, we present a novel approach based on task-conditioned hypernetworks, i.e., networks that generate the weights of a target model based on task identity. Continual learning (CL) is less difficult for this class of models thanks to a simple key feature: instead of recalling the input-output relations of all previously seen data, task-conditioned hypernetworks only require rehearsing task-specific weight realizations, which can be maintained in memory using a simple regularizer. Besides achieving state-of-the-art performance on standard CL benchmarks, additional experiments on long task sequences reveal that task-conditioned hypernetworks display a very large capacity to retain previous memories. Notably, such long memory lifetimes are achieved in a compressive regime, when the number of trainable hypernetwork weights is comparable or smaller than target network size. We provide insight into the structure of low-dimensional task embedding spaces (the input space of the hypernetwork) and show that task-conditioned hypernetworks demonstrate transfer learning. Finally, forward information transfer is further supported by empirical results on a challenging CL benchmark based on the CIFAR-10/100 image datasets.

Pretrained foundation models offer substantial benefits for a wide range of downstream tasks, which can be one of the most potential techniques to access artificial general intelligence. However, scaling up foundation transformers for maximal task-agnostic knowledge has brought about computational challenges, especially on resource-limited devices such as mobiles. This work proposes the first Binary Pretrained Foundation Transformer (BiPFT) for natural language understanding (NLU) tasks, which remarkably saves 56 times operations and 28 times memory. In contrast to previous task-specific binary transformers, BiPFT exhibits a substantial enhancement in the learning capabilities of binary neural networks (BNNs), promoting BNNs into the era of pre-training. Benefiting from extensive pretraining data, we further propose a data-driven binarization method. Specifically, we first analyze the binarization error in self-attention operations and derive the polynomials of binarization error. To simulate full-precision self-attention, we define binarization error as binarization residual polynomials, and then introduce low-rank estimators to model these polynomials. Extensive experiments validate the effectiveness of BiPFTs, surpassing task-specific baseline by 15.4% average performance on the GLUE benchmark. BiPFT also demonstrates improved robustness to hyperparameter changes, improved optimization efficiency, and reduced reliance on downstream distillation, which consequently generalize on various NLU tasks and simplify the downstream pipeline of BNNs. Our code and pretrained models are publicly available at https://github.com/Xingrun-Xing/BiPFT.

In this paper, we propose a novel neural network model called RNN Encoder-Decoder that consists of two recurrent neural networks (RNN). One RNN encodes a sequence of symbols into a fixed-length vector representation, and the other decodes the representation into another sequence of symbols. The encoder and decoder of the proposed model are jointly trained to maximize the conditional probability of a target sequence given a source sequence. The performance of a statistical machine translation system is empirically found to improve by using the conditional probabilities of phrase pairs computed by the RNN Encoder-Decoder as an additional feature in the existing log-linear model. Qualitatively, we show that the proposed model learns a semantically and syntactically meaningful representation of linguistic phrases.

Transformers achieve remarkable performance in several tasks but due to their quadratic complexity, with respect to the input's length, they are prohibitively slow for very long sequences. To address this limitation, we express the self-attention as a linear dot-product of kernel feature maps and make use of the associativity property of matrix products to reduce the complexity from Oleft(N^2right) to Oleft(Nright), where N is the sequence length. We show that this formulation permits an iterative implementation that dramatically accelerates autoregressive transformers and reveals their relationship to recurrent neural networks. Our linear transformers achieve similar performance to vanilla transformers and they are up to 4000x faster on autoregressive prediction of very long sequences.

We study the problem of learning representations of entities and relations in knowledge graphs for predicting missing links. The success of such a task heavily relies on the ability of modeling and inferring the patterns of (or between) the relations. In this paper, we present a new approach for knowledge graph embedding called RotatE, which is able to model and infer various relation patterns including: symmetry/antisymmetry, inversion, and composition. Specifically, the RotatE model defines each relation as a rotation from the source entity to the target entity in the complex vector space. In addition, we propose a novel self-adversarial negative sampling technique for efficiently and effectively training the RotatE model. Experimental results on multiple benchmark knowledge graphs show that the proposed RotatE model is not only scalable, but also able to infer and model various relation patterns and significantly outperform existing state-of-the-art models for link prediction.

We introduce Explanatory Learning (EL), a framework to let machines use existing knowledge buried in symbolic sequences -- e.g. explanations written in hieroglyphic -- by autonomously learning to interpret them. In EL, the burden of interpreting symbols is not left to humans or rigid human-coded compilers, as done in Program Synthesis. Rather, EL calls for a learned interpreter, built upon a limited collection of symbolic sequences paired with observations of several phenomena. This interpreter can be used to make predictions on a novel phenomenon given its explanation, and even to find that explanation using only a handful of observations, like human scientists do. We formulate the EL problem as a simple binary classification task, so that common end-to-end approaches aligned with the dominant empiricist view of machine learning could, in principle, solve it. To these models, we oppose Critical Rationalist Networks (CRNs), which instead embrace a rationalist view on the acquisition of knowledge. CRNs express several desired properties by construction, they are truly explainable, can adjust their processing at test-time for harder inferences, and can offer strong confidence guarantees on their predictions. As a final contribution, we introduce Odeen, a basic EL environment that simulates a small flatland-style universe full of phenomena to explain. Using Odeen as a testbed, we show how CRNs outperform empiricist end-to-end approaches of similar size and architecture (Transformers) in discovering explanations for novel phenomena.

Language models are often trained to maximize the likelihood of the next token given past tokens in the training dataset. However, during inference time, they are utilized differently, generating text sequentially and auto-regressively by using previously generated tokens as input to predict the next one. Marginal differences in predictions at each step can cascade over successive steps, resulting in different distributions from what the models were trained for and potentially leading to unpredictable behavior. This paper proposes two simple approaches based on model own generation to address this discrepancy between the training and inference time. Our first approach is Batch-Scheduled Sampling, where, during training, we stochastically choose between the ground-truth token from the dataset and the model's own generated token as input to predict the next token. This is done in an offline manner, modifying the context window by interleaving ground-truth tokens with those generated by the model. Our second approach is Reference-Answer-based Correction, where we explicitly incorporate a self-correction capability into the model during training. This enables the model to effectively self-correct the gaps between the generated sequences and the ground truth data without relying on an external oracle model. By incorporating our proposed strategies during training, we have observed an overall improvement in performance compared to baseline methods, as demonstrated by our extensive experiments using summarization, general question-answering, and math question-answering tasks.

We present Meena, a multi-turn open-domain chatbot trained end-to-end on data mined and filtered from public domain social media conversations. This 2.6B parameter neural network is simply trained to minimize perplexity of the next token. We also propose a human evaluation metric called Sensibleness and Specificity Average (SSA), which captures key elements of a human-like multi-turn conversation. Our experiments show strong correlation between perplexity and SSA. The fact that the best perplexity end-to-end trained Meena scores high on SSA (72% on multi-turn evaluation) suggests that a human-level SSA of 86% is potentially within reach if we can better optimize perplexity. Additionally, the full version of Meena (with a filtering mechanism and tuned decoding) scores 79% SSA, 23% higher in absolute SSA than the existing chatbots we evaluated.

Contextual memory integration remains a high challenge in the development of language models, particularly in tasks that require maintaining coherence over extended sequences. Traditional approaches, such as self-attention mechanisms and memory-augmented architectures, often prioritize short-term dependencies, leading to fragmentation and inconsistency in long-range contextual understanding. Inspired by principles of synaptic plasticity observed in biological neural systems, a novel mechanism, Synaptic Resonance, is introduced to dynamically reinforce relevant memory pathways during training and inference. Unlike static memory representations, this mechanism continuously adjusts synaptic weight matrices based on contextual relevance, allowing for improved information retention without excessive computational overhead. Evaluations conducted on an open-source language model demonstrate reductions in perplexity, enhancements in contextual coherence, and increased robustness against input noise, highlighting the effectiveness of reinforcement-driven memory modulation. Comparative analysis against baseline models further reveals that the proposed approach achieves higher memory retention efficiency while maintaining computational feasibility. The architectural modifications integrate seamlessly into existing transformer-based frameworks, ensuring stable convergence and efficient inference without sacrificing scalability. Applications benefiting from improved long-term contextual consistency, such as dialogue systems and document summarization, stand to gain from this approach. Empirical findings suggest that dynamically reinforced memory pathways offer a promising alternative to conventional memory mechanisms, addressing longstanding limitations in extended sequence modeling.

This paper presents a novel technique for accelerating inference in large, pre-trained language models (LLMs) by introducing early exits during inference. The computational demands of these models, used across a wide range of applications, can be substantial. By capitalizing on the inherent variability in token complexity, our approach enables selective acceleration of the inference process. Specifically, we propose the integration of early exit ''heads'' atop existing transformer layers, which facilitate conditional terminations based on a confidence metric. These heads are trained in a self-supervised manner using the model's own predictions as training data, thereby eliminating the need for additional annotated data. The confidence metric, established using a calibration set, ensures a desired level of accuracy while enabling early termination when confidence exceeds a predetermined threshold. Notably, our method preserves the original accuracy and reduces computational time on certain tasks, leveraging the existing knowledge of pre-trained LLMs without requiring extensive retraining. This lightweight, modular modification has the potential to greatly enhance the practical usability of LLMs, particularly in applications like real-time language processing in resource-constrained environments.

Large pre-trained neural networks such as BERT have had great recent success in NLP, motivating a growing body of research investigating what aspects of language they are able to learn from unlabeled data. Most recent analysis has focused on model outputs (e.g., language model surprisal) or internal vector representations (e.g., probing classifiers). Complementary to these works, we propose methods for analyzing the attention mechanisms of pre-trained models and apply them to BERT. BERT's attention heads exhibit patterns such as attending to delimiter tokens, specific positional offsets, or broadly attending over the whole sentence, with heads in the same layer often exhibiting similar behaviors. We further show that certain attention heads correspond well to linguistic notions of syntax and coreference. For example, we find heads that attend to the direct objects of verbs, determiners of nouns, objects of prepositions, and coreferent mentions with remarkably high accuracy. Lastly, we propose an attention-based probing classifier and use it to further demonstrate that substantial syntactic information is captured in BERT's attention.

Robust, faithful and harm-free pronoun use for individuals is an important goal for language models as their use increases, but prior work tends to study only one or two of these characteristics at a time. To measure progress towards the combined goal, we introduce the task of pronoun fidelity: given a context introducing a co-referring entity and pronoun, the task is to reuse the correct pronoun later. We present RUFF, a carefully-designed dataset of over 5 million instances to measure robust pronoun fidelity in English, and we evaluate 37 popular large language models across architectures (encoder-only, decoder-only and encoder-decoder) and scales (11M-70B parameters). When an individual is introduced with a pronoun, models can mostly faithfully reuse this pronoun in the next sentence, but they are significantly worse with she/her/her, singular they and neopronouns. Moreover, models are easily distracted by non-adversarial sentences discussing other people; even one additional sentence with a distractor pronoun causes accuracy to drop on average by 34%. Our results show that pronoun fidelity is neither robust, nor due to reasoning, in a simple, naturalistic setting where humans achieve nearly 100% accuracy. We encourage researchers to bridge the gaps we find and to carefully evaluate reasoning in settings where superficial repetition might inflate perceptions of model performance.

We reformulate the problem of encoding a multi-scale representation of a sequence in a language model by casting it in a continuous learning framework. We propose a hierarchical multi-scale language model in which short time-scale dependencies are encoded in the hidden state of a lower-level recurrent neural network while longer time-scale dependencies are encoded in the dynamic of the lower-level network by having a meta-learner update the weights of the lower-level neural network in an online meta-learning fashion. We use elastic weights consolidation as a higher-level to prevent catastrophic forgetting in our continuous learning framework.

Symmetry-based neural networks often constrain the architecture in order to achieve invariance or equivariance to a group of transformations. In this paper, we propose an alternative that avoids this architectural constraint by learning to produce a canonical representation of the data. These canonicalization functions can readily be plugged into non-equivariant backbone architectures. We offer explicit ways to implement them for many groups of interest. We show that this approach enjoys universality while providing interpretable insights. Our main hypothesis is that learning a neural network to perform canonicalization is better than using predefined heuristics. Our results show that learning the canonicalization function indeed leads to better results and that the approach achieves excellent performance in practice.

We study the problem of attributing the prediction of a deep network to its input features, a problem previously studied by several other works. We identify two fundamental axioms---Sensitivity and Implementation Invariance that attribution methods ought to satisfy. We show that they are not satisfied by most known attribution methods, which we consider to be a fundamental weakness of those methods. We use the axioms to guide the design of a new attribution method called Integrated Gradients. Our method requires no modification to the original network and is extremely simple to implement; it just needs a few calls to the standard gradient operator. We apply this method to a couple of image models, a couple of text models and a chemistry model, demonstrating its ability to debug networks, to extract rules from a network, and to enable users to engage with models better.

Transformers have become an indispensable module for text generation models since their great success in machine translation. Previous works attribute the~success of transformers to the query-key-value dot-product attention, which provides a robust inductive bias by the fully connected token graphs. However, we found that self-attention has a severe limitation. When predicting the (i+1)-th token, self-attention only takes the i-th token as an information collector, and it tends to give a high attention weight to those tokens similar to itself. Therefore, most of the historical information that occurred before the i-th token is not taken into consideration. Based on this observation, in this paper, we propose a new architecture, called bird-eye transformer(BET), which goes one step further to improve the performance of transformers by reweighting self-attention to encourage it to focus more on important historical information. We have conducted experiments on multiple text generation tasks, including machine translation (2 datasets) and language models (3 datasets). These experimental~results show that our proposed model achieves a better performance than the baseline transformer architectures on~all~datasets. The code is released at: https://sites.google.com/view/bet-transformer/home.

A rapidly growing number of applications rely on a small set of closed-source language models (LMs). This dependency might introduce novel security risks if LMs develop self-recognition capabilities. Inspired by human identity verification methods, we propose a novel approach for assessing self-recognition in LMs using model-generated "security questions". Our test can be externally administered to keep track of frontier models as it does not require access to internal model parameters or output probabilities. We use our test to examine self-recognition in ten of the most capable open- and closed-source LMs currently publicly available. Our extensive experiments found no empirical evidence of general or consistent self-recognition in any examined LM. Instead, our results suggest that given a set of alternatives, LMs seek to pick the "best" answer, regardless of its origin. Moreover, we find indications that preferences about which models produce the best answers are consistent across LMs. We additionally uncover novel insights on position bias considerations for LMs in multiple-choice settings.

This paper investigates whether large language models (LLMs) utilize numerical attributes encoded in a low-dimensional subspace of the embedding space when answering logical comparison questions (e.g., Was Cristiano born before Messi?). We first identified these subspaces using partial least squares regression, which effectively encodes the numerical attributes associated with the entities in comparison prompts. Further, we demonstrate causality by intervening in these subspaces to manipulate hidden states, thereby altering the LLM's comparison outcomes. Experimental results show that our findings hold for different numerical attributes, indicating that LLMs utilize the linearly encoded information for numerical reasoning.

Large language models (LLMs) have shown remarkable capability in numerous tasks and applications. However, fine-tuning LLMs using high-quality datasets under external supervision remains prohibitively expensive. In response, LLM self-improvement approaches have been vibrantly developed recently. The typical paradigm of LLM self-improvement involves training LLM on self-generated data, part of which may be detrimental and should be filtered out due to the unstable data quality. While current works primarily employs filtering strategies based on answer correctness, in this paper, we demonstrate that filtering out correct but with high distribution shift extent (DSE) samples could also benefit the results of self-improvement. Given that the actual sample distribution is usually inaccessible, we propose a new metric called DS weight to approximate DSE, inspired by the Importance Weighting methods. Consequently, we integrate DS weight with self-consistency to comprehensively filter the self-generated samples and fine-tune the language model. Experiments show that with only a tiny valid set (up to 5\% size of the training set) to compute DS weight, our approach can notably promote the reasoning ability of current LLM self-improvement methods. The resulting performance is on par with methods that rely on external supervision from pre-trained reward models.

Self-supervised speech representations have been shown to be effective in a variety of speech applications. However, existing representation learning methods generally rely on the autoregressive model and/or observed global dependencies while generating the representation. In this work, we propose Non-Autoregressive Predictive Coding (NPC), a self-supervised method, to learn a speech representation in a non-autoregressive manner by relying only on local dependencies of speech. NPC has a conceptually simple objective and can be implemented easily with the introduced Masked Convolution Blocks. NPC offers a significant speedup for inference since it is parallelizable in time and has a fixed inference time for each time step regardless of the input sequence length. We discuss and verify the effectiveness of NPC by theoretically and empirically comparing it with other methods. We show that the NPC representation is comparable to other methods in speech experiments on phonetic and speaker classification while being more efficient.

At initialization, artificial neural networks (ANNs) are equivalent to Gaussian processes in the infinite-width limit, thus connecting them to kernel methods. We prove that the evolution of an ANN during training can also be described by a kernel: during gradient descent on the parameters of an ANN, the network function f_theta (which maps input vectors to output vectors) follows the kernel gradient of the functional cost (which is convex, in contrast to the parameter cost) w.r.t. a new kernel: the Neural Tangent Kernel (NTK). This kernel is central to describe the generalization features of ANNs. While the NTK is random at initialization and varies during training, in the infinite-width limit it converges to an explicit limiting kernel and it stays constant during training. This makes it possible to study the training of ANNs in function space instead of parameter space. Convergence of the training can then be related to the positive-definiteness of the limiting NTK. We prove the positive-definiteness of the limiting NTK when the data is supported on the sphere and the non-linearity is non-polynomial. We then focus on the setting of least-squares regression and show that in the infinite-width limit, the network function f_theta follows a linear differential equation during training. The convergence is fastest along the largest kernel principal components of the input data with respect to the NTK, hence suggesting a theoretical motivation for early stopping. Finally we study the NTK numerically, observe its behavior for wide networks, and compare it to the infinite-width limit.

The advancement of large language models (LLMs) for real-world applications hinges critically on enhancing their reasoning capabilities. In this work, we explore the reasoning abilities of large language models (LLMs) through their geometrical understanding. We establish a connection between the expressive power of LLMs and the density of their self-attention graphs. Our analysis demonstrates that the density of these graphs defines the intrinsic dimension of the inputs to the MLP blocks. We demonstrate through theoretical analysis and toy examples that a higher intrinsic dimension implies a greater expressive capacity of the LLM. We further provide empirical evidence linking this geometric framework to recent advancements in methods aimed at enhancing the reasoning capabilities of LLMs.

Syntactic structures used to play a vital role in natural language processing (NLP), but since the deep learning revolution, NLP has been gradually dominated by neural models that do not consider syntactic structures in their design. One vastly successful class of neural models is transformers. When used as an encoder, a transformer produces contextual representation of words in the input sentence. In this work, we propose a new model of contextual word representation, not from a neural perspective, but from a purely syntactic and probabilistic perspective. Specifically, we design a conditional random field that models discrete latent representations of all words in a sentence as well as dependency arcs between them; and we use mean field variational inference for approximate inference. Strikingly, we find that the computation graph of our model resembles transformers, with correspondences between dependencies and self-attention and between distributions over latent representations and contextual embeddings of words. Experiments show that our model performs competitively to transformers on small to medium sized datasets. We hope that our work could help bridge the gap between traditional syntactic and probabilistic approaches and cutting-edge neural approaches to NLP, and inspire more linguistically-principled neural approaches in the future.

Recent advances have spurred incredible progress in self-supervised pretraining for vision. We investigate what factors may play a role in the utility of these pretraining methods for practitioners. To do this, we evaluate various self-supervised algorithms across a comprehensive array of synthetic datasets and downstream tasks. We prepare a suite of synthetic data that enables an endless supply of annotated images as well as full control over dataset difficulty. Our experiments offer insights into how the utility of self-supervision changes as the number of available labels grows as well as how the utility changes as a function of the downstream task and the properties of the training data. We also find that linear evaluation does not correlate with finetuning performance. Code and data is available at https://www.github.com/princeton-vl/selfstudy{github.com/princeton-vl/selfstudy}.

Humans learn continually throughout their lifespan by accumulating diverse knowledge and fine-tuning it for future tasks. When presented with a similar goal, neural networks suffer from catastrophic forgetting if data distributions across sequential tasks are not stationary over the course of learning. An effective approach to address such continual learning (CL) problems is to use hypernetworks which generate task dependent weights for a target network. However, the continual learning performance of existing hypernetwork based approaches are affected by the assumption of independence of the weights across the layers in order to maintain parameter efficiency. To address this limitation, we propose a novel approach that uses a dependency preserving hypernetwork to generate weights for the target network while also maintaining the parameter efficiency. We propose to use recurrent neural network (RNN) based hypernetwork that can generate layer weights efficiently while allowing for dependencies across them. In addition, we propose novel regularisation and network growth techniques for the RNN based hypernetwork to further improve the continual learning performance. To demonstrate the effectiveness of the proposed methods, we conducted experiments on several image classification continual learning tasks and settings. We found that the proposed methods based on the RNN hypernetworks outperformed the baselines in all these CL settings and tasks.

We propose a simple technique for encouraging generative RNNs to plan ahead. We train a "backward" recurrent network to generate a given sequence in reverse order, and we encourage states of the forward model to predict cotemporal states of the backward model. The backward network is used only during training, and plays no role during sampling or inference. We hypothesize that our approach eases modeling of long-term dependencies by implicitly forcing the forward states to hold information about the longer-term future (as contained in the backward states). We show empirically that our approach achieves 9% relative improvement for a speech recognition task, and achieves significant improvement on a COCO caption generation task.

Self-augmentation has received increasing research interest recently to improve named entity recognition (NER) performance in low-resource scenarios. Token substitution and mixup are two feasible heterogeneous self-augmentation techniques for NER that can achieve effective performance with certain specialized efforts. Noticeably, self-augmentation may introduce potentially noisy augmented data. Prior research has mainly resorted to heuristic rule-based constraints to reduce the noise for specific self-augmentation methods individually. In this paper, we revisit these two typical self-augmentation methods for NER, and propose a unified meta-reweighting strategy for them to achieve a natural integration. Our method is easily extensible, imposing little effort on a specific self-augmentation method. Experiments on different Chinese and English NER benchmarks show that our token substitution and mixup method, as well as their integration, can achieve effective performance improvement. Based on the meta-reweighting mechanism, we can enhance the advantages of the self-augmentation techniques without much extra effort.

Self-consistency (SC), a widely used decoding strategy for chain-of-thought reasoning, shows significant gains across various multi-step reasoning tasks but comes with a high cost due to multiple sampling with the preset size. Its variants, Adaptive self-consistency (ASC) and Early-stopping self-consistency (ESC), dynamically adjust the number of samples based on the posterior distribution of a set of pre-samples, reducing the cost of SC with minimal impact on performance. Both methods, however, do not exploit the prior information about question difficulty. It often results in unnecessary repeated sampling for easy questions that could be accurately answered with just one attempt, wasting resources. To tackle this problem, we propose Difficulty-Adaptive Self-Consistency (DSC), which leverages the difficulty information from both prior and posterior perspectives to adaptively allocate inference resources, further reducing the cost of SC. To demonstrate the effectiveness of DSC, we conduct extensive experiments on three popular categories of reasoning tasks: arithmetic, commonsense and symbolic reasoning on six benchmarks. The empirical results show that DSC consistently surpasses the strong baseline ASC and ESC in terms of costs by a significant margin, while attaining comparable performances.

Graph Neural Networks (GNNs) have emerged as powerful tools to encode graph-structured data. Due to their broad applications, there is an increasing need to develop tools to explain how GNNs make decisions given graph-structured data. Existing learning-based GNN explanation approaches are task-specific in training and hence suffer from crucial drawbacks. Specifically, they are incapable of producing explanations for a multitask prediction model with a single explainer. They are also unable to provide explanations in cases where the GNN is trained in a self-supervised manner, and the resulting representations are used in future downstream tasks. To address these limitations, we propose a Task-Agnostic GNN Explainer (TAGE) that is independent of downstream models and trained under self-supervision with no knowledge of downstream tasks. TAGE enables the explanation of GNN embedding models with unseen downstream tasks and allows efficient explanation of multitask models. Our extensive experiments show that TAGE can significantly speed up the explanation efficiency by using the same model to explain predictions for multiple downstream tasks while achieving explanation quality as good as or even better than current state-of-the-art GNN explanation approaches. Our code is pubicly available as part of the DIG library at https://github.com/divelab/DIG/tree/main/dig/xgraph/TAGE/.

Memory-based neural networks model temporal data by leveraging an ability to remember information for long periods. It is unclear, however, whether they also have an ability to perform complex relational reasoning with the information they remember. Here, we first confirm our intuitions that standard memory architectures may struggle at tasks that heavily involve an understanding of the ways in which entities are connected -- i.e., tasks involving relational reasoning. We then improve upon these deficits by using a new memory module -- a Relational Memory Core (RMC) -- which employs multi-head dot product attention to allow memories to interact. Finally, we test the RMC on a suite of tasks that may profit from more capable relational reasoning across sequential information, and show large gains in RL domains (e.g. Mini PacMan), program evaluation, and language modeling, achieving state-of-the-art results on the WikiText-103, Project Gutenberg, and GigaWord datasets.

In large language models (LLMs), certain neurons can store distinct pieces of knowledge learned during pretraining. While knowledge typically appears as a combination of relations and entities, it remains unclear whether some neurons focus on a relation itself -- independent of any entity. We hypothesize such neurons detect a relation in the input text and guide generation involving such a relation. To investigate this, we study the Llama-2 family on a chosen set of relations with a statistics-based method. Our experiments demonstrate the existence of relation-specific neurons. We measure the effect of selectively deactivating candidate neurons specific to relation r on the LLM's ability to handle (1) facts whose relation is r and (2) facts whose relation is a different relation r' neq r. With respect to their capacity for encoding relation information, we give evidence for the following three properties of relation-specific neurons. (i) Neuron cumulativity. The neurons for r present a cumulative effect so that deactivating a larger portion of them results in the degradation of more facts in r. (ii) Neuron versatility. Neurons can be shared across multiple closely related as well as less related relations. Some relation neurons transfer across languages. (iii) Neuron interference. Deactivating neurons specific to one relation can improve LLM generation performance for facts of other relations. We will make our code publicly available at https://github.com/cisnlp/relation-specific-neurons.

Recurrent Neural Networks (RNNs), and specifically a variant with Long Short-Term Memory (LSTM), are enjoying renewed interest as a result of successful applications in a wide range of machine learning problems that involve sequential data. However, while LSTMs provide exceptional results in practice, the source of their performance and their limitations remain rather poorly understood. Using character-level language models as an interpretable testbed, we aim to bridge this gap by providing an analysis of their representations, predictions and error types. In particular, our experiments reveal the existence of interpretable cells that keep track of long-range dependencies such as line lengths, quotes and brackets. Moreover, our comparative analysis with finite horizon n-gram models traces the source of the LSTM improvements to long-range structural dependencies. Finally, we provide analysis of the remaining errors and suggests areas for further study.

Self-supervised learning, which learns by constructing artificial labels given only the input signals, has recently gained considerable attention for learning representations with unlabeled datasets, i.e., learning without any human-annotated supervision. In this paper, we show that such a technique can be used to significantly improve the model accuracy even under fully-labeled datasets. Our scheme trains the model to learn both original and self-supervised tasks, but is different from conventional multi-task learning frameworks that optimize the summation of their corresponding losses. Our main idea is to learn a single unified task with respect to the joint distribution of the original and self-supervised labels, i.e., we augment original labels via self-supervision of input transformation. This simple, yet effective approach allows to train models easier by relaxing a certain invariant constraint during learning the original and self-supervised tasks simultaneously. It also enables an aggregated inference which combines the predictions from different augmentations to improve the prediction accuracy. Furthermore, we propose a novel knowledge transfer technique, which we refer to as self-distillation, that has the effect of the aggregated inference in a single (faster) inference. We demonstrate the large accuracy improvement and wide applicability of our framework on various fully-supervised settings, e.g., the few-shot and imbalanced classification scenarios.

Many recent works have discussed the propensity, or lack thereof, for emergent languages to exhibit properties of natural languages. A favorite in the literature is learning compositionality. We note that most of those works have focused on communicative bandwidth as being of primary importance. While important, it is not the only contributing factor. In this paper, we investigate the learning biases that affect the efficacy and compositionality of emergent languages. Our foremost contribution is to explore how capacity of a neural network impacts its ability to learn a compositional language. We additionally introduce a set of evaluation metrics with which we analyze the learned languages. Our hypothesis is that there should be a specific range of model capacity and channel bandwidth that induces compositional structure in the resulting language and consequently encourages systematic generalization. While we empirically see evidence for the bottom of this range, we curiously do not find evidence for the top part of the range and believe that this is an open question for the community.