Daily Papers

Offline reinforcement learning (RL) is a compelling framework for learning optimal policies from past experiences without additional interaction with the environment. Nevertheless, offline RL inevitably faces the problem of distributional shifts, where the states and actions encountered during policy execution may not be in the training dataset distribution. A common solution involves incorporating conservatism into the policy or the value function to safeguard against uncertainties and unknowns. In this work, we focus on achieving the same objectives of conservatism but from a different perspective. We propose COmpositional COnservatism with Anchor-seeking (COCOA) for offline RL, an approach that pursues conservatism in a compositional manner on top of the transductive reparameterization (Netanyahu et al., 2023), which decomposes the input variable (the state in our case) into an anchor and its difference from the original input. Our COCOA seeks both in-distribution anchors and differences by utilizing the learned reverse dynamics model, encouraging conservatism in the compositional input space for the policy or value function. Such compositional conservatism is independent of and agnostic to the prevalent behavioral conservatism in offline RL. We apply COCOA to four state-of-the-art offline RL algorithms and evaluate them on the D4RL benchmark, where COCOA generally improves the performance of each algorithm. The code is available at https://github.com/runamu/compositional-conservatism.

We present weight normalization: a reparameterization of the weight vectors in a neural network that decouples the length of those weight vectors from their direction. By reparameterizing the weights in this way we improve the conditioning of the optimization problem and we speed up convergence of stochastic gradient descent. Our reparameterization is inspired by batch normalization but does not introduce any dependencies between the examples in a minibatch. This means that our method can also be applied successfully to recurrent models such as LSTMs and to noise-sensitive applications such as deep reinforcement learning or generative models, for which batch normalization is less well suited. Although our method is much simpler, it still provides much of the speed-up of full batch normalization. In addition, the computational overhead of our method is lower, permitting more optimization steps to be taken in the same amount of time. We demonstrate the usefulness of our method on applications in supervised image recognition, generative modelling, and deep reinforcement learning.

We introduce Reprompting, an iterative sampling algorithm that searches for the Chain-of-Thought (CoT) recipes for a given task without human intervention. Through Gibbs sampling, we infer CoT recipes that work consistently well for a set of training samples. Our method iteratively samples new recipes using previously sampled solutions as parent prompts to solve other training problems. On five Big-Bench Hard tasks that require multi-step reasoning, Reprompting achieves consistently better performance than the zero-shot, few-shot, and human-written CoT baselines. Reprompting can also facilitate transfer of knowledge from a stronger model to a weaker model leading to substantially improved performance of the weaker model. Overall, Reprompting brings up to +17 point improvements over the previous state-of-the-art method that uses human-written CoT prompts.

Large language models (LLMs) have shown impressive performance on language tasks but face challenges when deployed on resource-constrained devices due to their extensive parameters and reliance on dense multiplications, resulting in high memory demands and latency bottlenecks. Shift-and-add reparameterization offers a promising solution by replacing costly multiplications with hardware-friendly primitives in both the attention and multi-layer perceptron (MLP) layers of an LLM. However, current reparameterization techniques require training from scratch or full parameter fine-tuning to restore accuracy, which is resource-intensive for LLMs. To address this, we propose accelerating pretrained LLMs through post-training shift-and-add reparameterization, creating efficient multiplication-free models, dubbed ShiftAddLLM. Specifically, we quantize each weight matrix into binary matrices paired with group-wise scaling factors. The associated multiplications are reparameterized into (1) shifts between activations and scaling factors and (2) queries and adds according to the binary matrices. To reduce accuracy loss, we present a multi-objective optimization method to minimize both weight and output activation reparameterization errors. Additionally, based on varying sensitivity across layers to reparameterization, we develop an automated bit allocation strategy to further reduce memory usage and latency. Experiments on five LLM families and eight tasks consistently validate the effectiveness of ShiftAddLLM, achieving average perplexity improvements of 5.6 and 22.7 points at comparable or lower latency compared to the most competitive quantized LLMs at 3 and 2 bits, respectively, and more than 80% memory and energy reductions over the original LLMs. Codes and models are available at https://github.com/GATECH-EIC/ShiftAddLLM.

Code pre-trained models (CodePTMs) have recently demonstrated a solid capacity to process various software intelligence tasks, e.g., code clone detection, code translation, and code summarization. The current mainstream method that deploys these models to downstream tasks is to fine-tune them on individual tasks, which is generally costly and needs sufficient data for large models. To tackle the issue, in this paper, we present TransCoder, a unified Transferable fine-tuning strategy for Code representation learning. Inspired by human inherent skills of knowledge generalization, TransCoder drives the model to learn better code-related meta-knowledge like human programmers. Specifically, we employ a tunable prefix encoder as the meta-learner to capture cross-task and cross-language transferable knowledge, respectively. Besides, tasks with minor training sample sizes and languages with small corpus can be remarkably benefited from our approach. Extensive experiments conducted on benchmark datasets clearly demonstrate that our method can lead to superior performance on various code-related tasks and encourage mutual reinforcement. We also show that TransCoder is applicable in low-resource scenarios.

In this paper, we investigate the long-term memory learning capabilities of state-space models (SSMs) from the perspective of parameterization. We prove that state-space models without any reparameterization exhibit a memory limitation similar to that of traditional RNNs: the target relationships that can be stably approximated by state-space models must have an exponential decaying memory. Our analysis identifies this "curse of memory" as a result of the recurrent weights converging to a stability boundary, suggesting that a reparameterization technique can be effective. To this end, we introduce a class of reparameterization techniques for SSMs that effectively lift its memory limitations. Besides improving approximation capabilities, we further illustrate that a principled choice of reparameterization scheme can also enhance optimization stability. We validate our findings using synthetic datasets and language models.

Transductive Few-Shot Learning (TFSL) has recently attracted increasing attention since it typically outperforms its inductive peer by leveraging statistics of query samples. However, previous TFSL methods usually encode uniform prior that all the classes within query samples are equally likely, which is biased in imbalanced TFSL and causes severe performance degradation. Given this pivotal issue, in this work, we propose a novel Conditional Transport (CT) based imbalanced TFSL model called {\textbf P}rototypes-oriented {\textbf U}nbiased {\textbf T}ransfer {\textbf M}odel (PUTM) to fully exploit unbiased statistics of imbalanced query samples, which employs forward and backward navigators as transport matrices to balance the prior of query samples per class between uniform and adaptive data-driven distributions. For efficiently transferring statistics learned by CT, we further derive a closed form solution to refine prototypes based on MAP given the learned navigators. The above two steps of discovering and transferring unbiased statistics follow an iterative manner, formulating our EM-based solver. Experimental results on four standard benchmarks including miniImageNet, tieredImageNet, CUB, and CIFAR-FS demonstrate superiority of our model in class-imbalanced generalization.

Variational inference using the reparameterization trick has enabled large-scale approximate Bayesian inference in complex probabilistic models, leveraging stochastic optimization to sidestep intractable expectations. The reparameterization trick is applicable when we can simulate a random variable by applying a differentiable deterministic function on an auxiliary random variable whose distribution is fixed. For many distributions of interest (such as the gamma or Dirichlet), simulation of random variables relies on acceptance-rejection sampling. The discontinuity introduced by the accept-reject step means that standard reparameterization tricks are not applicable. We propose a new method that lets us leverage reparameterization gradients even when variables are outputs of a acceptance-rejection sampling algorithm. Our approach enables reparameterization on a larger class of variational distributions. In several studies of real and synthetic data, we show that the variance of the estimator of the gradient is significantly lower than other state-of-the-art methods. This leads to faster convergence of stochastic gradient variational inference.

It is well-known that zero-shot learning (ZSL) can suffer severely from the problem of domain shift, where the true and learned data distributions for the unseen classes do not match. Although transductive ZSL (TZSL) attempts to improve this by allowing the use of unlabelled examples from the unseen classes, there is still a high level of distribution shift. We propose a novel TZSL model (named as Bi-VAEGAN), which largely improves the shift by a strengthened distribution alignment between the visual and auxiliary spaces. The key proposal of the model design includes (1) a bi-directional distribution alignment, (2) a simple but effective L_2-norm based feature normalization approach, and (3) a more sophisticated unseen class prior estimation approach. In benchmark evaluation using four datasets, Bi-VAEGAN achieves the new state of the arts under both the standard and generalized TZSL settings. Code could be found at https://github.com/Zhicaiwww/Bi-VAEGAN

Symbolic regression (SR) is a challenging task in machine learning that involves finding a mathematical expression for a function based on its values. Recent advancements in SR have demonstrated the effectiveness of pretrained transformer-based models in generating equations as sequences, leveraging large-scale pretraining on synthetic datasets and offering notable advantages in terms of inference time over GP-based methods. However, these models primarily rely on supervised pretraining goals borrowed from text generation and overlook equation-specific objectives like accuracy and complexity. To address this, we propose TPSR, a Transformer-based Planning strategy for Symbolic Regression that incorporates Monte Carlo Tree Search into the transformer decoding process. Unlike conventional decoding strategies, TPSR enables the integration of non-differentiable feedback, such as fitting accuracy and complexity, as external sources of knowledge into the transformer-based equation generation process. Extensive experiments on various datasets show that our approach outperforms state-of-the-art methods, enhancing the model's fitting-complexity trade-off, extrapolation abilities, and robustness to noise

A transcompiler, also known as source-to-source translator, is a system that converts source code from a high-level programming language (such as C++ or Python) to another. Transcompilers are primarily used for interoperability, and to port codebases written in an obsolete or deprecated language (e.g. COBOL, Python 2) to a modern one. They typically rely on handcrafted rewrite rules, applied to the source code abstract syntax tree. Unfortunately, the resulting translations often lack readability, fail to respect the target language conventions, and require manual modifications in order to work properly. The overall translation process is timeconsuming and requires expertise in both the source and target languages, making code-translation projects expensive. Although neural models significantly outperform their rule-based counterparts in the context of natural language translation, their applications to transcompilation have been limited due to the scarcity of parallel data in this domain. In this paper, we propose to leverage recent approaches in unsupervised machine translation to train a fully unsupervised neural transcompiler. We train our model on source code from open source GitHub projects, and show that it can translate functions between C++, Java, and Python with high accuracy. Our method relies exclusively on monolingual source code, requires no expertise in the source or target languages, and can easily be generalized to other programming languages. We also build and release a test set composed of 852 parallel functions, along with unit tests to check the correctness of translations. We show that our model outperforms rule-based commercial baselines by a significant margin.

Large transformer models have demonstrated remarkable success. Post-training quantization (PTQ), which requires only a small dataset for calibration and avoids end-to-end retraining, is a promising solution for compressing these large models. Regrettably, existing PTQ methods typically exhibit non-trivial performance loss. We find that the performance bottleneck stems from over-consideration of hardware compatibility in the quantization process, compelling them to reluctantly employ simple quantizers, albeit at the expense of accuracy. With the above insights, we propose RepQuant, a novel PTQ framework with quantization-inference decoupling paradigm to address the above issues. RepQuant employs complex quantizers in the quantization process and simplified quantizers in the inference process, and performs mathematically equivalent transformations between the two through quantization scale reparameterization, thus ensuring both accurate quantization and efficient inference. More specifically, we focus on two components with extreme distributions: LayerNorm activations and Softmax activations. Initially, we apply channel-wise quantization and log2 quantization, respectively, which are tailored to their distributions. In particular, for the former, we introduce a learnable per-channel dual clipping scheme, which is designed to efficiently identify outliers in the unbalanced activations with fine granularity. Then, we reparameterize the scales to hardware-friendly layer-wise quantization and log2 quantization for inference. Moreover, quantized weight reconstruction is seamlessly integrated into the above procedure to further push the performance limits. Extensive experiments are performed on different large-scale transformer variants on multiple tasks, including vision, language, and multi-modal transformers, and RepQuant encouragingly demonstrates significant performance advantages.

We present Recurrent Fitting (ReFit), a neural network architecture for single-image, parametric 3D human reconstruction. ReFit learns a feedback-update loop that mirrors the strategy of solving an inverse problem through optimization. At each iterative step, it reprojects keypoints from the human model to feature maps to query feedback, and uses a recurrent-based updater to adjust the model to fit the image better. Because ReFit encodes strong knowledge of the inverse problem, it is faster to train than previous regression models. At the same time, ReFit improves state-of-the-art performance on standard benchmarks. Moreover, ReFit applies to other optimization settings, such as multi-view fitting and single-view shape fitting. Project website: https://yufu-wang.github.io/refit_humans/

Synthesizing inductive loop invariants is fundamental to automating program verification. In this work, we observe that Large Language Models (such as gpt-3.5 or gpt-4) are capable of synthesizing loop invariants for a class of programs in a 0-shot setting, yet require several samples to generate the correct invariants. This can lead to a large number of calls to a program verifier to establish an invariant. To address this issue, we propose a {\it re-ranking} approach for the generated results of LLMs. We have designed a ranker that can distinguish between correct inductive invariants and incorrect attempts based on the problem definition. The ranker is optimized as a contrastive ranker. Experimental results demonstrate that this re-ranking mechanism significantly improves the ranking of correct invariants among the generated candidates, leading to a notable reduction in the number of calls to a verifier.

This paper introduces a novel theoretical simplification of the Diffusion Schr\"odinger Bridge (DSB) that facilitates its unification with Score-based Generative Models (SGMs), addressing the limitations of DSB in complex data generation and enabling faster convergence and enhanced performance. By employing SGMs as an initial solution for DSB, our approach capitalizes on the strengths of both frameworks, ensuring a more efficient training process and improving the performance of SGM. We also propose a reparameterization technique that, despite theoretical approximations, practically improves the network's fitting capabilities. Our extensive experimental evaluations confirm the effectiveness of the simplified DSB, demonstrating its significant improvements. We believe the contributions of this work pave the way for advanced generative modeling. The code is available at https://github.com/checkcrab/SDSB.

Many machine learning tasks can be expressed as the transformation---or transduction---of input sequences into output sequences: speech recognition, machine translation, protein secondary structure prediction and text-to-speech to name but a few. One of the key challenges in sequence transduction is learning to represent both the input and output sequences in a way that is invariant to sequential distortions such as shrinking, stretching and translating. Recurrent neural networks (RNNs) are a powerful sequence learning architecture that has proven capable of learning such representations. However RNNs traditionally require a pre-defined alignment between the input and output sequences to perform transduction. This is a severe limitation since finding the alignment is the most difficult aspect of many sequence transduction problems. Indeed, even determining the length of the output sequence is often challenging. This paper introduces an end-to-end, probabilistic sequence transduction system, based entirely on RNNs, that is in principle able to transform any input sequence into any finite, discrete output sequence. Experimental results for phoneme recognition are provided on the TIMIT speech corpus.

We introduce RE-Adapt, an approach to fine-tuning large language models on new domains without degrading any pre-existing instruction-tuning. We reverse engineer an adapter which isolates what an instruction-tuned model has learned beyond its corresponding pretrained base model. Importantly, this requires no additional data or training. We can then fine-tune the base model on a new domain and readapt it to instruction following with the reverse engineered adapter. RE-Adapt and our low-rank variant LoRE-Adapt both outperform other methods of fine-tuning, across multiple popular LLMs and datasets, even when the models are used in conjunction with retrieval-augmented generation.

A key goal in mechanistic interpretability is circuit analysis: finding sparse subgraphs of models corresponding to specific behaviors or capabilities. However, MLP sublayers make fine-grained circuit analysis on transformer-based language models difficult. In particular, interpretable features -- such as those found by sparse autoencoders (SAEs) -- are typically linear combinations of extremely many neurons, each with its own nonlinearity to account for. Circuit analysis in this setting thus either yields intractably large circuits or fails to disentangle local and global behavior. To address this we explore transcoders, which seek to faithfully approximate a densely activating MLP layer with a wider, sparsely-activating MLP layer. We successfully train transcoders on language models with 120M, 410M, and 1.4B parameters, and find them to perform at least on par with SAEs in terms of sparsity, faithfulness, and human-interpretability. We then introduce a novel method for using transcoders to perform weights-based circuit analysis through MLP sublayers. The resulting circuits neatly factorize into input-dependent and input-invariant terms. Finally, we apply transcoders to reverse-engineer unknown circuits in the model, and we obtain novel insights regarding the greater-than circuit in GPT2-small. Our results suggest that transcoders can prove effective in decomposing model computations involving MLPs into interpretable circuits. Code is available at https://github.com/jacobdunefsky/transcoder_circuits.

Formal proofs are challenging to write even for experienced experts. Recent progress in Neural Theorem Proving (NTP) shows promise in expediting this process. However, the formal corpora available on the Internet are limited compared to the general text, posing a significant data scarcity challenge for NTP. To address this issue, this work proposes Alchemy, a general framework for data synthesis that constructs formal theorems through symbolic mutation. Specifically, for each candidate theorem in Mathlib, we identify all invocable theorems that can be used to rewrite or apply to it. Subsequently, we mutate the candidate theorem by replacing the corresponding term in the statement with its equivalent form or antecedent. As a result, our method increases the number of theorems in Mathlib by an order of magnitude, from 110k to 6M. Furthermore, we perform continual pretraining and supervised finetuning on this augmented corpus for large language models. Experimental results demonstrate the effectiveness of our approach, achieving a 5% absolute performance improvement on Leandojo benchmark. Additionally, our synthetic data achieve a 2.5% absolute performance gain on the out-of-distribution miniF2F benchmark. To provide further insights, we conduct a comprehensive analysis of synthetic data composition and the training paradigm, offering valuable guidance for developing a strong theorem prover.

Time series forecasting holds significant importance in many real-world dynamic systems and has been extensively studied. Unlike natural language process (NLP) and computer vision (CV), where a single large model can tackle multiple tasks, models for time series forecasting are often specialized, necessitating distinct designs for different tasks and applications. While pre-trained foundation models have made impressive strides in NLP and CV, their development in time series domains has been constrained by data sparsity. Recent studies have revealed that large language models (LLMs) possess robust pattern recognition and reasoning abilities over complex sequences of tokens. However, the challenge remains in effectively aligning the modalities of time series data and natural language to leverage these capabilities. In this work, we present Time-LLM, a reprogramming framework to repurpose LLMs for general time series forecasting with the backbone language models kept intact. We begin by reprogramming the input time series with text prototypes before feeding it into the frozen LLM to align the two modalities. To augment the LLM's ability to reason with time series data, we propose Prompt-as-Prefix (PaP), which enriches the input context and directs the transformation of reprogrammed input patches. The transformed time series patches from the LLM are finally projected to obtain the forecasts. Our comprehensive evaluations demonstrate that Time-LLM is a powerful time series learner that outperforms state-of-the-art, specialized forecasting models. Moreover, Time-LLM excels in both few-shot and zero-shot learning scenarios.

Antibodies comprise the most versatile class of binding molecules, with numerous applications in biomedicine. Computational design of antibodies involves generating novel and diverse sequences, while maintaining structural consistency. Unique to antibodies, designing the complementarity-determining region (CDR), which determines the antigen binding affinity and specificity, creates its own unique challenges. Recent deep learning models have shown impressive results, however the limited number of known antibody sequence/structure pairs frequently leads to degraded performance, particularly lacking diversity in the generated sequences. In our work we address this challenge by leveraging Model Reprogramming (MR), which repurposes pretrained models on a source language to adapt to the tasks that are in a different language and have scarce data - where it may be difficult to train a high-performing model from scratch or effectively fine-tune an existing pre-trained model on the specific task. Specifically, we introduce ReprogBert in which a pretrained English language model is repurposed for protein sequence infilling - thus considers cross-language adaptation using less data. Results on antibody design benchmarks show that our model on low-resourced antibody sequence dataset provides highly diverse CDR sequences, up to more than a two-fold increase of diversity over the baselines, without losing structural integrity and naturalness. The generated sequences also demonstrate enhanced antigen binding specificity and virus neutralization ability. Code is available at https://github.com/IBM/ReprogBERT

Previous works on Treatment Effect Estimation (TEE) are not in widespread use because they are predominantly theoretical, where strong parametric assumptions are made but untractable for practical application. Recent work uses multilayer perceptron (MLP) for modeling casual relationships, however, MLPs lag far behind recent advances in ML methodology, which limits their applicability and generalizability. To extend beyond the single domain formulation and towards more realistic learning scenarios, we explore model design spaces beyond MLPs, i.e., transformer backbones, which provide flexibility where attention layers govern interactions among treatments and covariates to exploit structural similarities of potential outcomes for confounding control. Through careful model design, Transformers as Treatment Effect Estimators (TransTEE) is proposed. We show empirically that TransTEE can: (1) serve as a general purpose treatment effect estimator that significantly outperforms competitive baselines in a variety of challenging TEE problems (e.g., discrete, continuous, structured, or dosage-associated treatments) and is applicable to both when covariates are tabular and when they consist of structural data (e.g., texts, graphs); (2) yield multiple advantages: compatibility with propensity score modeling, parameter efficiency, robustness to continuous treatment value distribution shifts, explainable in covariate adjustment, and real-world utility in auditing pre-trained language models

Class-Incremental Learning (CIL) requires models to continually acquire knowledge of new classes without forgetting old ones. Despite Pre-trained Models (PTMs) have shown excellent performance in CIL, catastrophic forgetting still occurs as the model learns new concepts. Existing work seeks to utilize lightweight components to adjust the PTM, while the forgetting phenomenon still comes from {\em parameter and retrieval} levels. Specifically, iterative updates of the model result in parameter drift, while mistakenly retrieving irrelevant modules leads to the mismatch during inference. To this end, we propose MOdel Surgery (MOS) to rescue the model from forgetting previous knowledge. By training task-specific adapters, we continually adjust the PTM to downstream tasks. To mitigate parameter-level forgetting, we present an adapter merging approach to learn task-specific adapters, which aims to bridge the gap between different components while reserve task-specific information. Besides, to address retrieval-level forgetting, we introduce a training-free self-refined adapter retrieval mechanism during inference, which leverages the model's inherent ability for better adapter retrieval. By jointly rectifying the model with those steps, MOS can robustly resist catastrophic forgetting in the learning process. Extensive experiments on seven benchmark datasets validate MOS's state-of-the-art performance. Code is available at: https://github.com/sun-hailong/AAAI25-MOS

Research shows that grammatical mistakes in a sentence can be corrected by translating it to another language and back using neural machine translation with language models. We investigate whether this correction capability of Large Language Models (LLMs) extends to Automatic Program Repair (APR). Current generative models for APR are pre-trained on source code and fine-tuned for repair. This paper proposes bypassing the fine-tuning step and using Round-Trip Translation (RTT): translation of code from one programming language to another programming or natural language, and back. We hypothesize that RTT with LLMs restores the most commonly seen patterns in code during pre-training, i.e., performs a regression toward the mean, which removes bugs as they are a form of noise w.r.t. the more frequent, natural, bug-free code in the training data. To test this hypothesis, we employ eight recent LLMs pre-trained on code, including the latest GPT versions, and four common program repair benchmarks in Java. We find that RTT with English as an intermediate language repaired 101 of 164 bugs with GPT-4 on the HumanEval-Java dataset. Moreover, 46 of these are unique bugs that are not repaired by other LLMs fine-tuned for APR. Our findings highlight the viability of round-trip translation with LLMs as a technique for automated program repair and its potential for research in software engineering. Keywords: automated program repair, large language model, machine translation

Transformers have become the predominant architecture in foundation models due to their excellent performance across various domains. However, the substantial cost of scaling these models remains a significant concern. This problem arises primarily from their dependence on a fixed number of parameters within linear projections. When architectural modifications (e.g., channel dimensions) are introduced, the entire model typically requires retraining from scratch. As model sizes continue growing, this strategy results in increasingly high computational costs and becomes unsustainable. To overcome this problem, we introduce TokenFormer, a natively scalable architecture that leverages the attention mechanism not only for computations among input tokens but also for interactions between tokens and model parameters, thereby enhancing architectural flexibility. By treating model parameters as tokens, we replace all the linear projections in Transformers with our token-parameter attention layer, where input tokens act as queries and model parameters as keys and values. This reformulation allows for progressive and efficient scaling without necessitating retraining from scratch. Our model scales from 124M to 1.4B parameters by incrementally adding new key-value parameter pairs, achieving performance comparable to Transformers trained from scratch while greatly reducing training costs. Code and models are available at https://github.com/Haiyang-W/TokenFormer.

We prove an inverse approximation theorem for the approximation of nonlinear sequence-to-sequence relationships using recurrent neural networks (RNNs). This is a so-called Bernstein-type result in approximation theory, which deduces properties of a target function under the assumption that it can be effectively approximated by a hypothesis space. In particular, we show that nonlinear sequence relationships that can be stably approximated by nonlinear RNNs must have an exponential decaying memory structure - a notion that can be made precise. This extends the previously identified curse of memory in linear RNNs into the general nonlinear setting, and quantifies the essential limitations of the RNN architecture for learning sequential relationships with long-term memory. Based on the analysis, we propose a principled reparameterization method to overcome the limitations. Our theoretical results are confirmed by numerical experiments. The code has been released in https://github.com/radarFudan/Curse-of-memory

Program synthesis or code generation aims to generate a program that satisfies a problem specification. Recent approaches using large-scale pretrained language models (LMs) have shown promising results, yet they have some critical limitations. In particular, they often follow a standard supervised fine-tuning procedure to train a code generation model only from the pairs of natural-language problem descriptions and ground-truth programs. Such paradigm largely ignores some important but potentially useful signals in the problem specification such as unit tests, which thus often results in poor performance when solving complex unseen coding tasks. To address the limitations, we propose "CodeRL", a new framework for program synthesis tasks through pretrained LMs and deep reinforcement learning (RL). Specifically, during training, we treat the code-generating LM as an actor network, and introduce a critic network that is trained to predict the functional correctness of generated programs and provide dense feedback signals to the actor. During inference, we introduce a new generation procedure with a critical sampling strategy that allows a model to automatically regenerate programs based on feedback from example unit tests and critic scores. For the model backbones, we extended the encoder-decoder architecture of CodeT5 with enhanced learning objectives, larger model sizes, and better pretraining data. Our method not only achieves new SOTA results on the challenging APPS benchmark, but also shows strong zero-shot transfer capability with new SOTA results on the simpler MBPP benchmark.

Continual learning aims to emulate the human ability to continually accumulate knowledge over sequential tasks. The main challenge is to maintain performance on previously learned tasks after learning new tasks, i.e., to avoid catastrophic forgetting. We propose a Channel-wise Lightweight Reprogramming (CLR) approach that helps convolutional neural networks (CNNs) overcome catastrophic forgetting during continual learning. We show that a CNN model trained on an old task (or self-supervised proxy task) could be ``reprogrammed" to solve a new task by using our proposed lightweight (very cheap) reprogramming parameter. With the help of CLR, we have a better stability-plasticity trade-off to solve continual learning problems: To maintain stability and retain previous task ability, we use a common task-agnostic immutable part as the shared ``anchor" parameter set. We then add task-specific lightweight reprogramming parameters to reinterpret the outputs of the immutable parts, to enable plasticity and integrate new knowledge. To learn sequential tasks, we only train the lightweight reprogramming parameters to learn each new task. Reprogramming parameters are task-specific and exclusive to each task, which makes our method immune to catastrophic forgetting. To minimize the parameter requirement of reprogramming to learn new tasks, we make reprogramming lightweight by only adjusting essential kernels and learning channel-wise linear mappings from anchor parameters to task-specific domain knowledge. We show that, for general CNNs, the CLR parameter increase is less than 0.6\% for any new task. Our method outperforms 13 state-of-the-art continual learning baselines on a new challenging sequence of 53 image classification datasets. Code and data are available at https://github.com/gyhandy/Channel-wise-Lightweight-Reprogramming

When learning an input-output mapping from very few examples, is it better to first infer a latent function that explains the examples, or is it better to directly predict new test outputs, e.g. using a neural network? We study this question on ARC by training neural models for induction (inferring latent functions) and transduction (directly predicting the test output for a given test input). We train on synthetically generated variations of Python programs that solve ARC training tasks. We find inductive and transductive models solve different kinds of test problems, despite having the same training problems and sharing the same neural architecture: Inductive program synthesis excels at precise computations, and at composing multiple concepts, while transduction succeeds on fuzzier perceptual concepts. Ensembling them approaches human-level performance on ARC.

Automated program repair (APR) using deep learning techniques has become an important area of research in recent years, aiming to automatically generate bug-fixing patches that can improve software reliability and maintainability. However, most existing methods either target a single language or require high computational resources to train multilingual models. In this paper, we propose T5APR, a novel neural program repair approach that provides a unified solution for bug fixing across multiple programming languages. T5APR leverages CodeT5, a powerful pre-trained text-to-text transformer model, and adopts a checkpoint ensemble strategy to improve patch recommendation. We conduct comprehensive evaluations on six well-known benchmarks in four programming languages (Java, Python, C, JavaScript), demonstrating T5APR's competitiveness against state-of-the-art techniques. T5APR correctly fixes 1,985 bugs, including 1,442 bugs that none of the compared techniques has fixed. We further support the effectiveness of our approach by conducting detailed analyses, such as comparing the correct patch ranking among different techniques. The findings of this study demonstrate the potential of T5APR for use in real-world applications and highlight the importance of multilingual approaches in the field of APR.

The growing size of datasets and deep learning models has made faster and memory-efficient training crucial. Reversible transformers have recently been introduced as an exciting new method for extremely memory-efficient training, but they come with an additional computation overhead of activation re-computation in the backpropagation phase. We present PaReprop, a fast Parallelized Reversible Backpropagation algorithm that parallelizes the additional activation re-computation overhead in reversible training with the gradient computation itself in backpropagation phase. We demonstrate the effectiveness of the proposed PaReprop algorithm through extensive benchmarking across model families (ViT, MViT, Swin and RoBERTa), data modalities (Vision & NLP), model sizes (from small to giant), and training batch sizes. Our empirical results show that PaReprop achieves up to 20% higher training throughput than vanilla reversible training, largely mitigating the theoretical overhead of 25% lower throughput from activation recomputation in reversible training. Project page: https://tylerzhu.com/pareprop.

Large language models are increasingly solving tasks that are commonly believed to require human-level reasoning ability. However, these models still perform very poorly on benchmarks of general intelligence such as the Abstraction and Reasoning Corpus (ARC). In this paper, we approach ARC as a programming-by-examples problem, and introduce a novel and scalable method for language model self-improvement called Code Iteration (CodeIt). Our method iterates between 1) program sampling and hindsight relabeling, and 2) learning from prioritized experience replay. By relabeling the goal of an episode (i.e., the target program output given input) to the realized output produced by the sampled program, our method effectively deals with the extreme sparsity of rewards in program synthesis. Applying CodeIt to the ARC dataset, we demonstrate that prioritized hindsight replay, along with pre-training and data-augmentation, leads to successful inter-task generalization. CodeIt is the first neuro-symbolic approach that scales to the full ARC evaluation dataset. Our method solves 15% of ARC evaluation tasks, achieving state-of-the-art performance and outperforming existing neural and symbolic baselines.

Inverse protein folding -- the task of predicting a protein sequence from its backbone atom coordinates -- has surfaced as an important problem in the "top down", de novo design of proteins. Contemporary approaches have cast this problem as a conditional generative modelling problem, where a large generative model over protein sequences is conditioned on the backbone. While these generative models very rapidly produce promising sequences, independent draws from generative models may fail to produce sequences that reliably fold to the correct backbone. Furthermore, it is challenging to adapt pure generative approaches to other settings, e.g., when constraints exist. In this paper, we cast the problem of improving generated inverse folds as an optimization problem that we solve using recent advances in "deep" or "latent space" Bayesian optimization. Our approach consistently produces protein sequences with greatly reduced structural error to the target backbone structure as measured by TM score and RMSD while using fewer computational resources. Additionally, we demonstrate other advantages of an optimization-based approach to the problem, such as the ability to handle constraints.

We propose a design pattern for tackling text ranking problems, dubbed "Expando-Mono-Duo", that has been empirically validated for a number of ad hoc retrieval tasks in different domains. At the core, our design relies on pretrained sequence-to-sequence models within a standard multi-stage ranking architecture. "Expando" refers to the use of document expansion techniques to enrich keyword representations of texts prior to inverted indexing. "Mono" and "Duo" refer to components in a reranking pipeline based on a pointwise model and a pairwise model that rerank initial candidates retrieved using keyword search. We present experimental results from the MS MARCO passage and document ranking tasks, the TREC 2020 Deep Learning Track, and the TREC-COVID challenge that validate our design. In all these tasks, we achieve effectiveness that is at or near the state of the art, in some cases using a zero-shot approach that does not exploit any training data from the target task. To support replicability, implementations of our design pattern are open-sourced in the Pyserini IR toolkit and PyGaggle neural reranking library.

Recent studies suggest that with sufficiently wide models, most SGD solutions can, up to permutation, converge into the same basin. This phenomenon, known as the model re-basin regime, has significant implications for model averaging by ensuring the linear mode connectivity. However, current re-basin strategies are ineffective in many scenarios due to a lack of comprehensive understanding of underlying mechanisms. Addressing this gap, this paper provides novel insights into understanding and improving the standard practice. Firstly, we decompose re-normalization into rescaling and reshift, uncovering that rescaling plays a crucial role in re-normalization while re-basin performance is sensitive to shifts in model activation. The finding calls for a more nuanced handling of the activation shift. Secondly, we identify that the merged model suffers from the issue of activation collapse and magnitude collapse. Varying the learning rate, weight decay, and initialization method can mitigate the issues and improve model performance. Lastly, we propose a new perspective to unify the re-basin and pruning, under which a lightweight yet effective post-pruning technique is derived, which can significantly improve the model performance after pruning. Our implementation is available at https://github.com/XingyuQu/rethink-re-basin.

Existing LMs struggle with proof-oriented programming due to data scarcity, which manifest in two key ways: (1) a lack of sufficient corpora for proof-oriented programming languages such as F*, and (2) the absence of large-scale, project-level proof-oriented implementations that can teach the model the intricate reasoning process when performing proof-oriented programming. We present the first on synthetic data augmentation for project level proof oriented programming for both generation and repair. Our method addresses data scarcity by synthesizing basic proof-oriented programming problems for proficiency in that language; incorporating diverse coding data for reasoning capability elicitation and creating new proofs and repair data within existing repositories. This approach enables language models to both synthesize and repair proofs for function- and repository-level code. We show that our fine-tuned 14B parameter model, PoPilot, can exceed the performance of the models that outperforms GPT-4o in project-level proof-oriented programming by 64% relative margin, and can improve GPT-4o's performance by 54% by repairing its outputs over GPT-4o's self-repair.

Maintaining legacy software requires many software and systems engineering hours. Assembly code programs, which demand low-level control over the computer machine state and have no variable names, are particularly difficult for humans to analyze. Existing conventional program translators guarantee correctness, but are hand-engineered for the source and target programming languages in question. Learned transpilation, i.e. automatic translation of code, offers an alternative to manual re-writing and engineering efforts. Automated symbolic program translation approaches guarantee correctness but struggle to scale to longer programs due to the exponentially large search space. Their rigid rule-based systems also limit their expressivity, so they can only reason about a reduced space of programs. Probabilistic neural language models (LMs) produce plausible outputs for every input, but do so at the cost of guaranteed correctness. In this work, we leverage the strengths of LMs and symbolic solvers in a neurosymbolic approach to learned transpilation for assembly code. Assembly code is an appropriate setting for a neurosymbolic approach, since assembly code can be divided into shorter non-branching basic blocks amenable to the use of symbolic methods. Guess & Sketch extracts alignment and confidence information from features of the LM then passes it to a symbolic solver to resolve semantic equivalence of the transpilation input and output. We test Guess & Sketch on three different test sets of assembly transpilation tasks, varying in difficulty, and show that it successfully transpiles 57.6% more examples than GPT-4 and 39.6% more examples than an engineered transpiler. We also share a training and evaluation dataset for this task.

The task of "unlearning" certain concepts in large language models (LLMs) has attracted immense attention recently, due to its importance for mitigating undesirable model behaviours, such as the generation of harmful, private, or incorrect information. Current protocols to evaluate unlearning methods largely rely on behavioral tests, without monitoring the presence of unlearned knowledge within the model's parameters. This residual knowledge can be adversarially exploited to recover the erased information post-unlearning. We argue that unlearning should also be evaluated internally, by considering changes in the parametric knowledge traces of the unlearned concepts. To this end, we propose a general methodology for eliciting directions in the parameter space (termed "concept vectors") that encode concrete concepts, and construct ConceptVectors, a benchmark dataset containing hundreds of common concepts and their parametric knowledge traces within two open-source LLMs. Evaluation on ConceptVectors shows that existing unlearning methods minimally impact concept vectors, while directly ablating these vectors demonstrably removes the associated knowledge from the LLMs and significantly reduces their susceptibility to adversarial manipulation. Our results highlight limitations in behavioral-based unlearning evaluations and call for future work to include parametric-based evaluations. To support this, we release our code and benchmark at https://github.com/yihuaihong/ConceptVectors.

This paper proposes an unsupervised method that leverages topological characteristics of data manifolds to estimate class separability of the data without requiring labels. Experiments conducted in this paper on several datasets demonstrate a clear correlation and consistency between the class separability estimated by the proposed method with supervised metrics like Fisher Discriminant Ratio~(FDR) and cross-validation of a classifier, which both require labels. This can enable implementing learning paradigms aimed at learning from both labeled and unlabeled data, like semi-supervised and transductive learning. This would be particularly useful when we have limited labeled data and a relatively large unlabeled dataset that can be used to enhance the learning process. The proposed method is implemented for language model fine-tuning with automated stopping criterion by monitoring class separability of the embedding-space manifold in an unsupervised setting. The proposed methodology has been first validated on synthetic data, where the results show a clear consistency between class separability estimated by the proposed method and class separability computed by FDR. The method has been also implemented on both public and internal data. The results show that the proposed method can effectively aid -- without the need for labels -- a decision on when to stop or continue the fine-tuning of a language model and which fine-tuning iteration is expected to achieve a maximum classification performance through quantification of the class separability of the embedding manifold.

As language models scale up, it becomes increasingly expensive to verify research ideas because conclusions on small models do not trivially transfer to large ones. A possible solution is to establish a generic system that directly predicts some metrics for large models solely based on the results and hyperparameters from small models. Existing methods based on scaling laws require hyperparameter search on the largest models, which is impractical with limited resources. We address this issue by presenting our discoveries indicating that Maximal Update parametrization (Mup) enables accurate fitting of scaling laws for hyperparameters close to common loss basins, without any search. Thus, different models can be directly compared on large scales with loss prediction even before the training starts. We propose a new paradigm as a first step towards reliable academic research for any model scale without heavy computation. Code is publicly available at https://github.com/cofe-ai/Mu-scaling.

We show that the way inference is performed in few-shot segmentation tasks has a substantial effect on performances -- an aspect often overlooked in the literature in favor of the meta-learning paradigm. We introduce a transductive inference for a given query image, leveraging the statistics of its unlabeled pixels, by optimizing a new loss containing three complementary terms: i) the cross-entropy on the labeled support pixels; ii) the Shannon entropy of the posteriors on the unlabeled query-image pixels; and iii) a global KL-divergence regularizer based on the proportion of the predicted foreground. As our inference uses a simple linear classifier of the extracted features, its computational load is comparable to inductive inference and can be used on top of any base training. Foregoing episodic training and using only standard cross-entropy training on the base classes, our inference yields competitive performances on standard benchmarks in the 1-shot scenarios. As the number of available shots increases, the gap in performances widens: on PASCAL-5i, our method brings about 5% and 6% improvements over the state-of-the-art, in the 5- and 10-shot scenarios, respectively. Furthermore, we introduce a new setting that includes domain shifts, where the base and novel classes are drawn from different datasets. Our method achieves the best performances in this more realistic setting. Our code is freely available online: https://github.com/mboudiaf/RePRI-for-Few-Shot-Segmentation.

Continual learning has gained increasing importance as it facilitates the acquisition and refinement of scalable knowledge and skills in language models. However, existing methods typically encounter strict limitations and challenges in real-world scenarios, such as reliance on experience replay, optimization constraints, and inference task-ID. In this study, we introduce the Scalable Language Model (SLM) to overcome these limitations within a more challenging and generalized setting, representing a significant advancement toward practical applications for continual learning. Specifically, we propose the Joint Adaptive Re-Parameterization (JARe), integrated with Dynamic Task-related Knowledge Retrieval (DTKR), to enable adaptive adjustment of language models based on specific downstream tasks. This approach leverages the task distribution within the vector space, aiming to achieve a smooth and effortless continual learning process. Our method demonstrates state-of-the-art performance on diverse backbones and benchmarks, achieving effective continual learning in both full-set and few-shot scenarios with minimal forgetting. Moreover, while prior research primarily focused on a single task type such as classification, our study goes beyond, with the large language model, i.e., LLaMA-2, to explore the effects across diverse domains and task types, such that a single language model can be decently scaled to broader applications.

Large Language Models (LLMs) have transformed numerous fields by enabling advanced natural language interactions but remain susceptible to critical vulnerabilities, particularly jailbreak attacks. Current jailbreak techniques, while effective, often depend on input modifications, making them detectable and limiting their stealth and scalability. This paper presents Targeted Model Editing (TME), a novel white-box approach that bypasses safety filters by minimally altering internal model structures while preserving the model's intended functionalities. TME identifies and removes safety-critical transformations (SCTs) embedded in model matrices, enabling malicious queries to bypass restrictions without input modifications. By analyzing distinct activation patterns between safe and unsafe queries, TME isolates and approximates SCTs through an optimization process. Implemented in the D-LLM framework, our method achieves an average Attack Success Rate (ASR) of 84.86% on four mainstream open-source LLMs, maintaining high performance. Unlike existing methods, D-LLM eliminates the need for specific triggers or harmful response collections, offering a stealthier and more effective jailbreak strategy. This work reveals a covert and robust threat vector in LLM security and emphasizes the need for stronger safeguards in model safety alignment.

Neural Networks can be efficiently compressed through pruning, significantly reducing storage and computational demands while maintaining predictive performance. Simple yet effective methods like Iterative Magnitude Pruning (IMP, Han et al., 2015) remove less important parameters and require a costly retraining procedure to recover performance after pruning. However, with the rise of Large Language Models (LLMs), full retraining has become infeasible due to memory and compute constraints. In this study, we challenge the practice of retraining all parameters by demonstrating that updating only a small subset of highly expressive parameters is often sufficient to recover or even improve performance compared to full retraining. Surprisingly, retraining as little as 0.27%-0.35% of the parameters of GPT-architectures (OPT-2.7B/6.7B/13B/30B) achieves comparable performance to One Shot IMP across various sparsity levels. Our method, Parameter-Efficient Retraining after Pruning (PERP), drastically reduces compute and memory demands, enabling pruning and retraining of up to 30 billion parameter models on a single NVIDIA A100 GPU within minutes. Despite magnitude pruning being considered as unsuited for pruning LLMs, our findings show that PERP positions it as a strong contender against state-of-the-art retraining-free approaches such as Wanda (Sun et al., 2023) and SparseGPT (Frantar & Alistarh, 2023), opening up a promising alternative to avoiding retraining.

We present a simple and effective pretraining strategy -- bidirectional training (BiT) for neural machine translation. Specifically, we bidirectionally update the model parameters at the early stage and then tune the model normally. To achieve bidirectional updating, we simply reconstruct the training samples from "srcrightarrowtgt" to "src+tgtrightarrowtgt+src" without any complicated model modifications. Notably, our approach does not increase any parameters or training steps, requiring the parallel data merely. Experimental results show that BiT pushes the SOTA neural machine translation performance across 15 translation tasks on 8 language pairs (data sizes range from 160K to 38M) significantly higher. Encouragingly, our proposed model can complement existing data manipulation strategies, i.e. back translation, data distillation, and data diversification. Extensive analyses show that our approach functions as a novel bilingual code-switcher, obtaining better bilingual alignment.

While fine-tuning pretrained models has become common practice, these models often underperform outside their specific domains. Recently developed model merging techniques enable the direct integration of multiple models, each fine-tuned for distinct tasks, into a single model. This strategy promotes multitasking capabilities without requiring retraining on the original datasets. However, existing methods fall short in addressing potential conflicts and complex correlations between tasks, especially in parameter-level adjustments, posing a challenge in effectively balancing parameter competition across various tasks. This paper introduces an innovative technique named PCB-Merging (Parameter Competition Balancing), a lightweight and training-free technique that adjusts the coefficients of each parameter for effective model merging. PCB-Merging employs intra-balancing to gauge parameter significance within individual tasks and inter-balancing to assess parameter similarities across different tasks. Parameters with low importance scores are dropped, and the remaining ones are rescaled to form the final merged model. We assessed our approach in diverse merging scenarios, including cross-task, cross-domain, and cross-training configurations, as well as out-of-domain generalization. The experimental results reveal that our approach achieves substantial performance enhancements across multiple modalities, domains, model sizes, number of tasks, fine-tuning forms, and large language models, outperforming existing model merging methods. The code is publicly available at: https://github.com/duguodong7/pcb-merging.

Current unlearning methods for large language models usually rely on reverse optimization to reduce target token probabilities. However, this paradigm disrupts the subsequent tokens prediction, degrading model performance and linguistic coherence. Moreover, existing evaluation metrics overemphasize contextual forgetting while inadequately assessing response fluency and relevance. To address these challenges, we propose ReLearn, a data augmentation and fine-tuning pipeline for effective unlearning, along with a comprehensive evaluation framework. This framework introduces Knowledge Forgetting Rate (KFR) and Knowledge Retention Rate (KRR) to measure knowledge-level preservation, and Linguistic Score (LS) to evaluate generation quality. Our experiments show that ReLearn successfully achieves targeted forgetting while preserving high-quality output. Through mechanistic analysis, we further demonstrate how reverse optimization disrupts coherent text generation, while ReLearn preserves this essential capability. Code is available at https://github.com/zjunlp/unlearn.

Large language models (LLMs) are routinely pre-trained on billions of tokens, only to start the process over again once new data becomes available. A much more efficient solution is to continually pre-train these models, saving significant compute compared to re-training. However, the distribution shift induced by new data typically results in degraded performance on previous data or poor adaptation to the new data. In this work, we show that a simple and scalable combination of learning rate (LR) re-warming, LR re-decaying, and replay of previous data is sufficient to match the performance of fully re-training from scratch on all available data, as measured by final loss and language model (LM) evaluation benchmarks. Specifically, we show this for a weak but realistic distribution shift between two commonly used LLM pre-training datasets (EnglishrightarrowEnglish) and a stronger distribution shift (EnglishrightarrowGerman) at the 405M parameter model scale with large dataset sizes (hundreds of billions of tokens). Selecting the weak but realistic shift for larger-scale experiments, we also find that our continual learning strategies match the re-training baseline for a 10B parameter LLM. Our results demonstrate that LLMs can be successfully updated via simple and scalable continual learning strategies, matching the re-training baseline using only a fraction of the compute. Finally, inspired by previous work, we propose alternatives to the cosine learning rate schedule that help circumvent forgetting induced by LR re-warming and that are not bound to a fixed token budget.

Training large transformer models is one of the most important computational challenges of modern AI. In this paper, we show how to significantly accelerate training of large transformer models by reducing activation recomputation. Activation recomputation is commonly used to work around memory capacity constraints. Rather than storing activations for backpropagation, they are traditionally recomputed, which saves memory but adds redundant compute. In this work, we show most of this redundant compute is unnecessary because we can reduce memory consumption sufficiently without it. We present two novel yet very simple techniques: sequence parallelism and selective activation recomputation. In conjunction with tensor parallelism, these techniques almost eliminate the need to recompute activations. We evaluate our approach on language models up to one trillion parameters in scale and show that our method reduces activation memory by 5x, while reducing execution time overhead from activation recomputation by over 90%. For example, when training a 530B parameter GPT-3 style model on 2240 NVIDIA A100 GPUs, we achieve a Model Flops Utilization of 54.2%, which is 29% faster than the 42.1% we achieve using recomputation. Our implementation will be available in both Megatron-LM and NeMo-Megatron.

Robust and effective scaling of models from small to large width typically requires the precise adjustment of many algorithmic and architectural details, such as parameterization and optimizer choices. In this work, we propose a new perspective on parameterization by investigating a key assumption in prior work about the alignment between parameters and data and derive new theoretical results under weaker assumptions and a broader set of optimizers. Our extensive empirical investigation includes tens of thousands of models trained with all combinations of three optimizers, four parameterizations, several alignment assumptions, more than a dozen learning rates, and fourteen model sizes up to 26.8B parameters. We find that the best learning rate scaling prescription would often have been excluded by the assumptions in prior work. Our results show that all parameterizations, not just maximal update parameterization (muP), can achieve hyperparameter transfer; moreover, our novel per-layer learning rate prescription for standard parameterization outperforms muP. Finally, we demonstrate that an overlooked aspect of parameterization, the epsilon parameter in Adam, must be scaled correctly to avoid gradient underflow and propose Adam-atan2, a new numerically stable, scale-invariant version of Adam that eliminates the epsilon hyperparameter entirely.

As mathematical computing becomes more democratized in high-level languages, high-performance symbolic-numeric systems are necessary for domain scientists and engineers to get the best performance out of their machine without deep knowledge of code optimization. Naturally, users need different term types either to have different algebraic properties for them, or to use efficient data structures. To this end, we developed Symbolics.jl, an extendable symbolic system which uses dynamic multiple dispatch to change behavior depending on the domain needs. In this work we detail an underlying abstract term interface which allows for speed without sacrificing generality. We show that by formalizing a generic API on actions independent of implementation, we can retroactively add optimized data structures to our system without changing the pre-existing term rewriters. We showcase how this can be used to optimize term construction and give a 113x acceleration on general symbolic transformations. Further, we show that such a generic API allows for complementary term-rewriting implementations. We demonstrate the ability to swap between classical term-rewriting simplifiers and e-graph-based term-rewriting simplifiers. We showcase an e-graph ruleset which minimizes the number of CPU cycles during expression evaluation, and demonstrate how it simplifies a real-world reaction-network simulation to halve the runtime. Additionally, we show a reaction-diffusion partial differential equation solver which is able to be automatically converted into symbolic expressions via multiple dispatch tracing, which is subsequently accelerated and parallelized to give a 157x simulation speedup. Together, this presents Symbolics.jl as a next-generation symbolic-numeric computing environment geared towards modeling and simulation.

We introduce UniGraspTransformer, a universal Transformer-based network for dexterous robotic grasping that simplifies training while enhancing scalability and performance. Unlike prior methods such as UniDexGrasp++, which require complex, multi-step training pipelines, UniGraspTransformer follows a streamlined process: first, dedicated policy networks are trained for individual objects using reinforcement learning to generate successful grasp trajectories; then, these trajectories are distilled into a single, universal network. Our approach enables UniGraspTransformer to scale effectively, incorporating up to 12 self-attention blocks for handling thousands of objects with diverse poses. Additionally, it generalizes well to both idealized and real-world inputs, evaluated in state-based and vision-based settings. Notably, UniGraspTransformer generates a broader range of grasping poses for objects in various shapes and orientations, resulting in more diverse grasp strategies. Experimental results demonstrate significant improvements over state-of-the-art, UniDexGrasp++, across various object categories, achieving success rate gains of 3.5%, 7.7%, and 10.1% on seen objects, unseen objects within seen categories, and completely unseen objects, respectively, in the vision-based setting. Project page: https://dexhand.github.io/UniGraspTransformer.

Graph neural networks (GNNs), in general, are built on the assumption of a static set of features characterizing each node in a graph. This assumption is often violated in practice. Existing methods partly address this issue through feature imputation. However, these techniques (i) assume uniformity of feature set across nodes, (ii) are transductive by nature, and (iii) fail to work when features are added or removed over time. In this work, we address these limitations through a novel GNN framework called GRAFENNE. GRAFENNE performs a novel allotropic transformation on the original graph, wherein the nodes and features are decoupled through a bipartite encoding. Through a carefully chosen message passing framework on the allotropic transformation, we make the model parameter size independent of the number of features and thereby inductive to both unseen nodes and features. We prove that GRAFENNE is at least as expressive as any of the existing message-passing GNNs in terms of Weisfeiler-Leman tests, and therefore, the additional inductivity to unseen features does not come at the cost of expressivity. In addition, as demonstrated over four real-world graphs, GRAFENNE empowers the underlying GNN with high empirical efficacy and the ability to learn in continual fashion over streaming feature sets.

We propose expanding the shared Transformer module to produce and initialize Transformers of varying depths, enabling adaptation to diverse resource constraints. Drawing an analogy to genetic expansibility, we term such module as learngene. To identify the expansion mechanism, we delve into the relationship between the layer's position and its corresponding weight value, and find that linear function appropriately approximates this relationship. Building on this insight, we present Transformer as Linear Expansion of learnGene (TLEG), a novel approach for flexibly producing and initializing Transformers of diverse depths. Specifically, to learn learngene, we firstly construct an auxiliary Transformer linearly expanded from learngene, after which we train it through employing soft distillation. Subsequently, we can produce and initialize Transformers of varying depths via linearly expanding the well-trained learngene, thereby supporting diverse downstream scenarios. Extensive experiments on ImageNet-1K demonstrate that TLEG achieves comparable or better performance in contrast to many individual models trained from scratch, while reducing around 2x training cost. When transferring to several downstream classification datasets, TLEG surpasses existing initialization methods by a large margin (e.g., +6.87% on iNat 2019 and +7.66% on CIFAR-100). Under the situation where we need to produce models of varying depths adapting for different resource constraints, TLEG achieves comparable results while reducing around 19x parameters stored to initialize these models and around 5x pre-training costs, in contrast to the pre-training and fine-tuning approach. When transferring a fixed set of parameters to initialize different models, TLEG presents better flexibility and competitive performance while reducing around 2.9x parameters stored to initialize, compared to the pre-training approach.

In multi-task learning, the conventional approach involves training a model on multiple tasks simultaneously. However, the training signals from different tasks can interfere with one another, potentially leading to negative transfer. To mitigate this, we investigate if modular language models can facilitate positive transfer and systematic generalization. Specifically, we propose a novel modular language model (TensorPoly), that balances parameter efficiency with nuanced routing methods. For modules, we reparameterize Low-Rank Adaptation (LoRA) by employing an entangled tensor through the use of tensor product operations and name the resulting approach TLoRA. For routing function, we tailor two innovative routing functions according to the granularity: TensorPoly-I which directs to each rank within the entangled tensor while TensorPoly-II offers a finer-grained routing approach targeting each order of the entangled tensor. The experimental results from the multi-task T0-benchmark demonstrate that: 1) all modular LMs surpass the corresponding dense approaches, highlighting the potential of modular language models to mitigate negative inference in multi-task learning and deliver superior outcomes. 2) TensorPoly-I achieves higher parameter efficiency in adaptation and outperforms other modular LMs, which shows the potential of our approach in multi-task transfer learning.

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential evolutionary knowledge from the universe of natural protein sequences, to acquire an immediate capability to design preferable protein sequences for given folds. We conduct a structural surgery on pLMs, where a lightweight structural adapter is implanted into pLMs and endows it with structural awareness. During inference, iterative refinement is performed to effectively optimize the generated protein sequences. Experiments show that LM-Design improves the state-of-the-art results by a large margin, leading to up to 4% to 12% accuracy gains in sequence recovery (e.g., 55.65%/56.63% on CATH 4.2/4.3 single-chain benchmarks, and >60% when designing protein complexes). We provide extensive and in-depth analyses, which verify that LM-Design can (1) indeed leverage both structural and sequential knowledge to accurately handle structurally non-deterministic regions, (2) benefit from scaling data and model size, and (3) generalize to other proteins (e.g., antibodies and de novo proteins)

With multilingual machine translation (MMT) models continuing to grow in size and number of supported languages, it is natural to reuse and upgrade existing models to save computation as data becomes available in more languages. However, adding new languages requires updating the vocabulary, which complicates the reuse of embeddings. The question of how to reuse existing models while also making architectural changes to provide capacity for both old and new languages has also not been closely studied. In this work, we introduce three techniques that help speed up effective learning of the new languages and alleviate catastrophic forgetting despite vocabulary and architecture mismatches. Our results show that by (1) carefully initializing the network, (2) applying learning rate scaling, and (3) performing data up-sampling, it is possible to exceed the performance of a same-sized baseline model with 30% computation and recover the performance of a larger model trained from scratch with over 50% reduction in computation. Furthermore, our analysis reveals that the introduced techniques help learn the new directions more effectively and alleviate catastrophic forgetting at the same time. We hope our work will guide research into more efficient approaches to growing languages for these MMT models and ultimately maximize the reuse of existing models.

Neural network-based generative language models like ELMo and BERT can work effectively as general purpose sentence encoders in text classification without further fine-tuning. Is it possible to adapt them in a similar way for use as general-purpose decoders? For this to be possible, it would need to be the case that for any target sentence of interest, there is some continuous representation that can be passed to the language model to cause it to reproduce that sentence. We set aside the difficult problem of designing an encoder that can produce such representations and, instead, ask directly whether such representations exist at all. To do this, we introduce a pair of effective, complementary methods for feeding representations into pretrained unconditional language models and a corresponding set of methods to map sentences into and out of this representation space, the reparametrized sentence space. We then investigate the conditions under which a language model can be made to generate a sentence through the identification of a point in such a space and find that it is possible to recover arbitrary sentences nearly perfectly with language models and representations of moderate size without modifying any model parameters.

Artificial Intelligence (AI) advancement is heavily dependent on access to large-scale, high-quality training data. However, in specialized domains such as healthcare, data acquisition faces significant constraints due to privacy regulations, ethical considerations, and limited availability. While synthetic data generation offers a promising solution, conventional approaches typically require substantial real data for training generative models. The emergence of large-scale prompt-based models presents new opportunities for synthetic data generation without direct access to protected data. However, crafting effective prompts for domain-specific data generation remains challenging, and manual prompt engineering proves insufficient for achieving output with sufficient precision and authenticity. We review recent developments in automatic prompt optimization, following PRISMA guidelines. We analyze six peer-reviewed studies published between 2020 and 2024 that focus on automatic data-free prompt optimization methods. Our analysis reveals three approaches: feedback-driven, error-based, and control-theoretic. Although all approaches demonstrate promising capabilities in prompt refinement and adaptation, our findings suggest the need for an integrated framework that combines complementary optimization techniques to enhance synthetic data generation while minimizing manual intervention. We propose future research directions toward developing robust, iterative prompt optimization frameworks capable of improving the quality of synthetic data. This advancement can be particularly crucial for sensitive fields and in specialized domains where data access is restricted, potentially transforming how we approach synthetic data generation for AI development.

We present TransNormerLLM, the first linear attention-based Large Language Model (LLM) that outperforms conventional softmax attention-based models in terms of both accuracy and efficiency. TransNormerLLM evolves from the previous linear attention architecture TransNormer by making advanced modifications that include positional embedding, linear attention acceleration, gating mechanism, tensor normalization, inference acceleration and stabilization. Specifically, we use LRPE together with an exponential decay to avoid attention dilution issues while allowing the model to retain global interactions between tokens. Additionally, we propose Lightning Attention, a cutting-edge technique that accelerates linear attention by more than twice in runtime and reduces memory usage by a remarkable four times. To further enhance the performance of TransNormer, we leverage a gating mechanism to smooth training and a new tensor normalization scheme to accelerate the model, resulting in an impressive acceleration of over 20%. Furthermore, we have developed a robust inference algorithm that ensures numerical stability and consistent inference speed, regardless of the sequence length, showcasing superior efficiency during both training and inference stages. Scalability is at the heart of our model's design, enabling seamless deployment on large-scale clusters and facilitating expansion to even more extensive models, all while maintaining outstanding performance metrics. Rigorous validation of our model design is achieved through a series of comprehensive experiments on our self-collected corpus, boasting a size exceeding 6TB and containing over 2 trillion tokens. To ensure data quality and relevance, we implement a new self-cleaning strategy to filter our collected data. Our pre-trained models will be released to foster community advancements in efficient LLMs.

Fine-tuning large pre-trained language models on downstream tasks has become the de-facto learning paradigm in NLP. However, conventional approaches fine-tune all the parameters of the pre-trained model, which becomes prohibitive as the model size and the number of tasks grow. Recent work has proposed a variety of parameter-efficient transfer learning methods that only fine-tune a small number of (extra) parameters to attain strong performance. While effective, the critical ingredients for success and the connections among the various methods are poorly understood. In this paper, we break down the design of state-of-the-art parameter-efficient transfer learning methods and present a unified framework that establishes connections between them. Specifically, we re-frame them as modifications to specific hidden states in pre-trained models, and define a set of design dimensions along which different methods vary, such as the function to compute the modification and the position to apply the modification. Through comprehensive empirical studies across machine translation, text summarization, language understanding, and text classification benchmarks, we utilize the unified view to identify important design choices in previous methods. Furthermore, our unified framework enables the transfer of design elements across different approaches, and as a result we are able to instantiate new parameter-efficient fine-tuning methods that tune less parameters than previous methods while being more effective, achieving comparable results to fine-tuning all parameters on all four tasks.

Parameter-efficient finetuning (PEFT) has become ubiquitous to adapt foundation models to downstream task requirements while retaining their generalization ability. However, the amount of additionally introduced parameters and compute for successful adaptation and hyperparameter searches can explode quickly, especially when deployed at scale to serve numerous individual requests. To ensure effective, parameter-efficient, and hyperparameter-robust adaptation, we propose the ETHER transformation family, which performs Efficient fineTuning via HypErplane Reflections. By design, ETHER transformations require a minimal number of parameters, are less likely to deteriorate model performance, and exhibit robustness to hyperparameter and learning rate choices. In particular, we introduce ETHER and its relaxation ETHER+, which match or outperform existing PEFT methods with significantly fewer parameters (sim10-100 times lower than LoRA or OFT) across multiple image synthesis and natural language tasks without exhaustive hyperparameter tuning. Finally, we investigate the recent emphasis on Hyperspherical Energy retention for adaptation and raise questions on its practical utility. The code is available at https://github.com/mwbini/ether.

Large Language Models (LLMs) have demonstrated great potential as generalist assistants, showcasing powerful task understanding and problem-solving capabilities. To deploy LLMs as AI assistants, it is crucial that these models exhibit desirable behavioral traits, such as non-toxicity and resilience against jailbreak attempts. Current methods for detoxification or preventing jailbreaking usually involve Supervised Fine-Tuning (SFT) or Reinforcement Learning from Human Feedback (RLHF), which requires finetuning billions of parameters through gradient descent with substantial computation cost. Furthermore, models modified through SFT and RLHF may deviate from the pretrained models, potentially leading to a degradation in foundational LLM capabilities. In this paper, we observe that surprisingly, directly editing a small subset of parameters can effectively modulate specific behaviors of LLMs, such as detoxification and resistance to jailbreaking. Specifically, for a behavior that we aim to avoid, we employ a linear classifier, which we term the behavior probe, to classify binary behavior labels within the hidden state space of the LLM. Using this probe, we introduce an algorithm to identify a critical subset of LLM parameters that significantly influence this targeted behavior. Then we directly edit these selected parameters by shifting them towards the behavior probe. Such a direct parameter editing method necessitates only inference-level computational resources. Experiments demonstrate that in the representative detoxification task, our approach achieves reductions of up to 90.0\% in toxicity on the RealToxicityPrompts dataset and 49.2\% on ToxiGen, while maintaining the LLM's general capabilities in areas such as common sense, question answering, and mathematics. Our code is available at https://github.com/lucywang720/model-surgery.

Humans have the ability to adapt the type of information they use, the procedure they employ, and the amount of time they spend when solving problems. However, most standard neural networks have a fixed function type and computation budget regardless of the sample's nature or difficulty. Adaptivity is a powerful paradigm as it not only imbues practitioners with flexibility pertaining to the downstream usage of these models but can also serve as a powerful inductive bias for solving certain challenging classes of problems. In this work, we introduce a new approach called AdaTape, which allows for dynamic computation in neural networks through adaptive tape tokens. AdaTape utilizes an elastic input sequence by equipping an architecture with a dynamic read-and-write tape. Specifically, we adaptively generate input sequences using tape tokens obtained from a tape bank which can be either trainable or derived from input data. We examine the challenges and requirements to obtain dynamic sequence content and length, and propose the Adaptive Tape Reading (ATR) algorithm to achieve both goals. Through extensive experiments on image recognition tasks, we show that AdaTape can achieve better performance while maintaining the computational cost. To facilitate further research, we have released code at https://github.com/google-research/scenic.

Various algorithms for continual learning (CL) have been designed with the goal of effectively alleviating the trade-off between stability and plasticity during the CL process. To achieve this goal, tuning appropriate hyperparameters for each algorithm is essential. As an evaluation protocol, it has been common practice to train a CL algorithm using diverse hyperparameter values on a CL scenario constructed with a benchmark dataset. Subsequently, the best performance attained with the optimal hyperparameter value serves as the criterion for evaluating the CL algorithm. In this paper, we contend that this evaluation protocol is not only impractical but also incapable of effectively assessing the CL capability of a CL algorithm. Returning to the fundamental principles of model evaluation in machine learning, we propose an evaluation protocol that involves Hyperparameter Tuning and Evaluation phases. Those phases consist of different datasets but share the same CL scenario. In the Hyperparameter Tuning phase, each algorithm is iteratively trained with different hyperparameter values to find the optimal hyperparameter values. Subsequently, in the Evaluation phase, the optimal hyperparameter values is directly applied for training each algorithm, and their performance in the Evaluation phase serves as the criterion for evaluating them. Through experiments on CIFAR-100 and ImageNet-100 based on the proposed protocol in class-incremental learning, we not only observed that the existing evaluation method fail to properly assess the CL capability of each algorithm but also observe that some recently proposed state-of-the-art algorithms, which reported superior performance, actually exhibit inferior performance compared to the previous algorithm.

We introduce marginalization models (MaMs), a new family of generative models for high-dimensional discrete data. They offer scalable and flexible generative modeling with tractable likelihoods by explicitly modeling all induced marginal distributions. Marginalization models enable fast evaluation of arbitrary marginal probabilities with a single forward pass of the neural network, which overcomes a major limitation of methods with exact marginal inference, such as autoregressive models (ARMs). We propose scalable methods for learning the marginals, grounded in the concept of "marginalization self-consistency". Unlike previous methods, MaMs support scalable training of any-order generative models for high-dimensional problems under the setting of energy-based training, where the goal is to match the learned distribution to a given desired probability (specified by an unnormalized (log) probability function such as energy function or reward function). We demonstrate the effectiveness of the proposed model on a variety of discrete data distributions, including binary images, language, physical systems, and molecules, for maximum likelihood and energy-based training settings. MaMs achieve orders of magnitude speedup in evaluating the marginal probabilities on both settings. For energy-based training tasks, MaMs enable any-order generative modeling of high-dimensional problems beyond the capability of previous methods. Code is at https://github.com/PrincetonLIPS/MaM.

The computation necessary for training Transformer-based language models has skyrocketed in recent years. This trend has motivated research on efficient training algorithms designed to improve training, validation, and downstream performance faster than standard training. In this work, we revisit three categories of such algorithms: dynamic architectures (layer stacking, layer dropping), batch selection (selective backprop, RHO loss), and efficient optimizers (Lion, Sophia). When pre-training BERT and T5 with a fixed computation budget using such methods, we find that their training, validation, and downstream gains vanish compared to a baseline with a fully-decayed learning rate. We define an evaluation protocol that enables computation to be done on arbitrary machines by mapping all computation time to a reference machine which we call reference system time. We discuss the limitations of our proposed protocol and release our code to encourage rigorous research in efficient training procedures: https://github.com/JeanKaddour/NoTrainNoGain.

Test-Time Adaptation (TTA) has recently emerged as a promising approach for tackling the robustness challenge under distribution shifts. However, the lack of consistent settings and systematic studies in prior literature hinders thorough assessments of existing methods. To address this issue, we present TTAB, a test-time adaptation benchmark that encompasses ten state-of-the-art algorithms, a diverse array of distribution shifts, and two evaluation protocols. Through extensive experiments, our benchmark reveals three common pitfalls in prior efforts. First, selecting appropriate hyper-parameters, especially for model selection, is exceedingly difficult due to online batch dependency. Second, the effectiveness of TTA varies greatly depending on the quality and properties of the model being adapted. Third, even under optimal algorithmic conditions, none of the existing methods are capable of addressing all common types of distribution shifts. Our findings underscore the need for future research in the field to conduct rigorous evaluations on a broader set of models and shifts, and to re-examine the assumptions behind the empirical success of TTA. Our code is available at https://github.com/lins-lab/ttab.

Recent research in mechanistic interpretability has attempted to reverse-engineer Transformer models by carefully inspecting network weights and activations. However, these approaches require considerable manual effort and still fall short of providing complete, faithful descriptions of the underlying algorithms. In this work, we introduce a procedure for training Transformers that are mechanistically interpretable by design. We build on RASP [Weiss et al., 2021], a programming language that can be compiled into Transformer weights. Instead of compiling human-written programs into Transformers, we design a modified Transformer that can be trained using gradient-based optimization and then automatically converted into a discrete, human-readable program. We refer to these models as Transformer Programs. To validate our approach, we learn Transformer Programs for a variety of problems, including an in-context learning task, a suite of algorithmic problems (e.g. sorting, recognizing Dyck languages), and NLP tasks including named entity recognition and text classification. The Transformer Programs can automatically find reasonable solutions, performing on par with standard Transformers of comparable size; and, more importantly, they are easy to interpret. To demonstrate these advantages, we convert Transformers into Python programs and use off-the-shelf code analysis tools to debug model errors and identify the "circuits" used to solve different sub-problems. We hope that Transformer Programs open a new path toward the goal of intrinsically interpretable machine learning.

Multi-task learning (MTL) aims to empower a model to tackle multiple tasks simultaneously. A recent development known as task arithmetic has revealed that several models, each fine-tuned for distinct tasks, can be directly merged into a single model to execute MTL without necessitating a retraining process using the initial training data. Nevertheless, this direct addition of models often leads to a significant deterioration in the overall performance of the merged model. This decline occurs due to potential conflicts and intricate correlations among the multiple tasks. Consequently, the challenge emerges of how to merge pre-trained models more effectively without using their original training data. This paper introduces an innovative technique called Adaptive Model Merging (AdaMerging). This approach aims to autonomously learn the coefficients for model merging, either in a task-wise or layer-wise manner, without relying on the original training data. Specifically, our AdaMerging method operates as an automatic, unsupervised task arithmetic scheme. It leverages entropy minimization on unlabeled test samples from the multi-task setup as a surrogate objective function to iteratively refine the merging coefficients of the multiple models. Our experimental findings across eight tasks demonstrate the efficacy of the AdaMerging scheme we put forth. Compared to the current state-of-the-art task arithmetic merging scheme, AdaMerging showcases a remarkable 11\% improvement in performance. Notably, AdaMerging also exhibits superior generalization capabilities when applied to unseen downstream tasks. Furthermore, it displays a significantly enhanced robustness to data distribution shifts that may occur during the testing phase.

Large Language Models (LLMs) are typically trained to predict in the forward direction of time. However, recent works have shown that prompting these models to look back and critique their own generations can produce useful feedback. Motivated by this, we explore the question of whether LLMs can be empowered to think (predict and score) backwards to provide unsupervised feedback that complements forward LLMs. Towards this, we introduce Time Reversed Language Models (TRLMs), which can score and generate queries when conditioned on responses, effectively functioning in the reverse direction of time. Further, to effectively infer in the response to query direction, we pre-train and fine-tune a language model (TRLM-Ba) in the reverse token order from scratch. We show empirically (and theoretically in a stylized setting) that time-reversed models can indeed complement forward model predictions when used to score the query given response for re-ranking multiple forward generations. We obtain up to 5\% improvement on the widely used AlpacaEval Leaderboard over the competent baseline of best-of-N re-ranking using self log-perplexity scores. We further show that TRLM scoring outperforms conventional forward scoring of response given query, resulting in significant gains in applications such as citation generation and passage retrieval. We next leverage the generative ability of TRLM to augment or provide unsupervised feedback to input safety filters of LLMs, demonstrating a drastic reduction in false negative rate with negligible impact on false positive rates against several attacks published on the popular JailbreakBench leaderboard.

The Maximal Update Parametrization (muP) aims to make the optimal hyperparameters (HPs) of a model independent of its size, allowing them to be swept using a cheap proxy model rather than the full-size target model. We present a new scheme, u-muP, which improves upon muP by combining it with Unit Scaling, a method for designing models that makes them easy to train in low-precision. The two techniques have a natural affinity: muP ensures that the scale of activations is independent of model size, and Unit Scaling ensures that activations, weights and gradients begin training with a scale of one. This synthesis opens the door to a simpler scheme, whose default values are near-optimal. This in turn facilitates a more efficient sweeping strategy, with u-muP models reaching a lower loss than comparable muP models and working out-of-the-box in FP8.

The growth of the Machine-Learning-As-A-Service (MLaaS) market has highlighted clients' data privacy and security issues. Private inference (PI) techniques using cryptographic primitives offer a solution but often have high computation and communication costs, particularly with non-linear operators like ReLU. Many attempts to reduce ReLU operations exist, but they may need heuristic threshold selection or cause substantial accuracy loss. This work introduces AutoReP, a gradient-based approach to lessen non-linear operators and alleviate these issues. It automates the selection of ReLU and polynomial functions to speed up PI applications and introduces distribution-aware polynomial approximation (DaPa) to maintain model expressivity while accurately approximating ReLUs. Our experimental results demonstrate significant accuracy improvements of 6.12% (94.31%, 12.9K ReLU budget, CIFAR-10), 8.39% (74.92%, 12.9K ReLU budget, CIFAR-100), and 9.45% (63.69%, 55K ReLU budget, Tiny-ImageNet) over current state-of-the-art methods, e.g., SNL. Morever, AutoReP is applied to EfficientNet-B2 on ImageNet dataset, and achieved 75.55% accuracy with 176.1 times ReLU budget reduction.

This work studies discrete diffusion probabilistic models with applications to natural language generation. We derive an alternative yet equivalent formulation of the sampling from discrete diffusion processes and leverage this insight to develop a family of reparameterized discrete diffusion models. The derived generic framework is highly flexible, offers a fresh perspective of the generation process in discrete diffusion models, and features more effective training and decoding techniques. We conduct extensive experiments to evaluate the text generation capability of our model, demonstrating significant improvements over existing diffusion models.

This thesis provides methods and analysis of models which make progress on this goal. The techniques outlined are task agnostic, and should provide benefit when used with nearly any transformer LM. We introduce two new finetuning methods which add new capabilities to the models they are used on. The first adds a recurrence mechanism, which removes the fixed-window sized constraint and improves the efficiency of a transformer decoder. The second allows masked language models (MLMs) to be used for initialization of both the encoder and decoder of a non-autoregressive sequence-to-sequence transformer, opening up generative applications of models which were previously only used for natural language understanding tasks. We also introduce two new techniques for improving the quality of predictions of any transformer decoder without additional finetuning. One, hidden state optimization, can be applied to any transformer decoder to improve the quality of predictions at inference time, especially for few-shot classification. The other, conditional beam search, allows practitioners to search for natural language generation (NLG) model outputs with high likelihood while conditioning on the event that the output is not degenerate (e.g. empty, repetitive, etc.). Finally, we provide theoretical and empirical insights on the divergence of model-likelihood and output quality which has widely been observed in prior work. These insights apply to any model which represents a distribution over text, and apply to language models which are not transformers or even autoregressive. We argue that the NLP community has, to some extent, misunderstood the implications of these findings, and encourage a point of view which has more nuance.

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.

Nowadays transformer-based Large Language Models (LLM) for code generation tasks usually apply sampling and filtering pipelines. Due to the sparse reward problem in code generation tasks caused by one-token incorrectness, transformer-based models will sample redundant programs till they find a correct one, leading to low efficiency. To overcome the challenge, we incorporate Experience Replay (ER) in the fine-tuning phase, where codes and programs produced are stored and will be replayed to give the LLM agent a chance to learn from past experiences. Based on the spirit of ER, we introduce a novel approach called BTP pipeline which consists of three phases: beam search sampling, testing phase, and prioritized experience replay phase. The approach makes use of failed programs collected by code models and replays programs with high Possibility and Pass-rate Prioritized value (P2Value) from the replay buffer to improve efficiency. P2Value comprehensively considers the possibility of transformers' output and pass rate and can make use of the redundant resources caused by the problem that most programs collected by LLMs fail to pass any tests. We empirically apply our approach in several LLMs, demonstrating that it enhances their performance in code generation tasks and surpasses existing baselines.

Various parameter-efficient fine-tuning (PEFT) techniques have been proposed to enable computationally efficient fine-tuning while maintaining model performance. However, existing PEFT methods are still limited by the growing number of trainable parameters with the rapid deployment of Large Language Models (LLMs). To address this challenge, we present LoRETTA, an ultra-parameter-efficient framework that significantly reduces trainable parameters through tensor-train decomposition. Specifically, we propose two methods, named {LoRETTA}_{adp} and {LoRETTA}_{rep}. The former employs tensorized adapters, offering a high-performance yet lightweight approach for the fine-tuning of LLMs. The latter emphasizes fine-tuning via weight parameterization with a set of small tensor factors. LoRETTA achieves comparable or better performance than most widely used PEFT methods with up to 100times fewer parameters on the LLaMA-2-7B models. Furthermore, empirical results demonstrate that the proposed method effectively improves training efficiency, enjoys better multi-task learning performance, and enhances the anti-overfitting capability. Plug-and-play codes built upon the Huggingface framework and PEFT library will be released.

Machine learning models are increasingly being scaled in both sequence length and model dimension to reach longer contexts and better performance. However, existing architectures such as Transformers scale quadratically along both these axes. We ask: are there performant architectures that can scale sub-quadratically along sequence length and model dimension? We introduce Monarch Mixer (M2), a new architecture that uses the same sub-quadratic primitive along both sequence length and model dimension: Monarch matrices, a simple class of expressive structured matrices that captures many linear transforms, achieves high hardware efficiency on GPUs, and scales sub-quadratically. As a proof of concept, we explore the performance of M2 in three domains: non-causal BERT-style language modeling, ViT-style image classification, and causal GPT-style language modeling. For non-causal BERT-style modeling, M2 matches BERT-base and BERT-large in downstream GLUE quality with up to 27% fewer parameters, and achieves up to 9.1times higher throughput at sequence length 4K. On ImageNet, M2 outperforms ViT-b by 1% in accuracy, with only half the parameters. Causal GPT-style models introduce a technical challenge: enforcing causality via masking introduces a quadratic bottleneck. To alleviate this bottleneck, we develop a novel theoretical view of Monarch matrices based on multivariate polynomial evaluation and interpolation, which lets us parameterize M2 to be causal while remaining sub-quadratic. Using this parameterization, M2 matches GPT-style Transformers at 360M parameters in pretraining perplexity on The PILE--showing for the first time that it may be possible to match Transformer quality without attention or MLPs.

We introduce TabRepo, a new dataset of tabular model evaluations and predictions. TabRepo contains the predictions and metrics of 1310 models evaluated on 200 classification and regression datasets. We illustrate the benefit of our dataset in multiple ways. First, we show that it allows to perform analysis such as comparing Hyperparameter Optimization against current AutoML systems while also considering ensembling at marginal cost by using precomputed model predictions. Second, we show that our dataset can be readily leveraged to perform transfer-learning. In particular, we show that applying standard transfer-learning techniques allows to outperform current state-of-the-art tabular systems in accuracy, runtime and latency.

We present MIPS, a novel method for program synthesis based on automated mechanistic interpretability of neural networks trained to perform the desired task, auto-distilling the learned algorithm into Python code. We test MIPS on a benchmark of 62 algorithmic tasks that can be learned by an RNN and find it highly complementary to GPT-4: MIPS solves 32 of them, including 13 that are not solved by GPT-4 (which also solves 30). MIPS uses an integer autoencoder to convert the RNN into a finite state machine, then applies Boolean or integer symbolic regression to capture the learned algorithm. As opposed to large language models, this program synthesis technique makes no use of (and is therefore not limited by) human training data such as algorithms and code from GitHub. We discuss opportunities and challenges for scaling up this approach to make machine-learned models more interpretable and trustworthy.

Large pre-trained models for zero/few-shot learning excel in language and vision domains but encounter challenges in multivariate time series (TS) due to the diverse nature and scarcity of publicly available pre-training data. Consequently, there has been a recent surge in utilizing pre-trained large language models (LLMs) with token adaptations for TS forecasting. These approaches employ cross-domain transfer learning and surprisingly yield impressive results. However, these models are typically very slow and large (~billion parameters) and do not consider cross-channel correlations. To address this, we present Tiny Time Mixers (TTM), a significantly small model based on the lightweight TSMixer architecture. TTM marks the first success in developing fast and tiny general pre-trained models (<1M parameters), exclusively trained on public TS datasets, with effective transfer learning capabilities for forecasting. To tackle the complexity of pre-training on multiple datasets with varied temporal resolutions, we introduce several novel enhancements such as adaptive patching, dataset augmentation via downsampling, and resolution prefix tuning. Moreover, we employ a multi-level modeling strategy to effectively model channel correlations and infuse exogenous signals during fine-tuning, a crucial capability lacking in existing benchmarks. TTM shows significant accuracy gains (12-38\%) over popular benchmarks in few/zero-shot forecasting. It also drastically reduces the compute needs as compared to LLM-TS methods, with a 14X cut in learnable parameters, 106X less total parameters, and substantial reductions in fine-tuning (65X) and inference time (54X). In fact, TTM's zero-shot often surpasses the few-shot results in many popular benchmarks, highlighting the efficacy of our approach. Code and pre-trained models will be open-sourced.

A central goal of sequence modeling is designing a single principled model that can address sequence data across a range of modalities and tasks, particularly on long-range dependencies. Although conventional models including RNNs, CNNs, and Transformers have specialized variants for capturing long dependencies, they still struggle to scale to very long sequences of 10000 or more steps. A promising recent approach proposed modeling sequences by simulating the fundamental state space model (SSM) \( x'(t) = Ax(t) + Bu(t), y(t) = Cx(t) + Du(t) \), and showed that for appropriate choices of the state matrix \( A \), this system could handle long-range dependencies mathematically and empirically. However, this method has prohibitive computation and memory requirements, rendering it infeasible as a general sequence modeling solution. We propose the Structured State Space sequence model (S4) based on a new parameterization for the SSM, and show that it can be computed much more efficiently than prior approaches while preserving their theoretical strengths. Our technique involves conditioning \( A \) with a low-rank correction, allowing it to be diagonalized stably and reducing the SSM to the well-studied computation of a Cauchy kernel. S4 achieves strong empirical results across a diverse range of established benchmarks, including (i) 91\% accuracy on sequential CIFAR-10 with no data augmentation or auxiliary losses, on par with a larger 2-D ResNet, (ii) substantially closing the gap to Transformers on image and language modeling tasks, while performing generation 60times faster (iii) SoTA on every task from the Long Range Arena benchmark, including solving the challenging Path-X task of length 16k that all prior work fails on, while being as efficient as all competitors.

Language model alignment has become a critical step in training modern generative language models. The goal of alignment is to finetune a reference model such that the win rate of a sample from the aligned model over a sample from the reference model is high, subject to a KL divergence constraint. Today, we are increasingly using inference-time algorithms (e.g., Best-of-N, controlled decoding, tree search) to decode from language models rather than standard sampling. However, the alignment objective does not capture such inference-time decoding procedures. We show that the existing alignment framework is sub-optimal in view of such inference-time methods. We then modify the alignment objective and propose a framework for inference-aware alignment (IAPO). We prove that for any inference-time decoding algorithm, the optimal solution that optimizes the inference-time win rate of the aligned policy against the reference policy is the solution to the typical RLHF problem with a transformation of the reward. This motivates us to provide the KL-regularized calibrate-and-transform RL (CTRL) algorithm to solve this problem, which involves a reward calibration step and a KL-regularized reward maximization step with a transformation of the calibrated reward. We particularize our study to two important inference-time strategies: best-of-N sampling and best-of-N jailbreaking, where N responses are sampled from the model and the one with the highest or lowest reward is selected. We propose specific transformations for these strategies and demonstrate that our framework offers significant improvements over existing state-of-the-art methods for language model alignment. Empirically, we outperform baselines that are designed without taking inference-time decoding into consideration by 8-12% and 4-9% on inference-time win rates over the Anthropic helpfulness and harmlessness dialog benchmark datasets.

Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to directly predict the causal structure from observational or interventional data. This allows our inference model to acquire domain-specific inductive biases for causal discovery solely from data generated by a simulator, bypassing both the hand-engineering of suitable score functions and the search over graphs. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici.

Many information retrieval tasks require large labeled datasets for fine-tuning. However, such datasets are often unavailable, and their utility for real-world applications can diminish quickly due to domain shifts. To address this challenge, we develop and motivate a method for using large language models (LLMs) to generate large numbers of synthetic queries cheaply. The method begins by generating a small number of synthetic queries using an expensive LLM. After that, a much less expensive one is used to create large numbers of synthetic queries, which are used to fine-tune a family of reranker models. These rerankers are then distilled into a single efficient retriever for use in the target domain. We show that this technique boosts zero-shot accuracy in long-tail domains, even where only 2K synthetic queries are used for fine-tuning, and that it achieves substantially lower latency than standard reranking methods. We make our end-to-end approach, including our synthetic datasets and replication code, publicly available on Github: https://github.com/primeqa/primeqa.

In this paper, we identify and characterize the emerging area of representation engineering (RepE), an approach to enhancing the transparency of AI systems that draws on insights from cognitive neuroscience. RepE places population-level representations, rather than neurons or circuits, at the center of analysis, equipping us with novel methods for monitoring and manipulating high-level cognitive phenomena in deep neural networks (DNNs). We provide baselines and an initial analysis of RepE techniques, showing that they offer simple yet effective solutions for improving our understanding and control of large language models. We showcase how these methods can provide traction on a wide range of safety-relevant problems, including honesty, harmlessness, power-seeking, and more, demonstrating the promise of top-down transparency research. We hope that this work catalyzes further exploration of RepE and fosters advancements in the transparency and safety of AI systems.

Today's generative models are capable of synthesizing high-fidelity images, but each model specializes on a specific target domain. This raises the need for model merging: combining two or more pretrained generative models into a single unified one. In this work we tackle the problem of model merging, given two constraints that often come up in the real world: (1) no access to the original training data, and (2) without increasing the size of the neural network. To the best of our knowledge, model merging under these constraints has not been studied thus far. We propose a novel, two-stage solution. In the first stage, we transform the weights of all the models to the same parameter space by a technique we term model rooting. In the second stage, we merge the rooted models by averaging their weights and fine-tuning them for each specific domain, using only data generated by the original trained models. We demonstrate that our approach is superior to baseline methods and to existing transfer learning techniques, and investigate several applications.

Language models (LMs) now excel at many tasks such as few-shot learning, question answering, reasoning, and dialog. However, they sometimes generate unsupported or misleading content. A user cannot easily determine whether their outputs are trustworthy or not, because most LMs do not have any built-in mechanism for attribution to external evidence. To enable attribution while still preserving all the powerful advantages of recent generation models, we propose RARR (Retrofit Attribution using Research and Revision), a system that 1) automatically finds attribution for the output of any text generation model and 2) post-edits the output to fix unsupported content while preserving the original output as much as possible. When applied to the output of several state-of-the-art LMs on a diverse set of generation tasks, we find that RARR significantly improves attribution while otherwise preserving the original input to a much greater degree than previously explored edit models. Furthermore, the implementation of RARR requires only a handful of training examples, a large language model, and standard web search.

Finetuning Pretrained Language Models (PLM) for IR has been de facto the standard practice since their breakthrough effectiveness few years ago. But, is this approach well understood? In this paper, we study the impact of the pretraining collection on the final IR effectiveness. In particular, we challenge the current hypothesis that PLM shall be trained on a large enough generic collection and we show that pretraining from scratch on the collection of interest is surprisingly competitive with the current approach. We benchmark first-stage ranking rankers and cross-encoders for reranking on the task of general passage retrieval on MSMARCO, Mr-Tydi for Arabic, Japanese and Russian, and TripClick for specific domain. Contrary to popular belief, we show that, for finetuning first-stage rankers, models pretrained solely on their collection have equivalent or better effectiveness compared to more general models. However, there is a slight effectiveness drop for rerankers pretrained only on the target collection. Overall, our study sheds a new light on the role of the pretraining collection and should make our community ponder on building specialized models by pretraining from scratch. Last but not least, doing so could enable better control of efficiency, data bias and replicability, which are key research questions for the IR community.

Inspired by the principle of deliberate practice in human learning, we propose Deliberate Practice for Synthetic Data Generation (DP), a novel framework that improves sample efficiency through dynamic synthetic data generation. Prior work has shown that scaling synthetic data is inherently challenging, as naively adding new data leads to diminishing returns. To address this, pruning has been identified as a key mechanism for improving scaling, enabling models to focus on the most informative synthetic samples. Rather than generating a large dataset and pruning it afterward, DP efficiently approximates the direct generation of informative samples. We theoretically show how training on challenging, informative examples improves scaling laws and empirically validate that DP achieves better scaling performance with significantly fewer training samples and iterations. On ImageNet-100, DP generates 3.4x fewer samples and requires six times fewer iterations, while on ImageNet-1k, it generates 8x fewer samples with a 30 percent reduction in iterations, all while achieving superior performance compared to prior work.

Symbolic regression (SR) is a powerful technique for discovering the underlying mathematical expressions from observed data. Inspired by the success of deep learning, recent efforts have focused on two categories for SR methods. One is using a neural network or genetic programming to search the expression tree directly. Although this has shown promising results, the large search space poses difficulties in learning constant factors and processing high-dimensional problems. Another approach is leveraging a transformer-based model training on synthetic data and offers advantages in inference speed. However, this method is limited to fixed small numbers of dimensions and may encounter inference problems when given data is out-of-distribution compared to the synthetic data. In this work, we propose DySymNet, a novel neural-guided Dynamic Symbolic Network for SR. Instead of searching for expressions within a large search space, we explore DySymNet with various structures and optimize them to identify expressions that better-fitting the data. With a topology structure like neural networks, DySymNet not only tackles the challenge of high-dimensional problems but also proves effective in optimizing constants. Based on extensive numerical experiments using low-dimensional public standard benchmarks and the well-known SRBench with more variables, our method achieves state-of-the-art performance in terms of fitting accuracy and robustness to noise.

Recently, efficient fine-tuning of large-scale pre-trained models has attracted increasing research interests, where linear probing (LP) as a fundamental module is involved in exploiting the final representations for task-dependent classification. However, most of the existing methods focus on how to effectively introduce a few of learnable parameters, and little work pays attention to the commonly used LP module. In this paper, we propose a novel Moment Probing (MP) method to further explore the potential of LP. Distinguished from LP which builds a linear classification head based on the mean of final features (e.g., word tokens for ViT) or classification tokens, our MP performs a linear classifier on feature distribution, which provides the stronger representation ability by exploiting richer statistical information inherent in features. Specifically, we represent feature distribution by its characteristic function, which is efficiently approximated by using first- and second-order moments of features. Furthermore, we propose a multi-head convolutional cross-covariance (MHC^3) to compute second-order moments in an efficient and effective manner. By considering that MP could affect feature learning, we introduce a partially shared module to learn two recalibrating parameters (PSRP) for backbones based on MP, namely MP_{+}. Extensive experiments on ten benchmarks using various models show that our MP significantly outperforms LP and is competitive with counterparts at less training cost, while our MP_{+} achieves state-of-the-art performance.

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.

Fine-tuning large pre-trained models on downstream tasks has been adopted in a variety of domains recently. However, it is costly to update the entire parameter set of large pre-trained models. Although recently proposed parameter-efficient transfer learning (PETL) techniques allow updating a small subset of parameters (e.g. only using 2% of parameters) inside a pre-trained backbone network for a new task, they only reduce the training memory requirement by up to 30%. This is because the gradient computation for the trainable parameters still requires backpropagation through the large pre-trained backbone model. To address this, we propose Ladder Side-Tuning (LST), a new PETL technique that can reduce training memory requirements by more substantial amounts. Unlike existing parameter-efficient methods that insert additional parameters inside backbone networks, we train a ladder side network, a small and separate network that takes intermediate activations as input via shortcut connections (called ladders) from backbone networks and makes predictions. LST has significantly lower memory requirements than previous methods, because it does not require backpropagation through the backbone network, but instead only through the side network and ladder connections. We evaluate our method with various models (T5 and CLIP-T5) on both NLP (GLUE) and vision-and-language (VQA, GQA, NLVR2 , MSCOCO) tasks. LST saves 69% of the memory costs to fine-tune the whole network, while other methods only save 26% of that in similar parameter usages (hence, 2.7x more memory savings). Moreover, LST achieves higher accuracy than Adapter and LoRA in a low-memory regime. To further show the advantage of this better memory efficiency, we also apply LST to larger T5 models, attaining better GLUE performance than full fine-tuning and other PETL methods. The accuracy-efficiency trade-off also holds on VL tasks.

Test-time adaptation (TTA) seeks to tackle potential distribution shifts between training and testing data by adapting a given model w.r.t. any testing sample. This task is particularly important for deep models when the test environment changes frequently. Although some recent attempts have been made to handle this task, we still face two practical challenges: 1) existing methods have to perform backward computation for each test sample, resulting in unbearable prediction cost to many applications; 2) while existing TTA solutions can significantly improve the test performance on out-of-distribution data, they often suffer from severe performance degradation on in-distribution data after TTA (known as catastrophic forgetting). In this paper, we point out that not all the test samples contribute equally to model adaptation, and high-entropy ones may lead to noisy gradients that could disrupt the model. Motivated by this, we propose an active sample selection criterion to identify reliable and non-redundant samples, on which the model is updated to minimize the entropy loss for test-time adaptation. Furthermore, to alleviate the forgetting issue, we introduce a Fisher regularizer to constrain important model parameters from drastic changes, where the Fisher importance is estimated from test samples with generated pseudo labels. Extensive experiments on CIFAR-10-C, ImageNet-C, and ImageNet-R verify the effectiveness of our proposed method.

Text-to-image models encounter safety issues, including concerns related to copyright and Not-Safe-For-Work (NSFW) content. Despite several methods have been proposed for erasing inappropriate concepts from diffusion models, they often exhibit incomplete erasure, consume a lot of computing resources, and inadvertently damage generation ability. In this work, we introduce Reliable and Efficient Concept Erasure (RECE), a novel approach that modifies the model in 3 seconds without necessitating additional fine-tuning. Specifically, RECE efficiently leverages a closed-form solution to derive new target embeddings, which are capable of regenerating erased concepts within the unlearned model. To mitigate inappropriate content potentially represented by derived embeddings, RECE further aligns them with harmless concepts in cross-attention layers. The derivation and erasure of new representation embeddings are conducted iteratively to achieve a thorough erasure of inappropriate concepts. Besides, to preserve the model's generation ability, RECE introduces an additional regularization term during the derivation process, resulting in minimizing the impact on unrelated concepts during the erasure process. All the processes above are in closed-form, guaranteeing extremely efficient erasure in only 3 seconds. Benchmarking against previous approaches, our method achieves more efficient and thorough erasure with minor damage to original generation ability and demonstrates enhanced robustness against red-teaming tools. Code is available at https://github.com/CharlesGong12/RECE.

With the proliferation of domain-specific models, model merging has emerged as a set of techniques that combine the capabilities of multiple models into one that can multitask without the cost of additional training. In this paper, we propose a new model merging technique, Drop and rEscaLe via sampLing with mAgnitude (DELLA-Merging), that employs a novel pruning technique, MAGPRUNE, which shows significant advantages over DARE and TIES. MAGPRUNE first ranks the parameters in order of their magnitude and assigns higher dropout probabilities (p) to parameters with lower ranks corresponding to lower magnitudes. To approximate the original embeddings, MAGPRUNE employs a rescaling operation on the parameters that survive the random dropping by 1/(1 - p). On three different expert models considered for merging (LM, Math, Code) and corresponding benchmark datasets (AlpacaEval, GSM8K, MBPP), DELLA shows an average improvement of 2.4 points over baseline methods employing delta parameter pruning (an improvement of 3.6 points over TIES, 1.2 points over DARE), and 11.1 points over the no-pruning baseline (TA). We release the source code at: https://github.com/declare-lab/della.

Mechanistic interpretability seeks to understand the internal mechanisms of machine learning models, where localization -- identifying the important model components -- is a key step. Activation patching, also known as causal tracing or interchange intervention, is a standard technique for this task (Vig et al., 2020), but the literature contains many variants with little consensus on the choice of hyperparameters or methodology. In this work, we systematically examine the impact of methodological details in activation patching, including evaluation metrics and corruption methods. In several settings of localization and circuit discovery in language models, we find that varying these hyperparameters could lead to disparate interpretability results. Backed by empirical observations, we give conceptual arguments for why certain metrics or methods may be preferred. Finally, we provide recommendations for the best practices of activation patching going forwards.

Program synthesis strives to generate a computer program as a solution to a given problem specification, expressed with input-output examples or natural language descriptions. The prevalence of large language models advances the state-of-the-art for program synthesis, though limited training resources and data impede open access to such models. To democratize this, we train and release a family of large language models up to 16.1B parameters, called CODEGEN, on natural language and programming language data, and open source the training library JAXFORMER. We show the utility of the trained model by demonstrating that it is competitive with the previous state-of-the-art on zero-shot Python code generation on HumanEval. We further investigate the multi-step paradigm for program synthesis, where a single program is factorized into multiple prompts specifying subproblems. To this end, we construct an open benchmark, Multi-Turn Programming Benchmark (MTPB), consisting of 115 diverse problem sets that are factorized into multi-turn prompts. Our analysis on MTPB shows that the same intent provided to CODEGEN in multi-turn fashion significantly improves program synthesis over that provided as a single turn. We make the training library JAXFORMER and model checkpoints available as open source contribution: https://github.com/salesforce/CodeGen.

We show how to "compile" human-readable programs into standard decoder-only transformer models. Our compiler, Tracr, generates models with known structure. This structure can be used to design experiments. For example, we use it to study "superposition" in transformers that execute multi-step algorithms. Additionally, the known structure of Tracr-compiled models can serve as ground-truth for evaluating interpretability methods. Commonly, because the "programs" learned by transformers are unknown it is unclear whether an interpretation succeeded. We demonstrate our approach by implementing and examining programs including computing token frequencies, sorting, and parenthesis checking. We provide an open-source implementation of Tracr at https://github.com/google-deepmind/tracr.

As language models have scaled both their number of parameters and pretraining dataset sizes, the computational cost for pretraining has become intractable except for the most well-resourced teams. This increasing cost makes it ever more important to be able to reuse a model after it has completed pretraining; allowing for a model's abilities to further improve without needing to train from scratch. In this work, we detail a set of guidelines that cover how to design efficacious data distributions and learning rate schedules for continued pretraining of language models. When applying these findings within a continued pretraining run on top of a well-trained 15B parameter model, we show an improvement of 9\% in average model accuracy compared to the baseline of continued training on the pretraining set. The resulting recipe provides a practical starting point with which to begin developing language models through reuse rather than retraining.

The Languini Kitchen serves as both a research collective and codebase designed to empower researchers with limited computational resources to contribute meaningfully to the field of language modelling. We introduce an experimental protocol that enables model comparisons based on equivalent compute, measured in accelerator hours. The number of tokens on which a model is trained is defined by the model's throughput and the chosen compute class. Notably, this approach avoids constraints on critical hyperparameters which affect total parameters or floating-point operations. For evaluation, we pre-process an existing large, diverse, and high-quality dataset of books that surpasses existing academic benchmarks in quality, diversity, and document length. On it, we compare methods based on their empirical scaling trends which are estimated through experiments at various levels of compute. This work also provides two baseline models: a feed-forward model derived from the GPT-2 architecture and a recurrent model in the form of a novel LSTM with ten-fold throughput. While the GPT baseline achieves better perplexity throughout all our levels of compute, our LSTM baseline exhibits a predictable and more favourable scaling law. This is due to the improved throughput and the need for fewer training tokens to achieve the same decrease in test perplexity. Extrapolating the scaling laws leads of both models results in an intersection at roughly 50,000 accelerator hours. We hope this work can serve as the foundation for meaningful and reproducible language modelling research.

In the realm of time series forecasting (TSF), it is imperative for models to adeptly discern and distill hidden patterns within historical time series data to forecast future states. Transformer-based models exhibit formidable efficacy in TSF, primarily attributed to their advantage in apprehending these patterns. However, the quadratic complexity of the Transformer leads to low computational efficiency and high costs, which somewhat hinders the deployment of the TSF model in real-world scenarios. Recently, Mamba, a selective state space model, has gained traction due to its ability to process dependencies in sequences while maintaining near-linear complexity. For TSF tasks, these characteristics enable Mamba to comprehend hidden patterns as the Transformer and reduce computational overhead compared to the Transformer. Therefore, we propose a Mamba-based model named Simple-Mamba (S-Mamba) for TSF. Specifically, we tokenize the time points of each variate autonomously via a linear layer. A bidirectional Mamba layer is utilized to extract inter-variate correlations and a Feed-Forward Network is set to learn temporal dependencies. Finally, the generation of forecast outcomes through a linear mapping layer. Experiments on thirteen public datasets prove that S-Mamba maintains low computational overhead and achieves leading performance. Furthermore, we conduct extensive experiments to explore Mamba's potential in TSF tasks. Our code is available at https://github.com/wzhwzhwzh0921/S-D-Mamba.

Unsupervised domain translation (UDT) aims to find functions that convert samples from one domain (e.g., sketches) to another domain (e.g., photos) without changing the high-level semantic meaning (also referred to as ``content''). The translation functions are often sought by probability distribution matching of the transformed source domain and target domain. CycleGAN stands as arguably the most representative approach among this line of work. However, it was noticed in the literature that CycleGAN and variants could fail to identify the desired translation functions and produce content-misaligned translations. This limitation arises due to the presence of multiple translation functions -- referred to as ``measure-preserving automorphism" (MPA) -- in the solution space of the learning criteria. Despite awareness of such identifiability issues, solutions have remained elusive. This study delves into the core identifiability inquiry and introduces an MPA elimination theory. Our analysis shows that MPA is unlikely to exist, if multiple pairs of diverse cross-domain conditional distributions are matched by the learning function. Our theory leads to a UDT learner using distribution matching over auxiliary variable-induced subsets of the domains -- other than over the entire data domains as in the classical approaches. The proposed framework is the first to rigorously establish translation identifiability under reasonable UDT settings, to our best knowledge. Experiments corroborate with our theoretical claims.

Machine Learning methods can learn how to reconstruct Magnetic Resonance Images and thereby accelerate acquisition, which is of paramount importance to the clinical workflow. Physics-informed networks incorporate the forward model of accelerated MRI reconstruction in the learning process. With increasing network complexity, robustness is not ensured when reconstructing data unseen during training. We aim to embed data consistency (DC) in deep networks while balancing the degree of network complexity. While doing so, we will assess whether either explicit or implicit enforcement of DC in varying network architectures is preferred to optimize performance. We propose a scheme called Cascades of Independently Recurrent Inference Machines (CIRIM) to assess DC through unrolled optimization. Herein we assess DC both implicitly by gradient descent and explicitly by a designed term. Extensive comparison of the CIRIM to CS as well as to other methods is performed: the E2EVN, CascadeNet, KIKINet, LPDNet, RIM, IRIM, and UNet. Models were trained and evaluated on T1-weighted and FLAIR contrast brain data, and T2-weighted knee data. Both 1D and 2D undersampling patterns were evaluated. Robustness was tested by reconstructing 7.5x prospectively undersampled 3D FLAIR MRI data of Multiple Sclerosis (MS) patients with white matter lesions. The CIRIM performed best when implicitly enforcing DC, while the E2EVN required an explicit DC formulation. In reconstructing MS patient data, prospectively acquired with a sampling pattern unseen during model training, the CIRIM maintained lesion contrast while efficiently denoising the images. The CIRIM showed highly promising generalization capabilities maintaining a very fair trade-off between reconstructed image quality and fast reconstruction times, which is crucial in the clinical workflow.

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.

Test-time adaptation (TTA) aims to enhance the performance of source-domain pretrained models when tested on unknown shifted target domains. Traditional TTA methods primarily adapt model weights based on target data streams, making model performance sensitive to the amount and order of target data. Recently, diffusion-driven TTA methods have demonstrated strong performance by using an unconditional diffusion model, which is also trained on the source domain to transform target data into synthetic data as a source domain projection. This allows the source model to make predictions without weight adaptation. In this paper, we argue that the domains of the source model and the synthetic data in diffusion-driven TTA methods are not aligned. To adapt the source model to the synthetic domain of the unconditional diffusion model, we introduce a Synthetic-Domain Alignment (SDA) framework to fine-tune the source model with synthetic data. Specifically, we first employ a conditional diffusion model to generate labeled samples, creating a synthetic dataset. Subsequently, we use the aforementioned unconditional diffusion model to add noise to and denoise each sample before fine-tuning. This process mitigates the potential domain gap between the conditional and unconditional models. Extensive experiments across various models and benchmarks demonstrate that SDA achieves superior domain alignment and consistently outperforms existing diffusion-driven TTA methods. Our code is available at https://github.com/SHI-Labs/Diffusion-Driven-Test-Time-Adaptation-via-Synthetic-Domain-Alignment.

Generative Flow Networks or GFlowNets are related to Monte-Carlo Markov chain methods (as they sample from a distribution specified by an energy function), reinforcement learning (as they learn a policy to sample composed objects through a sequence of steps), generative models (as they learn to represent and sample from a distribution) and amortized variational methods (as they can be used to learn to approximate and sample from an otherwise intractable posterior, given a prior and a likelihood). They are trained to generate an object x through a sequence of steps with probability proportional to some reward function R(x) (or exp(-E(x)) with E(x) denoting the energy function), given at the end of the generative trajectory. Like for other RL settings where the reward is only given at the end, the efficiency of training and credit assignment may suffer when those trajectories are longer. With previous GFlowNet work, no learning was possible from incomplete trajectories (lacking a terminal state and the computation of the associated reward). In this paper, we consider the case where the energy function can be applied not just to terminal states but also to intermediate states. This is for example achieved when the energy function is additive, with terms available along the trajectory. We show how to reparameterize the GFlowNet state flow function to take advantage of the partial reward already accrued at each state. This enables a training objective that can be applied to update parameters even with incomplete trajectories. Even when complete trajectories are available, being able to obtain more localized credit and gradients is found to speed up training convergence, as demonstrated across many simulations.

There is growing excitement about the potential of Language Models (LMs) to accelerate scientific discovery. Falsifying hypotheses is key to scientific progress, as it allows claims to be iteratively refined over time. This process requires significant researcher effort, reasoning, and ingenuity. Yet current benchmarks for LMs predominantly assess their ability to generate solutions rather than challenge them. We advocate for developing benchmarks that evaluate this inverse capability - creating counterexamples for subtly incorrect solutions. To demonstrate this approach, we start with the domain of algorithmic problem solving, where counterexamples can be evaluated automatically using code execution. Specifically, we introduce REFUTE, a dynamically updating benchmark that includes recent problems and incorrect submissions from programming competitions, where human experts successfully identified counterexamples. Our analysis finds that the best reasoning agents, even OpenAI o3-mini (high) with code execution feedback, can create counterexamples for only <9% of incorrect solutions in REFUTE, even though ratings indicate its ability to solve up to 48% of these problems from scratch. We hope our work spurs progress in evaluating and enhancing LMs' ability to falsify incorrect solutions - a capability that is crucial for both accelerating research and making models self-improve through reliable reflective reasoning.

We classify and re-examine some of the current approaches to improve the performance-computes trade-off of language models, including (1) non-causal models (such as masked language models), (2) extension of batch length with efficient attention, (3) recurrence, (4) conditional computation and (5) retrieval. We identify some limitations (1) - (4) suffer from. For example, (1) currently struggles with open-ended text generation with the output loosely constrained by the input as well as performing general textual tasks like GPT-2/3 due to its need for a specific fine-tuning dataset. (2) and (3) do not improve the prediction of the first sim 10^3 tokens. Scaling up a model size (e.g. efficiently with (4)) still results in poor performance scaling for some tasks. We argue (5) would resolve many of these limitations, and it can (a) reduce the amount of supervision and (b) efficiently extend the context over the entire training dataset and the entire past of the current sample. We speculate how to modify MARGE to perform unsupervised causal modeling that achieves (b) with the retriever jointly trained.

Deep model merging represents an emerging research direction that combines multiple fine-tuned models to harness their specialized capabilities across different tasks and domains. Current model merging techniques focus on merging all available models simultaneously, with weight interpolation-based methods being the predominant approaches. However, these conventional approaches are not well-suited for scenarios where models become available sequentially, and they often suffer from high memory requirements and potential interference between tasks. In this study, we propose a training-free projection-based continual merging method that processes models sequentially through orthogonal projections of weight matrices and adaptive scaling mechanisms. Our method operates by projecting new parameter updates onto subspaces orthogonal to existing merged parameter updates while using an adaptive scaling mechanism to maintain stable parameter distances, enabling efficient sequential integration of task-specific knowledge. Our approach maintains constant memory complexity to the number of models, minimizes interference between tasks through orthogonal projections, and retains the performance of previously merged models through adaptive task vector scaling. Extensive experiments on CLIP-ViT models demonstrate that our method achieves a 5-8% average accuracy improvement while maintaining robust performance in different task orderings.

Can meta-learning discover generic ways of processing time series (TS) from a diverse dataset so as to greatly improve generalization on new TS coming from different datasets? This work provides positive evidence to this using a broad meta-learning framework which we show subsumes many existing meta-learning algorithms. Our theoretical analysis suggests that residual connections act as a meta-learning adaptation mechanism, generating a subset of task-specific parameters based on a given TS input, thus gradually expanding the expressive power of the architecture on-the-fly. The same mechanism is shown via linearization analysis to have the interpretation of a sequential update of the final linear layer. Our empirical results on a wide range of data emphasize the importance of the identified meta-learning mechanisms for successful zero-shot univariate forecasting, suggesting that it is viable to train a neural network on a source TS dataset and deploy it on a different target TS dataset without retraining, resulting in performance that is at least as good as that of state-of-practice univariate forecasting models.

In recent years, the development of diffusion models has led to significant progress in image and video generation tasks, with pre-trained models like the Stable Diffusion series playing a crucial role. Inspired by model pruning which lightens large pre-trained models by removing unimportant parameters, we propose a novel model fine-tuning method to make full use of these ineffective parameters and enable the pre-trained model with new task-specified capabilities. In this work, we first investigate the importance of parameters in pre-trained diffusion models, and discover that the smallest 10% to 20% of parameters by absolute values do not contribute to the generation process. Based on this observation, we propose a method termed SaRA that re-utilizes these temporarily ineffective parameters, equating to optimizing a sparse weight matrix to learn the task-specific knowledge. To mitigate overfitting, we propose a nuclear-norm-based low-rank sparse training scheme for efficient fine-tuning. Furthermore, we design a new progressive parameter adjustment strategy to make full use of the re-trained/finetuned parameters. Finally, we propose a novel unstructural backpropagation strategy, which significantly reduces memory costs during fine-tuning. Our method enhances the generative capabilities of pre-trained models in downstream applications and outperforms traditional fine-tuning methods like LoRA in maintaining model's generalization ability. We validate our approach through fine-tuning experiments on SD models, demonstrating significant improvements. SaRA also offers a practical advantage that requires only a single line of code modification for efficient implementation and is seamlessly compatible with existing methods.

In reasoning tasks, even a minor error can cascade into inaccurate results, leading to suboptimal performance of large language models in such domains. Earlier fine-tuning approaches sought to mitigate this by leveraging more precise supervisory signals from human labeling, larger models, or self-sampling, although at a high cost. Conversely, we develop a method that avoids external resources, relying instead on introducing perturbations to the input. Our training approach randomly masks certain tokens within the chain of thought, a technique we found to be particularly effective for reasoning tasks. When applied to fine-tuning with GSM8K, this method achieved a 5% improvement in accuracy over standard supervised fine-tuning with a few codes modified and no additional labeling effort. Furthermore, it is complementary to existing methods. When integrated with related data augmentation methods, it leads to an average improvement of 3% improvement in GSM8K accuracy and 1% improvement in MATH accuracy across five datasets of various quality and size, as well as two base models. We further investigate the mechanisms behind this improvement through case studies and quantitative analysis, suggesting that our approach may provide superior support for the model in capturing long-distance dependencies, especially those related to questions. This enhancement could deepen understanding of premises in questions and prior steps. Our code is available at Github.

We propose a novel approach for learning interchangeable tokens in language models to obtain an extendable vocabulary that can generalize to new tokens. Our method is designed to address alpha-equivalence, the principle that renaming bound variables in a syntactic expression preserves semantics. This property arises in many formal languages such as temporal logics, in which all proposition symbols represent the same concept but are distinguishable from each other. To handle such tokens, we develop a dual-part embedding approach. The first part is shared across all interchangeable tokens, thereby enforcing that they represent the same core concept. The second part is randomly generated for each token, which enables distinguishability. We evaluate our method in a Transformer encoder-decoder model on two tasks: solving linear temporal logic formulae and copying with extendable vocabulary. Our method demonstrates promising generalization capabilities in addition to introducing a favorable inductive bias for alpha-equivalence.

Generative machine learning models are increasingly being used to design novel proteins for therapeutic and biotechnological applications. However, the current methods mostly focus on the design of proteins with a fixed backbone structure, which leads to their limited ability to account for protein flexibility, one of the crucial properties for protein function. Learning to engineer protein flexibility is problematic because the available data are scarce, heterogeneous, and costly to obtain using computational as well as experimental methods. Our contributions to address this problem are three-fold. First, we comprehensively compare methods for quantifying protein flexibility and identify data relevant to learning. Second, we design and train flexibility predictors utilizing sequential or both sequential and structural information on the input. We overcome the data scarcity issue by leveraging a pre-trained protein language model. Third, we introduce a method for fine-tuning a protein inverse folding model to steer it toward desired flexibility in specified regions. We demonstrate that our method Flexpert-Design enables guidance of inverse folding models toward increased flexibility. This opens up new possibilities for protein flexibility engineering and the development of proteins with enhanced biological activities.

The success of large-scale language models like GPT can be attributed to their ability to efficiently predict the next token in a sequence. However, these models rely on constant computational effort regardless of the complexity of the token they are predicting, lacking the capacity for iterative refinement. In this paper, we introduce a novel Loop-Residual Neural Network, which achieves better performance by utilizing longer computational time without increasing the model size. Our approach revisits the input multiple times, refining the prediction by iteratively looping over a subset of the model with residual connections. We demonstrate the effectiveness of this method through experiments comparing versions of GPT-2 with our Loop-Residual models, showing improved performance in language modeling tasks while maintaining similar parameter counts. Importantly, these improvements are achieved without the need for extra training data.

As open-weight large language models (LLMs) achieve ever more impressive performances across a wide range of tasks in English, practitioners aim to adapt these models to different languages. However, such language adaptation is often accompanied by catastrophic forgetting of the base model's capabilities, severely limiting the usefulness of the resulting model. We address this issue by proposing Branch-and-Merge (BaM), a new adaptation method based on iteratively merging multiple models, fine-tuned on a subset of the available training data. BaM is based on the insight that this yields lower magnitude but higher quality weight changes, reducing forgetting of the source domain while maintaining learning on the target domain. We demonstrate in an extensive empirical study on Bulgarian and German that BaM can significantly reduce forgetting while matching or even improving target domain performance compared to both standard continued pretraining and instruction finetuning across different model architectures.

Refusal training is widely used to prevent LLMs from generating harmful, undesirable, or illegal outputs. We reveal a curious generalization gap in the current refusal training approaches: simply reformulating a harmful request in the past tense (e.g., "How to make a Molotov cocktail?" to "How did people make a Molotov cocktail?") is often sufficient to jailbreak many state-of-the-art LLMs. We systematically evaluate this method on Llama-3 8B, Claude-3.5 Sonnet, GPT-3.5 Turbo, Gemma-2 9B, Phi-3-Mini, GPT-4o mini, GPT-4o, and R2D2 models using GPT-3.5 Turbo as a reformulation model. For example, the success rate of this simple attack on GPT-4o increases from 1% using direct requests to 88% using 20 past tense reformulation attempts on harmful requests from JailbreakBench with GPT-4 as a jailbreak judge. Interestingly, we also find that reformulations in the future tense are less effective, suggesting that refusal guardrails tend to consider past historical questions more benign than hypothetical future questions. Moreover, our experiments on fine-tuning GPT-3.5 Turbo show that defending against past reformulations is feasible when past tense examples are explicitly included in the fine-tuning data. Overall, our findings highlight that the widely used alignment techniques -- such as SFT, RLHF, and adversarial training -- employed to align the studied models can be brittle and do not always generalize as intended. We provide code and jailbreak artifacts at https://github.com/tml-epfl/llm-past-tense.

Recently, simultaneous translation has gathered a lot of attention since it enables compelling applications such as subtitle translation for a live event or real-time video-call translation. Some of these translation applications allow editing of partial translation giving rise to re-translation approaches. The current re-translation approaches are based on autoregressive sequence generation models (ReTA), which generate tar-get tokens in the (partial) translation sequentially. The multiple re-translations with sequential generation inReTAmodelslead to an increased inference time gap between the incoming source input and the corresponding target output as the source input grows. Besides, due to the large number of inference operations involved, the ReTA models are not favorable for resource-constrained devices. In this work, we propose a faster re-translation system based on a non-autoregressive sequence generation model (FReTNA) to overcome the aforementioned limitations. We evaluate the proposed model on multiple translation tasks and our model reduces the inference times by several orders and achieves a competitive BLEUscore compared to the ReTA and streaming (Wait-k) models.The proposed model reduces the average computation time by a factor of 20 when compared to the ReTA model by incurring a small drop in the translation quality. It also outperforms the streaming-based Wait-k model both in terms of computation time (1.5 times lower) and translation quality.

LLMs have demonstrated significant potential in code generation tasks, achieving promising results at the function or statement level across various benchmarks. However, the complexities associated with creating code artifacts like classes, particularly within the context of real-world software repositories, remain underexplored. Prior research treats class-level generation as an isolated task, neglecting the intricate dependencies & interactions that characterize real-world software environments. To address this gap, we introduce RepoClassBench, a comprehensive benchmark designed to rigorously evaluate LLMs in generating complex, class-level code within real-world repositories. RepoClassBench includes "Natural Language to Class generation" tasks across Java, Python & C# from a selection of repositories. We ensure that each class in our dataset not only has cross-file dependencies within the repository but also includes corresponding test cases to verify its functionality. We find that current models struggle with the realistic challenges posed by our benchmark, primarily due to their limited exposure to relevant repository contexts. To address this shortcoming, we introduce Retrieve-Repotools-Reflect (RRR), a novel approach that equips LLMs with static analysis tools to iteratively navigate & reason about repository-level context in an agent-based framework. Our experiments demonstrate that RRR significantly outperforms existing baselines on RepoClassBench, showcasing its effectiveness across programming languages & under various settings. Our findings emphasize the critical need for code-generation benchmarks to incorporate repo-level dependencies to more accurately reflect the complexities of software development. Our work shows the benefits of leveraging specialized tools to enhance LLMs' understanding of repository context. We plan to make our dataset & evaluation harness public.

Post-Training Quantization (PTQ) has received significant attention because it requires only a small set of calibration data to quantize a full-precision model, which is more practical in real-world applications in which full access to a large training set is not available. However, it often leads to overfitting on the small calibration dataset. Several methods have been proposed to address this issue, yet they still rely on only the calibration set for the quantization and they do not validate the quantized model due to the lack of a validation set. In this work, we propose a novel meta-learning based approach to enhance the performance of post-training quantization. Specifically, to mitigate the overfitting problem, instead of only training the quantized model using the original calibration set without any validation during the learning process as in previous PTQ works, in our approach, we both train and validate the quantized model using two different sets of images. In particular, we propose a meta-learning based approach to jointly optimize a transformation network and a quantized model through bi-level optimization. The transformation network modifies the original calibration data and the modified data will be used as the training set to learn the quantized model with the objective that the quantized model achieves a good performance on the original calibration data. Extensive experiments on the widely used ImageNet dataset with different neural network architectures demonstrate that our approach outperforms the state-of-the-art PTQ methods.

This paper proposes a method for the automatic creation of variables (in the case of regression) that complement the information contained in the initial input vector. The method works as a pre-processing step in which the continuous values of the variable to be regressed are discretized into a set of intervals which are then used to define value thresholds. Then classifiers are trained to predict whether the value to be regressed is less than or equal to each of these thresholds. The different outputs of the classifiers are then concatenated in the form of an additional vector of variables that enriches the initial vector of the regression problem. The implemented system can thus be considered as a generic pre-processing tool. We tested the proposed enrichment method with 5 types of regressors and evaluated it in 33 regression datasets. Our experimental results confirm the interest of the approach.

Model adaptation aims at solving the domain transfer problem under the constraint of only accessing the pretrained source models. With the increasing considerations of data privacy and transmission efficiency, this paradigm has been gaining recent popularity. This paper studies the vulnerability to universal attacks transferred from the source domain during model adaptation algorithms due to the existence of the malicious providers. We explore both universal adversarial perturbations and backdoor attacks as loopholes on the source side and discover that they still survive in the target models after adaptation. To address this issue, we propose a model preprocessing framework, named AdaptGuard, to improve the security of model adaptation algorithms. AdaptGuard avoids direct use of the risky source parameters through knowledge distillation and utilizes the pseudo adversarial samples under adjusted radius to enhance the robustness. AdaptGuard is a plug-and-play module that requires neither robust pretrained models nor any changes for the following model adaptation algorithms. Extensive results on three commonly used datasets and two popular adaptation methods validate that AdaptGuard can effectively defend against universal attacks and maintain clean accuracy in the target domain simultaneously. We hope this research will shed light on the safety and robustness of transfer learning.

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional architectures in a causal multi-headed graph mechanism, to realize a generative pretrained model. The model is applied to predict secondary structure content (per-residue level and overall content), protein solubility, and sequencing tasks. Further trained on inverse tasks, the model is rendered capable of designing proteins with these properties as target features. The model is formulated as a general framework, completely prompt-based, and can be adapted for a variety of downstream tasks. We find that adding additional tasks yields emergent synergies that the model exploits in improving overall performance, beyond what would be possible by training a model on each dataset alone. Case studies are presented to validate the method, yielding protein designs specifically focused on structural proteins, but also exploring the applicability in the design of soluble, antimicrobial biomaterials. While our model is trained to ultimately perform 8 distinct tasks, with available datasets it can be extended to solve additional problems. In a broader sense, this work illustrates a form of multiscale modeling that relates a set of ultimate building blocks (here, byte-level utf8 characters) to complex output. This materiomic scheme captures complex emergent relationships between universal building block and resulting properties via a synergizing learning capacity to express a set of potentialities embedded in the knowledge used in training, via the interplay of universality and diversity.

Automated theorem proving (ATP) has become an appealing domain for exploring the reasoning ability of the recent successful generative language models. However, current ATP benchmarks mainly focus on symbolic inference, but rarely involve the understanding of complex number combination reasoning. In this work, we propose TRIGO, an ATP benchmark that not only requires a model to reduce a trigonometric expression with step-by-step proofs but also evaluates a generative LM's reasoning ability on formulas and its capability to manipulate, group, and factor number terms. We gather trigonometric expressions and their reduced forms from the web, annotate the simplification process manually, and translate it into the Lean formal language system. We then automatically generate additional examples from the annotated samples to expand the dataset. Furthermore, we develop an automatic generator based on Lean-Gym to create dataset splits of varying difficulties and distributions in order to thoroughly analyze the model's generalization ability. Our extensive experiments show our proposed TRIGO poses a new challenge for advanced generative LM's including GPT-4 which is pre-trained on a considerable amount of open-source formal theorem-proving language data, and provide a new tool to study the generative LM's ability on both formal and mathematical reasoning.

Deep graph generative modeling has proven capable of learning the distribution of complex, multi-scale structures characterizing real-world graphs. However, one of the main limitations of existing methods is their large output space, which limits generation scalability and hinders accurate modeling of the underlying distribution. To overcome these limitations, we propose a novel approach that significantly reduces the output space of existing graph generative models. Specifically, starting from the observation that many real-world graphs have low graph bandwidth, we restrict graph bandwidth during training and generation. Our strategy improves both generation scalability and quality without increasing architectural complexity or reducing expressiveness. Our approach is compatible with existing graph generative methods, and we describe its application to both autoregressive and one-shot models. We extensively validate our strategy on synthetic and real datasets, including molecular graphs. Our experiments show that, in addition to improving generation efficiency, our approach consistently improves generation quality and reconstruction accuracy. The implementation is made available.

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.

Large language models (LLMs) have significantly benefited from training on diverse, high-quality task-specific data, leading to impressive performance across a range of downstream applications. Current methods often rely on human-annotated data or predefined task templates to direct powerful LLMs in synthesizing task-relevant data for effective model training. However, this dependence on manually designed components may constrain the scope of generated data, potentially overlooking critical edge cases or novel scenarios that could challenge the model. In this paper, we present a novel approach, ReverseGen, designed to automatically generate effective training samples that expose the weaknesses of LLMs. Specifically, we introduce a dedicated proposer trained to produce queries that lead target models to generate unsatisfactory responses. These failure-inducing queries are then used to construct training data, helping to address the models' shortcomings and improve overall performance. Our approach is flexible and can be applied to models of various scales (3B, 7B, and 8B). We evaluate ReverseGen on three key applications (safety, honesty, and math), demonstrating that our generated data is both highly effective and diverse. Models fine-tuned with ReverseGen-generated data consistently outperform those trained on human-annotated or general model-generated data, offering a new perspective on data synthesis for task-specific LLM enhancement.

Large language models (LLMs) have shown promise in proving formal theorems using proof assistants such as Lean. However, existing methods are difficult to reproduce or build on, due to private code, data, and large compute requirements. This has created substantial barriers to research on machine learning methods for theorem proving. This paper removes these barriers by introducing LeanDojo: an open-source Lean playground consisting of toolkits, data, models, and benchmarks. LeanDojo extracts data from Lean and enables interaction with the proof environment programmatically. It contains fine-grained annotations of premises in proofs, providing valuable data for premise selection: a key bottleneck in theorem proving. Using this data, we develop ReProver (Retrieval-Augmented Prover): the first LLM-based prover that is augmented with retrieval for selecting premises from a vast math library. It is inexpensive and needs only one GPU week of training. Our retriever leverages LeanDojo's program analysis capability to identify accessible premises and hard negative examples, which makes retrieval much more effective. Furthermore, we construct a new benchmark consisting of 96,962 theorems and proofs extracted from Lean's math library. It features challenging data split requiring the prover to generalize to theorems relying on novel premises that are never used in training. We use this benchmark for training and evaluation, and experimental results demonstrate the effectiveness of ReProver over non-retrieval baselines and GPT-4. We thus provide the first set of open-source LLM-based theorem provers without any proprietary datasets and release it under a permissive MIT license to facilitate further research.

The rapid progress in open-source large language models (LLMs) is significantly advancing AI development. Extensive efforts have been made before model release to align their behavior with human values, with the primary goal of ensuring their helpfulness and harmlessness. However, even carefully aligned models can be manipulated maliciously, leading to unintended behaviors, known as "jailbreaks". These jailbreaks are typically triggered by specific text inputs, often referred to as adversarial prompts. In this work, we propose the generation exploitation attack, an extremely simple approach that disrupts model alignment by only manipulating variations of decoding methods. By exploiting different generation strategies, including varying decoding hyper-parameters and sampling methods, we increase the misalignment rate from 0% to more than 95% across 11 language models including LLaMA2, Vicuna, Falcon, and MPT families, outperforming state-of-the-art attacks with 30times lower computational cost. Finally, we propose an effective alignment method that explores diverse generation strategies, which can reasonably reduce the misalignment rate under our attack. Altogether, our study underscores a major failure in current safety evaluation and alignment procedures for open-source LLMs, strongly advocating for more comprehensive red teaming and better alignment before releasing such models. Our code is available at https://github.com/Princeton-SysML/Jailbreak_LLM.

Graph Neural Networks (GNNs) are popular models for machine learning on graphs that typically follow the message-passing paradigm, whereby the feature of a node is updated recursively upon aggregating information over its neighbors. While exchanging messages over the input graph endows GNNs with a strong inductive bias, it can also make GNNs susceptible to over-squashing, thereby preventing them from capturing long-range interactions in the given graph. To rectify this issue, graph rewiring techniques have been proposed as a means of improving information flow by altering the graph connectivity. In this work, we identify three desiderata for graph-rewiring: (i) reduce over-squashing, (ii) respect the locality of the graph, and (iii) preserve the sparsity of the graph. We highlight fundamental trade-offs that occur between spatial and spectral rewiring techniques; while the former often satisfy (i) and (ii) but not (iii), the latter generally satisfy (i) and (iii) at the expense of (ii). We propose a novel rewiring framework that satisfies all of (i)--(iii) through a locality-aware sequence of rewiring operations. We then discuss a specific instance of such rewiring framework and validate its effectiveness on several real-world benchmarks, showing that it either matches or significantly outperforms existing rewiring approaches.

Deep Neural Networks (DNNs) are being adopted as components in software systems. Creating and specializing DNNs from scratch has grown increasingly difficult as state-of-the-art architectures grow more complex. Following the path of traditional software engineering, machine learning engineers have begun to reuse large-scale pre-trained models (PTMs) and fine-tune these models for downstream tasks. Prior works have studied reuse practices for traditional software packages to guide software engineers towards better package maintenance and dependency management. We lack a similar foundation of knowledge to guide behaviors in pre-trained model ecosystems. In this work, we present the first empirical investigation of PTM reuse. We interviewed 12 practitioners from the most popular PTM ecosystem, Hugging Face, to learn the practices and challenges of PTM reuse. From this data, we model the decision-making process for PTM reuse. Based on the identified practices, we describe useful attributes for model reuse, including provenance, reproducibility, and portability. Three challenges for PTM reuse are missing attributes, discrepancies between claimed and actual performance, and model risks. We substantiate these identified challenges with systematic measurements in the Hugging Face ecosystem. Our work informs future directions on optimizing deep learning ecosystems by automated measuring useful attributes and potential attacks, and envision future research on infrastructure and standardization for model registries.

The field of general time series analysis has recently begun to explore unified modeling, where a common architectural backbone can be retrained on a specific task for a specific dataset. In this work, we approach unification from a complementary vantage point: unification across tasks and domains. To this end, we explore the impact of discrete, learnt, time series data representations that enable generalist, cross-domain training. Our method, TOTEM, or TOkenized Time Series EMbeddings, proposes a simple tokenizer architecture that embeds time series data from varying domains using a discrete vectorized representation learned in a self-supervised manner. TOTEM works across multiple tasks and domains with minimal to no tuning. We study the efficacy of TOTEM with an extensive evaluation on 17 real world time series datasets across 3 tasks. We evaluate both the specialist (i.e., training a model on each domain) and generalist (i.e., training a single model on many domains) settings, and show that TOTEM matches or outperforms previous best methods on several popular benchmarks. The code can be found at: https://github.com/SaberaTalukder/TOTEM.

Composition models of distributional semantics are used to construct phrase representations from the representations of their words. Composition models are typically situated on two ends of a spectrum. They either have a small number of parameters but compose all phrases in the same way, or they perform word-specific compositions at the cost of a far larger number of parameters. In this paper we propose transformation weighting (TransWeight), a composition model that consistently outperforms existing models on nominal compounds, adjective-noun phrases and adverb-adjective phrases in English, German and Dutch. TransWeight drastically reduces the number of parameters needed compared to the best model in the literature by composing similar words in the same way.

In the era of foundation models with huge pre-training budgets, the downstream tasks have been shifted to the narrative of efficient and fast adaptation. For classification-based tasks in the domain of computer vision, the two most efficient approaches have been linear probing (LP) and visual prompting/reprogramming (VP); the former aims to learn a classifier in the form of a linear head on the features extracted by the pre-trained model, while the latter maps the input data to the domain of the source data on which the model was originally pre-trained on. Although extensive studies have demonstrated the differences between LP and VP in terms of downstream performance, we explore the capabilities of the two aforementioned methods via the sparsity axis: (a) Data sparsity: the impact of few-shot adaptation and (b) Model sparsity: the impact of lottery tickets (LT). We demonstrate that LT are not universal reprogrammers, i.e., for certain target datasets, reprogramming an LT yields significantly lower performance than the reprogrammed dense model although their corresponding upstream performance is similar. Further, we demonstrate that the calibration of dense models is always superior to that of their lottery ticket counterparts under both LP and VP regimes. Our empirical study opens a new avenue of research into VP for sparse models and encourages further understanding of the performance beyond the accuracy achieved by VP under constraints of sparsity. Code and logs can be accessed at https://github.com/landskape-ai/Reprogram_LT.

Transformers are considered conceptually different compared to the previous generation of state-of-the-art NLP models - recurrent neural networks (RNNs). In this work, we demonstrate that decoder-only transformers can in fact be conceptualized as infinite multi-state RNNs - an RNN variant with unlimited hidden state size. We further show that pretrained transformers can be converted into finite multi-state RNNs by fixing the size of their hidden state. We observe that several existing transformers cache compression techniques can be framed as such conversion policies, and introduce a novel policy, TOVA, which is simpler compared to these policies. Our experiments with several long range tasks indicate that TOVA outperforms all other baseline policies, while being nearly on par with the full (infinite) model, and using in some cases only 1{8} of the original cache size. Our results indicate that transformer decoder LLMs often behave in practice as RNNs. They also lay out the option of mitigating one of their most painful computational bottlenecks - the size of their cache memory. We publicly release our code at https://github.com/schwartz-lab-NLP/TOVA.

This paper introduces a novel training methodology that enables a small Transformer model to generalize the addition of two-digit numbers to numbers with unseen lengths of digits. The proposed approach employs an autoregressive generation technique, processing from right to left, which mimics a common manual method for adding large numbers. To the best of my knowledge, this methodology has not been previously explored in the literature. All results are reproducible, and the corresponding R code is available at: https://github.com/AGPatriota/ALGA-R/.

Adapting generative models to specific domains presents an effective solution for satisfying specialized requirements. However, adapting to some complex domains remains challenging, especially when these domains require substantial paired data to capture the targeted distributions. Since unpaired data from a single modality, such as vision or language, is more readily available, we utilize the bidirectional mappings between vision and language learned by the unified generative model to enable training on unpaired data for domain adaptation. Specifically, we propose DoraCycle, which integrates two multimodal cycles: text-to-image-to-text and image-to-text-to-image. The model is optimized through cross-entropy loss computed at the cycle endpoints, where both endpoints share the same modality. This facilitates self-evolution of the model without reliance on annotated text-image pairs. Experimental results demonstrate that for tasks independent of paired knowledge, such as stylization, DoraCycle can effectively adapt the unified model using only unpaired data. For tasks involving new paired knowledge, such as specific identities, a combination of a small set of paired image-text examples and larger-scale unpaired data is sufficient for effective domain-oriented adaptation. The code will be released at https://github.com/showlab/DoraCycle.

Large artificial neural networks have become a mainstay of language, vision, and audio processing and synthesis, yet their initializations and learning rates are often set in an unsophisticated fashion, due to the high cost of hyperparameter sweeps at scale. The mu-Parameterization (muP) offers a potential solution to this challenge, yielding scaling rules for model initialization and learning rates while reportedly enabling zero-shot hyperparameter transfer from small to large models. Despite its evident promise, the muP method is not yet widely adopted, perhaps due to higher implementation complexity, many variations, or complex theoretical background. This work investigates muP empirically, focusing on the ubiquitous transformer architecture, and aims to answer a simple question: does mu-Transfer yield optimal learning rates in practice? Studying models of up to 10B parameters and training budgets of up to 190B tokens, we find mu-Transfer works as intended for the majority of important cases, yet also identify a few cases where it may not.

This paper investigates the ability of transformer-based models to learn structural recursion from examples. Recursion is a universal concept in both natural and formal languages. Structural recursion is central to the programming language and formal mathematics tasks where symbolic tools currently excel beyond neural models, such as inferring semantic relations between datatypes and emulating program behavior. We introduce a general framework that nicely connects the abstract concepts of structural recursion in the programming language domain to concrete sequence modeling problems and learned models' behavior. The framework includes a representation that captures the general syntax of structural recursion, coupled with two different frameworks for understanding their semantics -- one that is more natural from a programming languages perspective and one that helps bridge that perspective with a mechanistic understanding of the underlying transformer architecture. With our framework as a powerful conceptual tool, we identify different issues under various set-ups. The models trained to emulate recursive computations cannot fully capture the recursion yet instead fit short-cut algorithms and thus cannot solve certain edge cases that are under-represented in the training distribution. In addition, it is difficult for state-of-the-art large language models (LLMs) to mine recursive rules from in-context demonstrations. Meanwhile, these LLMs fail in interesting ways when emulating reduction (step-wise computation) of the recursive function.

Current inference scaling methods, such as Self-consistency and Best-of-N, have proven effective in improving the accuracy of LLMs on complex reasoning tasks. However, these methods rely heavily on the quality of candidate responses and are unable to produce correct answers when all candidates are incorrect. In this paper, we propose a novel inference scaling strategy, CoT-based Synthesizer, which leverages CoT reasoning to synthesize superior answers by analyzing complementary information from multiple candidate responses, even when all candidate responses are flawed. To enable a lightweight and cost-effective implementation, we introduce an automated data generation pipeline that creates diverse training data. This allows smaller LLMs trained on this data to improve the inference accuracy of larger models, including API-based LLMs. Experimental results across four benchmark datasets with seven policy models demonstrate that our method significantly enhances performance, with gains of 11.8% for Llama3-8B and 10.3% for GPT-4o on the MATH dataset. The corresponding training data and code are publicly available on https://github.com/RUCKBReasoning/CoT-based-Synthesizer.

Works on lottery ticket hypothesis (LTH) and single-shot network pruning (SNIP) have raised a lot of attention currently on post-training pruning (iterative magnitude pruning), and before-training pruning (pruning at initialization). The former method suffers from an extremely large computation cost and the latter usually struggles with insufficient performance. In comparison, during-training pruning, a class of pruning methods that simultaneously enjoys the training/inference efficiency and the comparable performance, temporarily, has been less explored. To better understand during-training pruning, we quantitatively study the effect of pruning throughout training from the perspective of pruning plasticity (the ability of the pruned networks to recover the original performance). Pruning plasticity can help explain several other empirical observations about neural network pruning in literature. We further find that pruning plasticity can be substantially improved by injecting a brain-inspired mechanism called neuroregeneration, i.e., to regenerate the same number of connections as pruned. We design a novel gradual magnitude pruning (GMP) method, named gradual pruning with zero-cost neuroregeneration (GraNet), that advances state of the art. Perhaps most impressively, its sparse-to-sparse version for the first time boosts the sparse-to-sparse training performance over various dense-to-sparse methods with ResNet-50 on ImageNet without extending the training time. We release all codes in https://github.com/Shiweiliuiiiiiii/GraNet.

Neural network scaling has been critical for improving the model quality in many real-world machine learning applications with vast amounts of training data and compute. Although this trend of scaling is affirmed to be a sure-fire approach for better model quality, there are challenges on the path such as the computation cost, ease of programming, and efficient implementation on parallel devices. GShard is a module composed of a set of lightweight annotation APIs and an extension to the XLA compiler. It provides an elegant way to express a wide range of parallel computation patterns with minimal changes to the existing model code. GShard enabled us to scale up multilingual neural machine translation Transformer model with Sparsely-Gated Mixture-of-Experts beyond 600 billion parameters using automatic sharding. We demonstrate that such a giant model can efficiently be trained on 2048 TPU v3 accelerators in 4 days to achieve far superior quality for translation from 100 languages to English compared to the prior art.

There is growing interest in ensuring that large language models (LLMs) align with human values. However, the alignment of such models is vulnerable to adversarial jailbreaks, which coax LLMs into overriding their safety guardrails. The identification of these vulnerabilities is therefore instrumental in understanding inherent weaknesses and preventing future misuse. To this end, we propose Prompt Automatic Iterative Refinement (PAIR), an algorithm that generates semantic jailbreaks with only black-box access to an LLM. PAIR -- which is inspired by social engineering attacks -- uses an attacker LLM to automatically generate jailbreaks for a separate targeted LLM without human intervention. In this way, the attacker LLM iteratively queries the target LLM to update and refine a candidate jailbreak. Empirically, PAIR often requires fewer than twenty queries to produce a jailbreak, which is orders of magnitude more efficient than existing algorithms. PAIR also achieves competitive jailbreaking success rates and transferability on open and closed-source LLMs, including GPT-3.5/4, Vicuna, and PaLM-2.

Hyperparameter (HP) tuning in deep learning is an expensive process, prohibitively so for neural networks (NNs) with billions of parameters. We show that, in the recently discovered Maximal Update Parametrization (muP), many optimal HPs remain stable even as model size changes. This leads to a new HP tuning paradigm we call muTransfer: parametrize the target model in muP, tune the HP indirectly on a smaller model, and zero-shot transfer them to the full-sized model, i.e., without directly tuning the latter at all. We verify muTransfer on Transformer and ResNet. For example, 1) by transferring pretraining HPs from a model of 13M parameters, we outperform published numbers of BERT-large (350M parameters), with a total tuning cost equivalent to pretraining BERT-large once; 2) by transferring from 40M parameters, we outperform published numbers of the 6.7B GPT-3 model, with tuning cost only 7% of total pretraining cost. A Pytorch implementation of our technique can be found at github.com/microsoft/mup and installable via `pip install mup`.

Test-time adaptation (TTA) aims to adapt a pre-trained model to the target domain in a batch-by-batch manner during inference. While label distributions often exhibit imbalances in real-world scenarios, most previous TTA approaches typically assume that both source and target domain datasets have balanced label distribution. Due to the fact that certain classes appear more frequently in certain domains (e.g., buildings in cities, trees in forests), it is natural that the label distribution shifts as the domain changes. However, we discover that the majority of existing TTA methods fail to address the coexistence of covariate and label shifts. To tackle this challenge, we propose a novel label shift adapter that can be incorporated into existing TTA approaches to deal with label shifts during the TTA process effectively. Specifically, we estimate the label distribution of the target domain to feed it into the label shift adapter. Subsequently, the label shift adapter produces optimal parameters for the target label distribution. By predicting only the parameters for a part of the pre-trained source model, our approach is computationally efficient and can be easily applied, regardless of the model architectures. Through extensive experiments, we demonstrate that integrating our strategy with TTA approaches leads to substantial performance improvements under the joint presence of label and covariate shifts.

While prompt tuning approaches have achieved competitive performance with high efficiency, we observe that they invariably employ the same initialization process, wherein the soft prompt is either randomly initialized or derived from an existing embedding vocabulary. In contrast to these conventional methods, this study aims to investigate an alternative way to derive soft prompt. Our empirical studies show that the soft prompt typically exhibits a low intrinsic rank characteristic. With such observations, we propose decomposed prompt tuning, a novel approach that utilizes low-rank matrices to initialize the soft prompt. Through the low-rank reparameterization, our method significantly reduces the number of trainable parameters while maintaining effectiveness. Experimental results on the SuperGLUE benchmark in both high-resource and low-resource scenarios demonstrate the effectiveness of the proposed method.

In Retrieval-Augmented Generation (RAG) and agent-based frameworks, the "Chain of Models" approach is widely used, where multiple specialized models work sequentially on distinct sub-tasks. This approach is effective but increases resource demands as each model must be deployed separately. Recent advancements attempt to address this by applying prompt tuning, which allows a shared base model to adapt to multiple tasks with minimal parameter changes. However, a key challenge remains: intermediate outputs, passed between models as plain text, require recomputation of hidden states (i.e., Key and Value (KV) states in Transformers) during inference. In this paper, we introduce FTHSS, a novel prompt-tuning method that enables models to share KV hidden states, eliminating redundant forward passes and reducing KV cache storage. By modifying input and attention masks during training, FTHSS allows models to effectively utilize KV hidden states from prior models in both single- and multi-round scenarios. Empirical results on four tasks show that FTHSS matches the performance of traditional model chains while improving inference efficiency.

Programming with Generative AI (GenAI) models is a type of Neurosymbolic programming and has seen tremendous adoption across many domains. However, leveraging GenAI models in code today can be complex, counter-intuitive and often require specialized frameworks, leading to increased complexity. This is because it is currently unclear as to the right abstractions through which we should marry GenAI models with the nature of traditional programming code constructs. In this paper, we introduce a set of novel abstractions to help bridge the gap between Neuro- and symbolic programming. We introduce Meaning, a new specialized type that represents the underlying semantic value of traditional types (e.g., string). We make the case that GenAI models, LLMs in particular, should be reasoned as a meaning-type wrapped code construct at the language level. We formulate the problem of translation between meaning and traditional types and propose Automatic Meaning-Type Transformation (A-MTT), a runtime feature that abstracts this translation away from the developers by automatically converting between M eaning and types at the interface of LLM invocation. Leveraging this new set of code constructs and OTT, we demonstrate example implementation of neurosymbolic programs that seamlessly utilizes LLMs to solve problems in place of potentially complex traditional programming logic.

Large language models (LLMs) have seen considerable advancements in natural language understanding tasks, yet there remains a gap to bridge before attaining true artificial general intelligence, especially concerning shortcomings in mathematical reasoning capabilities. We postulate that the inherent nature of LLM training, which focuses on predicting probabilities of next token, presents challenges in effectively modeling mathematical reasoning that demands exact calculations, both from data-driven and theoretical standpoints. In this paper, we address this challenge by enriching the data landscape and introducing a novel math dataset, enhanced with a capability to utilize a Python code interpreter. This dataset is derived from GSM8K and MATH and has been further refined through a combination of GPT-4 annotations, human review, and self-training processes, where the errors in the original GSM8K training set have been fixed. Additionally, we propose a tentative, easily replicable protocol for the fine-tuning of math-specific LLMs, which has led to a significant improvement in the performance of a 7B-parameter LLM on the GSM8K and MATH datasets. We are committed to advancing the field of mathematical reasoning in LLMs and, to that end, we have made the model checkpoints and will make the dataset publicly available. We hope this will facilitate further research and development within the community.

Language models have shown impressive performance on tasks within their training distribution, but often struggle with novel problems requiring complex reasoning. We investigate the effectiveness of test-time training (TTT) -- updating model parameters temporarily during inference using a loss derived from input data -- as a mechanism for improving models' reasoning capabilities, using the Abstraction and Reasoning Corpus (ARC) as a benchmark. Through systematic experimentation, we identify three crucial components for successful TTT: (1) initial finetuning on similar tasks (2) auxiliary task format and augmentations (3) per-instance training. TTT significantly improves performance on ARC tasks, achieving up to 6x improvement in accuracy compared to base fine-tuned models; applying TTT to an 8B-parameter language model, we achieve 53% accuracy on the ARC's public validation set, improving the state-of-the-art by nearly 25% for public and purely neural approaches. By ensembling our method with recent program generation approaches, we get SoTA public validation accuracy of 61.9%, matching the average human score. Our findings suggest that explicit symbolic search is not the only path to improved abstract reasoning in neural language models; additional test-time applied to continued training on few-shot examples can also be extremely effective.

Activation Patching is a method of directly computing causal attributions of behavior to model components. However, applying it exhaustively requires a sweep with cost scaling linearly in the number of model components, which can be prohibitively expensive for SoTA Large Language Models (LLMs). We investigate Attribution Patching (AtP), a fast gradient-based approximation to Activation Patching and find two classes of failure modes of AtP which lead to significant false negatives. We propose a variant of AtP called AtP*, with two changes to address these failure modes while retaining scalability. We present the first systematic study of AtP and alternative methods for faster activation patching and show that AtP significantly outperforms all other investigated methods, with AtP* providing further significant improvement. Finally, we provide a method to bound the probability of remaining false negatives of AtP* estimates.

In the era of large language models, model merging is a promising way to combine multiple task-specific models into a single multitask model without extra training. However, two challenges remain: (a) interference between different models and (b) heterogeneous data during testing. Traditional model merging methods often show significant performance gaps compared to fine-tuned models due to these issues. Additionally, a one-size-fits-all model lacks flexibility for diverse test data, leading to performance degradation. We show that both shared and exclusive task-specific knowledge are crucial for merging performance, but directly merging exclusive knowledge hinders overall performance. In view of this, we propose Twin-Merging, a method that encompasses two principal stages: (1) modularizing knowledge into shared and exclusive components, with compression to reduce redundancy and enhance efficiency; (2) dynamically merging shared and task-specific knowledge based on the input. This approach narrows the performance gap between merged and fine-tuned models and improves adaptability to heterogeneous data. Extensive experiments on 12 datasets for both discriminative and generative tasks demonstrate the effectiveness of our method, showing an average improvement of 28.34% in absolute normalized score for discriminative tasks and even surpassing the fine-tuned upper bound on the generative tasks. (Our implementation is available in https://github.com/LZY-the-boys/Twin-Mergin.)

Visual recognition models are prone to learning spurious correlations induced by a biased training set where certain conditions B (\eg, Indoors) are over-represented in certain classes Y (\eg, Big Dogs). Synthetic data from off-the-shelf large-scale generative models offers a promising direction to mitigate this issue by augmenting underrepresented subgroups in the real dataset. However, by using a mixed distribution of real and synthetic data, we introduce another source of bias due to distributional differences between synthetic and real data (\eg synthetic artifacts). As we will show, prior work's approach for using synthetic data to resolve the model's bias toward B do not correct the model's bias toward the pair (B, G), where G denotes whether the sample is real or synthetic. Thus, the model could simply learn signals based on the pair (B, G) (\eg, Synthetic Indoors) to make predictions about Y (\eg, Big Dogs). To address this issue, we propose a simple, easy-to-implement, two-step training pipeline that we call From Fake to Real (FFR). The first step of FFR pre-trains a model on balanced synthetic data to learn robust representations across subgroups. In the second step, FFR fine-tunes the model on real data using ERM or common loss-based bias mitigation methods. By training on real and synthetic data separately, FFR does not expose the model to the statistical differences between real and synthetic data and thus avoids the issue of bias toward the pair (B, G). Our experiments show that FFR improves worst group accuracy over the state-of-the-art by up to 20\% over three datasets. Code available: https://github.com/mqraitem/From-Fake-to-Real

In several recently proposed stochastic optimization methods (e.g. RMSProp, Adam, Adadelta), parameter updates are scaled by the inverse square roots of exponential moving averages of squared past gradients. Maintaining these per-parameter second-moment estimators requires memory equal to the number of parameters. For the case of neural network weight matrices, we propose maintaining only the per-row and per-column sums of these moving averages, and estimating the per-parameter second moments based on these sums. We demonstrate empirically that this method produces similar results to the baseline. Secondly, we show that adaptive methods can produce larger-than-desired updates when the decay rate of the second moment accumulator is too slow. We propose update clipping and a gradually increasing decay rate scheme as remedies. Combining these methods and dropping momentum, we achieve comparable results to the published Adam regime in training the Transformer model on the WMT 2014 English-German machine translation task, while using very little auxiliary storage in the optimizer. Finally, we propose scaling the parameter updates based on the scale of the parameters themselves.

Retrieval-Augmented Generation (RAG) enables Large Language Models (LLMs) to generate grounded responses by leveraging external knowledge databases without altering model parameters. Although the absence of weight tuning prevents leakage via model parameters, it introduces the risk of inference adversaries exploiting retrieved documents in the model's context. Existing methods for membership inference and data extraction often rely on jailbreaking or carefully crafted unnatural queries, which can be easily detected or thwarted with query rewriting techniques common in RAG systems. In this work, we present Interrogation Attack (IA), a membership inference technique targeting documents in the RAG datastore. By crafting natural-text queries that are answerable only with the target document's presence, our approach demonstrates successful inference with just 30 queries while remaining stealthy; straightforward detectors identify adversarial prompts from existing methods up to ~76x more frequently than those generated by our attack. We observe a 2x improvement in TPR@1%FPR over prior inference attacks across diverse RAG configurations, all while costing less than $0.02 per document inference.

Few-Shot Learning (FSL) aims to improve a model's generalization capability in low data regimes. Recent FSL works have made steady progress via metric learning, meta learning, representation learning, etc. However, FSL remains challenging due to the following longstanding difficulties. 1) The seen and unseen classes are disjoint, resulting in a distribution shift between training and testing. 2) During testing, labeled data of previously unseen classes is sparse, making it difficult to reliably extrapolate from labeled support examples to unlabeled query examples. To tackle the first challenge, we introduce Hybrid Consistency Training to jointly leverage interpolation consistency, including interpolating hidden features, that imposes linear behavior locally and data augmentation consistency that learns robust embeddings against sample variations. As for the second challenge, we use unlabeled examples to iteratively normalize features and adapt prototypes, as opposed to commonly used one-time update, for more reliable prototype-based transductive inference. We show that our method generates a 2% to 5% improvement over the state-of-the-art methods with similar backbones on five FSL datasets and, more notably, a 7% to 8% improvement for more challenging cross-domain FSL.

Structural re-parameterization is a general training scheme for Convolutional Neural Networks (CNNs), which achieves performance improvement without increasing inference cost. As Vision Transformers (ViTs) are gradually surpassing CNNs in various visual tasks, one may question: if a training scheme specifically for ViTs exists that can also achieve performance improvement without increasing inference cost? Recently, Mixture-of-Experts (MoE) has attracted increasing attention, as it can efficiently scale up the capacity of Transformers at a fixed cost through sparsely activated experts. Considering that MoE can also be viewed as a multi-branch structure, can we utilize MoE to implement a ViT training scheme similar to structural re-parameterization? In this paper, we affirmatively answer these questions, with a new general training strategy for ViTs. Specifically, we decouple the training and inference phases of ViTs. During training, we replace some Feed-Forward Networks (FFNs) of the ViT with specially designed, more efficient MoEs that assign tokens to experts by random uniform partition, and perform Experts Weights Averaging (EWA) on these MoEs at the end of each iteration. After training, we convert each MoE into an FFN by averaging the experts, transforming the model back into original ViT for inference. We further provide a theoretical analysis to show why and how it works. Comprehensive experiments across various 2D and 3D visual tasks, ViT architectures, and datasets validate the effectiveness and generalizability of the proposed training scheme. Besides, our training scheme can also be applied to improve performance when fine-tuning ViTs. Lastly, but equally important, the proposed EWA technique can significantly improve the effectiveness of naive MoE in various 2D visual small datasets and 3D visual tasks.

Incrementally fine-tuning foundational models on new tasks or domains is now the de facto approach in NLP. A known pitfall of this approach is the catastrophic forgetting of prior knowledge that happens during fine-tuning. A common approach to alleviate such forgetting is to rehearse samples from prior tasks during fine-tuning. Several existing works assume a fixed memory buffer to store prior task examples, while relying on inferences (forward passes) with the model at hand for choosing examples for rehearsal from the buffer. However, given the increasing computational cost of model inference, and decreasing cost of data storage, we focus on the setting to rehearse samples with a fixed computational budget instead of a fixed memory budget. We propose a sampling scheme, \bf mix-cd, that prioritizes rehearsal of ``collateral damage'' samples, which are samples predicted correctly by the prior model but forgotten by the incrementally tuned one. The crux of our scheme is a procedure to efficiently estimate the density of collateral damage samples without incurring additional model inferences. Our approach is computationally efficient, easy to implement, and outperforms several leading continual learning methods in compute-constrained settings. All the code will be publicly available at https://github.com/jybai/mix-cd-rehearsal.

Fine-tuning large-scale Transformers has led to the explosion of many AI applications across Natural Language Processing and Computer Vision tasks. However, fine-tuning all pre-trained model parameters becomes impractical as the model size and number of tasks increase. Parameter-efficient transfer learning (PETL) methods aim to address these challenges. While effective in reducing the number of trainable parameters, PETL methods still require significant energy and computational resources to fine-tune. In this paper, we introduce REcurrent ADaption (READ) -- a lightweight and memory-efficient fine-tuning method -- to overcome the limitations of the current PETL approaches. Specifically, READ inserts a small RNN network alongside the backbone model so that the model does not have to back-propagate through the large backbone network. Through comprehensive empirical evaluation of the GLUE benchmark, we demonstrate READ can achieve a 56% reduction in the training memory consumption and an 84% reduction in the GPU energy usage while retraining high model quality compared to full-tuning. Additionally, the model size of READ does not grow with the backbone model size, making it a highly scalable solution for fine-tuning large Transformers.

We study the problem of learning optimal policy from a set of discrete treatment options using observational data. We propose a piecewise linear neural network model that can balance strong prescriptive performance and interpretability, which we refer to as the prescriptive ReLU network, or P-ReLU. We show analytically that this model (i) partitions the input space into disjoint polyhedra, where all instances that belong to the same partition receive the same treatment, and (ii) can be converted into an equivalent prescriptive tree with hyperplane splits for interpretability. We demonstrate the flexibility of the P-ReLU network as constraints can be easily incorporated with minor modifications to the architecture. Through experiments, we validate the superior prescriptive accuracy of P-ReLU against competing benchmarks. Lastly, we present examples of interpretable prescriptive trees extracted from trained P-ReLUs using a real-world dataset, for both the unconstrained and constrained scenarios.

Pre-trained LLMs have demonstrated substantial capabilities across a range of conventional natural language processing (NLP) tasks, such as summarization and entity recognition. In this paper, we explore the application of LLMs in the generation of high-quality protein sequences. Specifically, we adopt a suite of pre-trained LLMs, including Mistral-7B1, Llama-2-7B2, Llama-3-8B3, and gemma-7B4, to produce valid protein sequences. All of these models are publicly available.5 Unlike previous work in this field, our approach utilizes a relatively small dataset comprising 42,000 distinct human protein sequences. We retrain these models to process protein-related data, ensuring the generation of biologically feasible protein structures. Our findings demonstrate that even with limited data, the adapted models exhibit efficiency comparable to established protein-focused models such as ProGen varieties, ProtGPT2, and ProLLaMA, which were trained on millions of protein sequences. To validate and quantify the performance of our models, we conduct comparative analyses employing standard metrics such as pLDDT, RMSD, TM-score, and REU. Furthermore, we commit to making the trained versions of all four models publicly available, fostering greater transparency and collaboration in the field of computational biology.

Modern retrieval system often requires recomputing the representation of every piece of data in the gallery when updating to a better representation model. This process is known as backfilling and can be especially costly in the real world where the gallery often contains billions of samples. Recently, researchers have proposed the idea of Backward Compatible Training (BCT) where the new representation model can be trained with an auxiliary loss to make it backward compatible with the old representation. In this way, the new representation can be directly compared with the old representation, in principle avoiding the need for any backfilling. However, followup work shows that there is an inherent tradeoff where a backward compatible representation model cannot simultaneously maintain the performance of the new model itself. This paper reports our ``not-so-surprising'' finding that adding extra dimensions to the representation can help here. However, we also found that naively increasing the dimension of the representation did not work. To deal with this, we propose Backward-compatible Training with a novel Basis Transformation (BT^2). A basis transformation (BT) is basically a learnable set of parameters that applies an orthonormal transformation. Such a transformation possesses an important property whereby the original information contained in its input is retained in its output. We show in this paper how a BT can be utilized to add only the necessary amount of additional dimensions. We empirically verify the advantage of BT^2 over other state-of-the-art methods in a wide range of settings. We then further extend BT^2 to other challenging yet more practical settings, including significant change in model architecture (CNN to Transformers), modality change, and even a series of updates in the model architecture mimicking the evolution of deep learning models.

Large language models are powerful text processors and reasoners, but are still subject to limitations including outdated knowledge and hallucinations, which necessitates connecting them to the world. Retrieval-augmented large language models have raised extensive attention for grounding model generation on external knowledge. However, retrievers struggle to capture relevance, especially for queries with complex information needs. Recent work has proposed to improve relevance modeling by having large language models actively involved in retrieval, i.e., to improve retrieval with generation. In this paper, we show that strong performance can be achieved by a method we call Iter-RetGen, which synergizes retrieval and generation in an iterative manner. A model output shows what might be needed to finish a task, and thus provides an informative context for retrieving more relevant knowledge which in turn helps generate a better output in the next iteration. Compared with recent work which interleaves retrieval with generation when producing an output, Iter-RetGen processes all retrieved knowledge as a whole and largely preserves the flexibility in generation without structural constraints. We evaluate Iter-RetGen on multi-hop question answering, fact verification, and commonsense reasoning, and show that it can flexibly leverage parametric knowledge and non-parametric knowledge, and is superior to or competitive with state-of-the-art retrieval-augmented baselines while causing fewer overheads of retrieval and generation. We can further improve performance via generation-augmented retrieval adaptation.

Enhancing the instruction-following ability of Large Language Models (LLMs) primarily demands substantial instruction-tuning datasets. However, the sheer volume of these imposes a considerable computational burden and annotation cost. To investigate a label-efficient instruction tuning method that allows the model itself to actively sample subsets that are equally or even more effective, we introduce a self-evolving mechanism DiverseEvol. In this process, a model iteratively augments its training subset to refine its own performance, without requiring any intervention from humans or more advanced LLMs. The key to our data sampling technique lies in the enhancement of diversity in the chosen subsets, as the model selects new data points most distinct from any existing ones according to its current embedding space. Extensive experiments across three datasets and benchmarks demonstrate the effectiveness of DiverseEvol. Our models, trained on less than 8% of the original dataset, maintain or improve performance compared with finetuning on full data. We also provide empirical evidence to analyze the importance of diversity in instruction data and the iterative scheme as opposed to one-time sampling. Our code is publicly available at https://github.com/OFA-Sys/DiverseEvol.git.

Automated Program Repair (APR) has evolved significantly with the advent of Large Language Models (LLMs). Fine-tuning LLMs for program repair is a recent avenue of research, with many dimensions which have not been explored. Existing work mostly fine-tunes LLMs with naive code representations and is fundamentally limited in its ability to fine-tune larger LLMs. To address this problem, we propose RepairLLaMA, a novel program repair approach that combines 1) code representations for APR and 2) the state-of-the-art parameter-efficient LLM fine-tuning technique called LoRA. This results in RepairLLaMA producing a highly effective `program repair adapter' for fixing bugs with language models. Our experiments demonstrate the validity of both concepts. First, fine-tuning adapters with program repair specific code representations enables the model to use meaningful repair signals. Second, parameter-efficient fine-tuning helps fine-tuning to converge and contributes to the effectiveness of the repair adapter to fix data-points outside the fine-tuning data distribution. Overall, RepairLLaMA correctly fixes 125 Defects4J v2 and 82 HumanEval-Java bugs, outperforming all baselines.

This paper explores the limits of the current generation of large language models for program synthesis in general purpose programming languages. We evaluate a collection of such models (with between 244M and 137B parameters) on two new benchmarks, MBPP and MathQA-Python, in both the few-shot and fine-tuning regimes. Our benchmarks are designed to measure the ability of these models to synthesize short Python programs from natural language descriptions. The Mostly Basic Programming Problems (MBPP) dataset contains 974 programming tasks, designed to be solvable by entry-level programmers. The MathQA-Python dataset, a Python version of the MathQA benchmark, contains 23914 problems that evaluate the ability of the models to synthesize code from more complex text. On both datasets, we find that synthesis performance scales log-linearly with model size. Our largest models, even without finetuning on a code dataset, can synthesize solutions to 59.6 percent of the problems from MBPP using few-shot learning with a well-designed prompt. Fine-tuning on a held-out portion of the dataset improves performance by about 10 percentage points across most model sizes. On the MathQA-Python dataset, the largest fine-tuned model achieves 83.8 percent accuracy. Going further, we study the model's ability to engage in dialog about code, incorporating human feedback to improve its solutions. We find that natural language feedback from a human halves the error rate compared to the model's initial prediction. Additionally, we conduct an error analysis to shed light on where these models fall short and what types of programs are most difficult to generate. Finally, we explore the semantic grounding of these models by fine-tuning them to predict the results of program execution. We find that even our best models are generally unable to predict the output of a program given a specific input.

As a fundamental task in computational chemistry, retrosynthesis prediction aims to identify a set of reactants to synthesize a target molecule. Existing template-free approaches only consider the graph structures of the target molecule, which often cannot generalize well to rare reaction types and large molecules. Here, we propose T-Rex, a text-assisted retrosynthesis prediction approach that exploits pre-trained text language models, such as ChatGPT, to assist the generation of reactants. T-Rex first exploits ChatGPT to generate a description for the target molecule and rank candidate reaction centers based both the description and the molecular graph. It then re-ranks these candidates by querying the descriptions for each reactants and examines which group of reactants can best synthesize the target molecule. We observed that T-Rex substantially outperformed graph-based state-of-the-art approaches on two datasets, indicating the effectiveness of considering text information. We further found that T-Rex outperformed the variant that only use ChatGPT-based description without the re-ranking step, demonstrate how our framework outperformed a straightforward integration of ChatGPT and graph information. Collectively, we show that text generated by pre-trained language models can substantially improve retrosynthesis prediction, opening up new avenues for exploiting ChatGPT to advance computational chemistry. And the codes can be found at https://github.com/lauyikfung/T-Rex.

The recent boom of linear forecasting models questions the ongoing passion for architectural modifications of Transformer-based forecasters. These forecasters leverage Transformers to model the global dependencies over temporal tokens of time series, with each token formed by multiple variates of the same timestamp. However, Transformers are challenged in forecasting series with larger lookback windows due to performance degradation and computation explosion. Besides, the embedding for each temporal token fuses multiple variates that represent potential delayed events and distinct physical measurements, which may fail in learning variate-centric representations and result in meaningless attention maps. In this work, we reflect on the competent duties of Transformer components and repurpose the Transformer architecture without any modification to the basic components. We propose iTransformer that simply applies the attention and feed-forward network on the inverted dimensions. Specifically, the time points of individual series are embedded into variate tokens which are utilized by the attention mechanism to capture multivariate correlations; meanwhile, the feed-forward network is applied for each variate token to learn nonlinear representations. The iTransformer model achieves state-of-the-art on challenging real-world datasets, which further empowers the Transformer family with promoted performance, generalization ability across different variates, and better utilization of arbitrary lookback windows, making it a nice alternative as the fundamental backbone of time series forecasting. Code is available at this repository: https://github.com/thuml/iTransformer.

One of the most reliable ways to create deployable models for specialized tasks is to obtain an adequate amount of high-quality task-specific data. However, for specialized tasks, often such datasets do not exist. Existing methods address this by creating such data from large language models (LLMs) and then distilling such knowledge into smaller models. However, these methods are limited by the quality of the LLMs output, and tend to generate repetitive or incorrect data. In this work, we present Retrieval Based Distillation (ReBase), a method that first retrieves data from rich online sources and then transforms them into domain-specific data. This method greatly enhances data diversity. Moreover, ReBase generates Chain-of-Thought reasoning and distills the reasoning capacity of LLMs. We test our method on 4 benchmarks and results show that our method significantly improves performance by up to 7.8% on SQuAD, 1.37% on MNLI, and 1.94% on BigBench-Hard.

Large language models (LLMs) with one or more fine-tuning phases have become a necessary step to unlock various capabilities, enabling LLMs to follow natural language instructions or align with human preferences. However, it carries the risk of catastrophic forgetting during sequential training, the parametric knowledge or the ability learned in previous stages may be overwhelmed by incoming training data. In this paper, we find that by regularly resetting partial parameters, LLMs can restore some of the original knowledge. Inspired by this, we introduce Half Fine-Tuning (HFT) for LLMs, as a substitute for full fine-tuning (FFT), to mitigate the forgetting issues, where half of the parameters are selected to learn new tasks while the other half are frozen to remain previous knowledge. We provide a feasibility analysis from the perspective of optimization and interpret the parameter selection operation as a regularization term. Without changing the model architecture, HFT could be seamlessly integrated into existing fine-tuning frameworks. Extensive experiments and analysis on supervised fine-tuning, direct preference optimization, and continual learning consistently demonstrate the effectiveness, robustness, and efficiency of HFT. Compared with FFT, HFT not only significantly alleviates the forgetting problem, but also achieves the best performance in a series of downstream benchmarks, with an approximately 30% reduction in training time.

Large language models (LLMs) have demonstrated significant success in natural language processing (NLP) tasks and have shown promising results in other domains such as protein sequence generation. However, there remain salient differences between LLMs used for NLP, which effectively handle multiple tasks and are available in small sizes, and protein language models that are often specialized for specific tasks and only exist in larger sizes. In this work, we introduce two small protein language models, based on Llama-3-8B and Phi-3-mini, that are capable of both uncontrollable and controllable protein generation. For the uncontrollable generation task, our best model achieves an average pLDDT score of 69.75, demonstrating robust performance in generating viable protein structures. For the controllable generation task, in which the model generates proteins according to properties specified in the prompt, we achieve a remarkable average TM-Score of 0.84, indicating high structural similarity to target proteins. We chose 10 properties, including six classes of enzymes, to extend the capabilities of prior protein language models. Our approach utilizes the Low-Rank Adaptor (LoRA) technique, reducing trainable parameters to just 4% of the original model size, lowering computational requirements. By using a subset of the UniRef50 dataset and small models, we reduced the overall training time by 70% without compromising performance. Notably, Phi-3-mini reduced trainable parameters by 60%, decreasing training cost by 30% compared to Llama 3. Consequently, Phi-3 achieved a comparable TM-Score of 0.81, demonstrating that smaller models can match the performance of larger ones, like Llama 3. We also demonstrate the deployment of our models on the energy efficient ET-SoC-1 chip, significantly improving the TPS/W by a factor of 3.

Large language models (LLMs) have demonstrated remarkable capabilities in complex reasoning tasks. However, existing approaches mainly rely on imitation learning and struggle to achieve effective test-time scaling. While reinforcement learning (RL) holds promise for enabling self-exploration and learning from feedback, recent attempts yield only modest improvements in complex reasoning. In this paper, we present T1 to scale RL by encouraging exploration and understand inference scaling. We first initialize the LLM using synthesized chain-of-thought data that integrates trial-and-error and self-verification. To scale RL training, we promote increased sampling diversity through oversampling. We further employ an entropy bonus as an auxiliary loss, alongside a dynamic anchor for regularization to facilitate reward optimization. We demonstrate that T1 with open LLMs as its base exhibits inference scaling behavior and achieves superior performance on challenging math reasoning benchmarks. For example, T1 with Qwen2.5-32B as the base model outperforms the recent Qwen QwQ-32B-Preview model on MATH500, AIME2024, and Omni-math-500. More importantly, we present a simple strategy to examine inference scaling, where increased inference budgets directly lead to T1's better performance without any additional verification. We will open-source the T1 models and the data used to train them at https://github.com/THUDM/T1.

Automatic Speech Recognition (ASR) models need to be optimized for specific hardware before they can be deployed on devices. This can be done by tuning the model's hyperparameters or exploring variations in its architecture. Re-training and re-validating models after making these changes can be a resource-intensive task. This paper presents TODM (Train Once Deploy Many), a new approach to efficiently train many sizes of hardware-friendly on-device ASR models with comparable GPU-hours to that of a single training job. TODM leverages insights from prior work on Supernet, where Recurrent Neural Network Transducer (RNN-T) models share weights within a Supernet. It reduces layer sizes and widths of the Supernet to obtain subnetworks, making them smaller models suitable for all hardware types. We introduce a novel combination of three techniques to improve the outcomes of the TODM Supernet: adaptive dropouts, an in-place Alpha-divergence knowledge distillation, and the use of ScaledAdam optimizer. We validate our approach by comparing Supernet-trained versus individually tuned Multi-Head State Space Model (MH-SSM) RNN-T using LibriSpeech. Results demonstrate that our TODM Supernet either matches or surpasses the performance of manually tuned models by up to a relative of 3% better in word error rate (WER), while efficiently keeping the cost of training many models at a small constant.

Model editing is a growing area focused on updating the knowledge embedded within models. Among the various methodologies, ROME and MEMIT stand out as leading "locate-and-edit" model editing techniques. While MEMIT enables batched editing of memories, ROME is limited to changing one fact at a time. This paper introduces a unifying framework that brings ROME and MEMIT under a single conceptual umbrella, optimizing for the same goal, which we call the "preservation-memorization" objective. This objective aims to preserve the representations of certain selected vectors while memorizing the representations of new factual information. Specifically, ROME optimizes this objective using an equality constraint, whereas MEMIT employs a more flexible least-square constraint. In addition to making batched edits, MEMIT also edits the model at multiple layers. We disentangle the distribution of edits to multiple layers from the optimization objective of MEMIT and show that these edit-distribution algorithms should be considered separate entities worthy of their own line of research. Finally, we present EMMET - an Equality-constrained Mass Model Editing algorithm for Transformers, a new batched memory-editing algorithm. With EMMET, we present a closed form solution for the equality-constrained version of the preservation-memorization objective. We show that EMMET is able to perform batched-edits on par with MEMIT up to a batch-size of 256 and discuss the challenges in stabilizing EMMET. By articulating the "locate-and-edit" model editing algorithms under a simple conceptual framework of "preservation-memorization", we aim to bridge the gap between intuition and mathematics and hope to simplify the journey for future researchers in model editing.

Class-incremental learning is a challenging problem, where the goal is to train a model that can classify data from an increasing number of classes over time. With the advancement of vision-language pre-trained models such as CLIP, they demonstrate good generalization ability that allows them to excel in class-incremental learning with completely frozen parameters. However, further adaptation to downstream tasks by simply fine-tuning the model leads to severe forgetting. Most existing works with pre-trained models assume that the forgetting of old classes is uniform when the model acquires new knowledge. In this paper, we propose a method named Adaptive Representation Adjustment and Parameter Fusion (RAPF). During training for new data, we measure the influence of new classes on old ones and adjust the representations, using textual features. After training, we employ a decomposed parameter fusion to further mitigate forgetting during adapter module fine-tuning. Experiments on several conventional benchmarks show that our method achieves state-of-the-art results. Our code is available at https://github.com/linlany/RAPF.

For text-based AI systems to interact in the real world, causal reasoning is an essential skill. Since interventional data is costly to generate, we study to what extent an agent can learn causal reasoning from passive data. Specifically, we consider an axiomatic training setup where an agent learns from multiple demonstrations of a causal axiom (or rule), rather than incorporating the axiom as an inductive bias or inferring it from data values. A key question is whether the agent would learn to generalize from the axiom demonstrations to new scenarios. For example, if a transformer model is trained on demonstrations of the causal transitivity axiom over small graphs, would it generalize to applying the transitivity axiom over large graphs? Our results, based on a novel axiomatic training scheme, indicate that such generalization is possible. We consider the task of inferring whether a variable causes another variable, given a causal graph structure. We find that a 67 million parameter transformer model, when trained on linear causal chains (along with some noisy variations) can generalize well to new kinds of graphs, including longer causal chains, causal chains with reversed order, and graphs with branching; even when it is not explicitly trained for such settings. Our model performs at par (or even better) than many larger language models such as GPT-4, Gemini Pro, and Phi-3. Overall, our axiomatic training framework provides a new paradigm of learning causal reasoning from passive data that can be used to learn arbitrary axioms, as long as sufficient demonstrations can be generated.

Recent advancements in Large Language Models (LLMs) have expanded the horizons of natural language understanding and generation. Notably, the output control and alignment with the input of LLMs can be refined through instruction tuning. However, as highlighted in several studies, low-quality data in the training set are usually detrimental to instruction tuning, resulting in inconsistent or even misleading LLM outputs. We propose a novel method, termed "reflection-tuning," which addresses the problem by self-improvement and judging capabilities of LLMs. This approach utilizes an oracle LLM to recycle the original training data by introspecting and enhancing the quality of instructions and responses in the data. Extensive experiments on widely used evaluation benchmarks show that LLMs trained with our recycled data outperform those trained with existing datasets in various benchmarks.

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

One of the most striking findings in modern research on large language models (LLMs) is that scaling up compute during training leads to better results. However, less attention has been given to the benefits of scaling compute during inference. This survey focuses on these inference-time approaches. We explore three areas under a unified mathematical formalism: token-level generation algorithms, meta-generation algorithms, and efficient generation. Token-level generation algorithms, often called decoding algorithms, operate by sampling a single token at a time or constructing a token-level search space and then selecting an output. These methods typically assume access to a language model's logits, next-token distributions, or probability scores. Meta-generation algorithms work on partial or full sequences, incorporating domain knowledge, enabling backtracking, and integrating external information. Efficient generation methods aim to reduce token costs and improve the speed of generation. Our survey unifies perspectives from three research communities: traditional natural language processing, modern LLMs, and machine learning systems.

As an efficient alternative to conventional full finetuning, parameter-efficient finetuning (PEFT) is becoming the prevailing method to adapt pretrained language models. In PEFT, a lightweight module is learned on each dataset while the underlying pretrained language model remains unchanged, resulting in multiple compact modules representing diverse skills when applied to various domains and tasks. In this paper, we propose to compose these parameter-efficient modules through linear arithmetic operations in the weight space, thereby integrating different module capabilities. Specifically, we first define addition and negation operators for the module, and then further compose these two basic operators to perform flexible arithmetic. Our approach requires no additional training and enables highly flexible module composition. We apply different arithmetic operations to compose the parameter-efficient modules for (1) distribution generalization, (2) multi-tasking, (3) unlearning, and (4) domain transfer. Additionally, we extend our approach to detoxify Alpaca-LoRA, the latest instruction-tuned large language model based on LLaMA. Empirical results demonstrate that our approach produces new and effective parameter-efficient modules that significantly outperform existing ones across all settings.

Code translation is a crucial activity in the software development and maintenance process, and researchers have recently begun to focus on using pre-trained large language models (LLMs) for code translation. However, existing LLMs only learn the contextual semantics of code during pre-training, neglecting executability information closely related to the execution state of the code, which results in unguaranteed code executability and unreliable automated code translation. To address this issue, we propose ExeCoder, an LLM specifically designed for code translation, aimed at utilizing executability representations such as functional semantics, syntax structures, and variable dependencies to enhance the capabilities of LLMs in code translation. To evaluate the effectiveness of ExeCoder, we manually enhanced the widely used benchmark TransCoder-test, resulting in a benchmark called TransCoder-test-X that serves LLMs. Evaluation of TransCoder-test-X indicates that ExeCoder achieves state-of-the-art performance in code translation, surpassing existing open-source code LLMs by over 10.88% to 38.78% and over 27.44% to 42.97% on two metrics, and even outperforms the renowned closed-source LLM GPT-4o. Website: https://execoder4trans.github.io/

Despite the dominance and effectiveness of scaling, resulting in large networks with hundreds of billions of parameters, the necessity to train overparametrized models remains poorly understood, and alternative approaches do not necessarily make it cheaper to train high-performance models. In this paper, we explore low-rank training techniques as an alternative approach to training large neural networks. We introduce a novel method called ReLoRA, which utilizes low-rank updates to train high-rank networks. We apply ReLoRA to pre-training transformer language models with up to 350M parameters and demonstrate comparable performance to regular neural network training. Furthermore, we observe that the efficiency of ReLoRA increases with model size, making it a promising approach for training multi-billion-parameter networks efficiently. Our findings shed light on the potential of low-rank training techniques and their implications for scaling laws.

Test-time adaptation (TTA) intends to adapt the pretrained model to test distributions with only unlabeled test data streams. Most of the previous TTA methods have achieved great success on simple test data streams such as independently sampled data from single or multiple distributions. However, these attempts may fail in dynamic scenarios of real-world applications like autonomous driving, where the environments gradually change and the test data is sampled correlatively over time. In this work, we explore such practical test data streams to deploy the model on the fly, namely practical test-time adaptation (PTTA). To do so, we elaborate a Robust Test-Time Adaptation (RoTTA) method against the complex data stream in PTTA. More specifically, we present a robust batch normalization scheme to estimate the normalization statistics. Meanwhile, a memory bank is utilized to sample category-balanced data with consideration of timeliness and uncertainty. Further, to stabilize the training procedure, we develop a time-aware reweighting strategy with a teacher-student model. Extensive experiments prove that RoTTA enables continual testtime adaptation on the correlatively sampled data streams. Our method is easy to implement, making it a good choice for rapid deployment. The code is publicly available at https://github.com/BIT-DA/RoTTA

Temporal Logic (TL) can be used to rigorously specify complex high-level specification for systems in many engineering applications. The translation between natural language (NL) and TL has been under-explored due to the lack of dataset and generalizable model across different application domains. In this paper, we propose an accurate and generalizable transformation framework of English instructions from NL to TL, exploring the use of Large Language Models (LLMs) at multiple stages. Our contributions are twofold. First, we develop a framework to create a dataset of NL-TL pairs combining LLMs and human annotation. We publish a dataset with 28K NL-TL pairs. Then, we finetune T5 models on the lifted versions (i.e., the specific Atomic Propositions (AP) are hidden) of the NL and TL. The enhanced generalizability originates from two aspects: 1) Usage of lifted NL-TL characterizes common logical structures, without constraints of specific domains. 2) Application of LLMs in dataset creation largely enhances corpus richness. We test the generalization of trained models on five varied domains. To achieve full NL-TL transformation, we either combine the lifted model with AP recognition task or do the further finetuning on each specific domain. During the further finetuning, our model achieves higher accuracy (>95%) using only <10% training data, compared with the baseline sequence to sequence (Seq2Seq) model.

The quality of finetuning data is crucial for aligning large language models (LLMs) with human values. Current methods to improve data quality are either labor-intensive or prone to factual errors caused by LLM hallucinations. This paper explores elevating the quality of existing instruction data to better align with human values, introducing a simple and effective approach named ReAlign, which reformats the responses of instruction data into a format that better aligns with pre-established criteria and the collated evidence. This approach minimizes human annotation, hallucination, and the difficulty in scaling, remaining orthogonal to existing alignment techniques. Experimentally, ReAlign significantly boosts the general alignment ability, math reasoning, factuality, and readability of the LLMs. Encouragingly, without introducing any additional data or advanced training techniques, and merely by reformatting the response, LLaMA-2-13B's mathematical reasoning ability on GSM8K can be improved from 46.77% to 56.63% in accuracy. Additionally, a mere 5% of ReAlign data yields a 67% boost in general alignment ability measured by the Alpaca dataset. This work highlights the need for further research into the science and mechanistic interpretability of LLMs. We have made the associated code and data publicly accessible to support future studies at https://github.com/GAIR-NLP/ReAlign.

Stepwise inference protocols, such as scratchpads and chain-of-thought, help language models solve complex problems by decomposing them into a sequence of simpler subproblems. Despite the significant gain in performance achieved via these protocols, the underlying mechanisms of stepwise inference have remained elusive. To address this, we propose to study autoregressive Transformer models on a synthetic task that embodies the multi-step nature of problems where stepwise inference is generally most useful. Specifically, we define a graph navigation problem wherein a model is tasked with traversing a path from a start to a goal node on the graph. Despite is simplicity, we find we can empirically reproduce and analyze several phenomena observed at scale: (i) the stepwise inference reasoning gap, the cause of which we find in the structure of the training data; (ii) a diversity-accuracy tradeoff in model generations as sampling temperature varies; (iii) a simplicity bias in the model's output; and (iv) compositional generalization and a primacy bias with in-context exemplars. Overall, our work introduces a grounded, synthetic framework for studying stepwise inference and offers mechanistic hypotheses that can lay the foundation for a deeper understanding of this phenomenon.

Human mathematicians are often good at recognizing modular and reusable theorems that make complex mathematical results within reach. In this paper, we propose a novel method called theoREm-from-prooF extrACTOR (REFACTOR) for training neural networks to mimic this ability in formal mathematical theorem proving. We show on a set of unseen proofs, REFACTOR is able to extract 19.6% of the theorems that humans would use to write the proofs. When applying the model to the existing Metamath library, REFACTOR extracted 16 new theorems. With newly extracted theorems, we show that the existing proofs in the MetaMath database can be refactored. The new theorems are used very frequently after refactoring, with an average usage of 733.5 times, and help shorten the proof lengths. Lastly, we demonstrate that the prover trained on the new-theorem refactored dataset proves more test theorems and outperforms state-of-the-art baselines by frequently leveraging a diverse set of newly extracted theorems. Code can be found at https://github.com/jinpz/refactor.

Automatic program repair (APR) is crucial to improve software reliability. Recently, neural machine translation (NMT) techniques have been used to fix software bugs automatically. While promising, these approaches have two major limitations. Their search space often does not contain the correct fix, and their search strategy ignores software knowledge such as strict code syntax. Due to these limitations, existing NMT-based techniques underperform the best template-based approaches. We propose CURE, a new NMT-based APR technique with three major novelties. First, CURE pre-trains a programming language (PL) model on a large software codebase to learn developer-like source code before the APR task. Second, CURE designs a new code-aware search strategy that finds more correct fixes by focusing on compilable patches and patches that are close in length to the buggy code. Finally, CURE uses a subword tokenization technique to generate a smaller search space that contains more correct fixes. Our evaluation on two widely-used benchmarks shows that CURE correctly fixes 57 Defects4J bugs and 26 QuixBugs bugs, outperforming all existing APR techniques on both benchmarks.

Fine-tuning large language models for different tasks can be costly and inefficient, and even methods that reduce the number of tuned parameters still require full gradient-based optimization. We propose HyperTuning, a novel approach to model adaptation that uses a hypermodel to generate task-specific parameters for a fixed downstream model. We demonstrate a simple setup for hypertuning with HyperT5, a T5-based hypermodel that produces soft prefixes or LoRA parameters for a frozen T5 model from few-shot examples. We train HyperT5 in two stages: first, hyperpretraining with a modified conditional language modeling objective that trains a hypermodel to generate parameters; second, multi-task fine-tuning (MTF) on a large number of diverse language tasks. We evaluate HyperT5 on P3, MetaICL and Super-NaturalInstructions datasets, and show that it can effectively generate parameters for unseen tasks. Moreover, we show that using hypermodel-generated parameters as initializations for further parameter-efficient fine-tuning improves performance. HyperTuning can thus be a flexible and efficient way to leverage large language models for diverse downstream applications.

Continual Learning (CL) involves training a machine learning model in a sequential manner to learn new information while retaining previously learned tasks without the presence of previous training data. Although there has been significant interest in CL, most recent CL approaches in computer vision have focused on convolutional architectures only. However, with the recent success of vision transformers, there is a need to explore their potential for CL. Although there have been some recent CL approaches for vision transformers, they either store training instances of previous tasks or require a task identifier during test time, which can be limiting. This paper proposes a new exemplar-free approach for class/task incremental learning called ConTraCon, which does not require task-id to be explicitly present during inference and avoids the need for storing previous training instances. The proposed approach leverages the transformer architecture and involves re-weighting the key, query, and value weights of the multi-head self-attention layers of a transformer trained on a similar task. The re-weighting is done using convolution, which enables the approach to maintain low parameter requirements per task. Additionally, an image augmentation-based entropic task identification approach is used to predict tasks without requiring task-ids during inference. Experiments on four benchmark datasets demonstrate that the proposed approach outperforms several competitive approaches while requiring fewer parameters.

This paper revisits datasets and evaluation criteria for Symbolic Regression, a task of expressing given data using mathematical equations, specifically focused on its potential for scientific discovery. Focused on a set of formulas used in the existing datasets based on Feynman Lectures on Physics, we recreate 120 datasets to discuss the performance of symbolic regression for scientific discovery (SRSD). For each of the 120 SRSD datasets, we carefully review the properties of the formula and its variables to design reasonably realistic sampling range of values so that our new SRSD datasets can be used for evaluating the potential of SRSD such as whether or not an SR method can (re)discover physical laws from such datasets. As an evaluation metric, we also propose to use normalized edit distances between a predicted equation and the ground-truth equation trees. While existing metrics are either binary or errors between the target values and an SR model's predicted values for a given input, normalized edit distances evaluate a sort of similarity between the ground-truth and predicted equation trees. We have conducted experiments on our new SRSD datasets using five state-of-the-art SR methods in SRBench and a simple baseline based on a recent Transformer architecture. The results show that we provide a more realistic performance evaluation and open up a new machine learning-based approach for scientific discovery. Our datasets and code repository are publicly available.

Complex reasoning is an impressive ability shown by large language models (LLMs). Most LLMs are skilled in deductive reasoning, such as chain-of-thought prompting or iterative tool-using to solve challenging tasks step-by-step. In this paper, we hope to focus on evaluating and teaching LLMs to conduct inductive reasoning, that is, LLMs are supposed to infer underlying rules by observing examples or sequential transformations. However, collecting large-scale and diverse human-generated inductive data is challenging. We focus on data synthesis in the code domain and propose a Case2Code task by exploiting the expressiveness and correctness of programs. Specifically, we collect a diverse set of executable programs, synthesize input-output transformations for each program, and force LLMs to infer the underlying code implementations based on the synthetic I/O cases. We first evaluate representative LLMs on the synthesized Case2Code task and demonstrate that the Case-to-code induction is challenging for LLMs. Then, we synthesize large-scale Case2Code training samples to train LLMs to perform inductive reasoning. Experimental results show that such induction training benefits not only in distribution Case2Code performance but also enhances various coding abilities of trained LLMs, demonstrating the great potential of learning inductive reasoning via synthetic data.

Diffusion models excel in generating images that closely resemble their training data but are also susceptible to data memorization, raising privacy, ethical, and legal concerns, particularly in sensitive domains such as medical imaging. We hypothesize that this memorization stems from the overparameterization of deep models and propose that regularizing model capacity during fine-tuning can mitigate this issue. Firstly, we empirically show that regulating the model capacity via Parameter-efficient fine-tuning (PEFT) mitigates memorization to some extent, however, it further requires the identification of the exact parameter subsets to be fine-tuned for high-quality generation. To identify these subsets, we introduce a bi-level optimization framework, MemControl, that automates parameter selection using memorization and generation quality metrics as rewards during fine-tuning. The parameter subsets discovered through MemControl achieve a superior tradeoff between generation quality and memorization. For the task of medical image generation, our approach outperforms existing state-of-the-art memorization mitigation strategies by fine-tuning as few as 0.019% of model parameters. Moreover, we demonstrate that the discovered parameter subsets are transferable to non-medical domains. Our framework is scalable to large datasets, agnostic to reward functions, and can be integrated with existing approaches for further memorization mitigation. To the best of our knowledge, this is the first study to empirically evaluate memorization in medical images and propose a targeted yet universal mitigation strategy. The code is available at https://github.com/Raman1121/Diffusion_Memorization_HPO.

Representation learning methods have revolutionized machine learning on networks by converting discrete network structures into continuous domains. However, dynamic networks that evolve over time pose new challenges. To address this, dynamic representation learning methods have gained attention, offering benefits like reduced learning time and improved accuracy by utilizing temporal information. T-batching is a valuable technique for training dynamic network models that reduces training time while preserving vital conditions for accurate modeling. However, we have identified a limitation in the training loss function used with t-batching. Through mathematical analysis, we propose two alternative loss functions that overcome these issues, resulting in enhanced training performance. We extensively evaluate the proposed loss functions on synthetic and real-world dynamic networks. The results consistently demonstrate superior performance compared to the original loss function. Notably, in a real-world network characterized by diverse user interaction histories, the proposed loss functions achieved more than 26.9% enhancement in Mean Reciprocal Rank (MRR) and more than 11.8% improvement in Recall@10. These findings underscore the efficacy of the proposed loss functions in dynamic network modeling.

Large language models (LLMs) have achieved impressive performance on code generation. However, for complex programming tasks, generating the correct solution in one go becomes challenging, thus some prior works have designed program repair approaches to improve code generation performance. In this work, we propose Self-Debugging, which teaches a large language model to debug its predicted program via few-shot demonstrations. In particular, we demonstrate that Self-Debugging can teach the large language model to perform rubber duck debugging; i.e., without any feedback on the code correctness or error messages, the model is able to identify its mistakes by explaining the generated code in natural language. Self-Debugging achieves the state-of-the-art performance on several code generation benchmarks, including the Spider dataset for text-to-SQL generation, TransCoder for C++-to-Python translation, and MBPP for text-to-Python generation. On the Spider benchmark where there are no unit tests to verify the correctness of predictions, Self-Debugging with code explanation consistently improves the baseline by 2-3%, and improves the prediction accuracy on problems of the hardest label by 9%. On TransCoder and MBPP where unit tests are available, Self-Debugging improves the baseline accuracy by up to 12%. Meanwhile, by leveraging feedback messages and reusing failed predictions, Self-Debugging notably improves sample efficiency, and can match or outperform baseline models that generate more than 10x candidate programs.

This paper describes the University of Sydney& JD's joint submission of the IWSLT 2021 low resource speech translation task. We participated in the Swahili-English direction and got the best scareBLEU (25.3) score among all the participants. Our constrained system is based on a pipeline framework, i.e. ASR and NMT. We trained our models with the officially provided ASR and MT datasets. The ASR system is based on the open-sourced tool Kaldi and this work mainly explores how to make the most of the NMT models. To reduce the punctuation errors generated by the ASR model, we employ our previous work SlotRefine to train a punctuation correction model. To achieve better translation performance, we explored the most recent effective strategies, including back translation, knowledge distillation, multi-feature reranking and transductive finetuning. For model structure, we tried auto-regressive and non-autoregressive models, respectively. In addition, we proposed two novel pre-train approaches, i.e. de-noising training and bidirectional training to fully exploit the data. Extensive experiments show that adding the above techniques consistently improves the BLEU scores, and the final submission system outperforms the baseline (Transformer ensemble model trained with the original parallel data) by approximately 10.8 BLEU score, achieving the SOTA performance.

We study recent research advances that improve large language models through efficient pre-training and scaling, and open datasets and tools. We combine these advances to introduce Cerebras-GPT, a family of open compute-optimal language models scaled from 111M to 13B parameters. We train Cerebras-GPT models on the Eleuther Pile dataset following DeepMind Chinchilla scaling rules for efficient pre-training (highest accuracy for a given compute budget). We characterize the predictable power-law scaling and compare Cerebras-GPT with other publicly-available models to show all Cerebras-GPT models have state-of-the-art training efficiency on both pre-training and downstream objectives. We describe our learnings including how Maximal Update Parameterization (muP) can further improve large model scaling, improving accuracy and hyperparameter predictability at scale. We release our pre-trained models and code, making this paper the first open and reproducible work comparing compute-optimal model scaling to models trained on fixed dataset sizes. Cerebras-GPT models are available on HuggingFace: https://huggingface.co/cerebras.

We investigate conditional adversarial networks as a general-purpose solution to image-to-image translation problems. These networks not only learn the mapping from input image to output image, but also learn a loss function to train this mapping. This makes it possible to apply the same generic approach to problems that traditionally would require very different loss formulations. We demonstrate that this approach is effective at synthesizing photos from label maps, reconstructing objects from edge maps, and colorizing images, among other tasks. Indeed, since the release of the pix2pix software associated with this paper, a large number of internet users (many of them artists) have posted their own experiments with our system, further demonstrating its wide applicability and ease of adoption without the need for parameter tweaking. As a community, we no longer hand-engineer our mapping functions, and this work suggests we can achieve reasonable results without hand-engineering our loss functions either.

Language models typically need to be trained or finetuned in order to acquire new knowledge, which involves updating their weights. We instead envision language models that can simply read and memorize new data at inference time, thus acquiring new knowledge immediately. In this work, we extend language models with the ability to memorize the internal representations of past inputs. We demonstrate that an approximate kNN lookup into a non-differentiable memory of recent (key, value) pairs improves language modeling across various benchmarks and tasks, including generic webtext (C4), math papers (arXiv), books (PG-19), code (Github), as well as formal theorems (Isabelle). We show that the performance steadily improves when we increase the size of memory up to 262K tokens. On benchmarks including code and mathematics, we find that the model is capable of making use of newly defined functions and theorems during test time.

Transfer learning from pretrained language models recently became the dominant approach for solving many NLP tasks. A common approach to transfer learning for multiple tasks that maximize parameter sharing trains one or more task-specific layers on top of the language model. In this paper, we present an alternative approach based on adversarial reprogramming, which extends earlier work on automatic prompt generation. Adversarial reprogramming attempts to learn task-specific word embeddings that, when concatenated to the input text, instruct the language model to solve the specified task. Using up to 25K trainable parameters per task, this approach outperforms all existing methods with up to 25M trainable parameters on the public leaderboard of the GLUE benchmark. Our method, initialized with task-specific human-readable prompts, also works in a few-shot setting, outperforming GPT-3 on two SuperGLUE tasks with just 32 training samples.

In this paper, we leverage low-level compiler intermediate representations (IR) to improve code translation. Traditional transpilers rely on syntactic information and handcrafted rules, which limits their applicability and produces unnatural-looking code. Applying neural machine translation (NMT) approaches to code has successfully broadened the set of programs on which one can get a natural-looking translation. However, they treat the code as sequences of text tokens, and still do not differentiate well enough between similar pieces of code which have different semantics in different languages. The consequence is low quality translation, reducing the practicality of NMT, and stressing the need for an approach significantly increasing its accuracy. Here we propose to augment code translation with IRs, specifically LLVM IR, with results on the C++, Java, Rust, and Go languages. Our method improves upon the state of the art for unsupervised code translation, increasing the number of correct translations by 11% on average, and up to 79% for the Java -> Rust pair with greedy decoding. We extend previous test sets for code translation, by adding hundreds of Go and Rust functions. Additionally, we train models with high performance on the problem of IR decompilation, generating programming source code from IR, and study using IRs as intermediary pivot for translation.

Tangent Model Composition (TMC) is a method to combine component models independently fine-tuned around a pre-trained point. Component models are tangent vectors to the pre-trained model that can be added, scaled, or subtracted to support incremental learning, ensembling, or unlearning. Component models are composed at inference time via scalar combination, reducing the cost of ensembling to that of a single model. TMC improves accuracy by 4.2% compared to ensembling non-linearly fine-tuned models at a 2.5x to 10x reduction of inference cost, growing linearly with the number of component models. Each component model can be forgotten at zero cost, with no residual effect on the resulting inference. When used for continual fine-tuning, TMC is not constrained by sequential bias and can be executed in parallel on federated data. TMC outperforms recently published continual fine-tuning methods almost uniformly on each setting -- task-incremental, class-incremental, and data-incremental -- on a total of 13 experiments across 3 benchmark datasets, despite not using any replay buffer. TMC is designed for composing models that are local to a pre-trained embedding, but could be extended to more general settings.

During Automated Program Repair (APR), it can be challenging to synthesize correct patches for real-world systems in general-purpose programming languages. Recent Large Language Models (LLMs) have been shown to be helpful "copilots" in assisting developers with various coding tasks, and have also been directly applied for patch synthesis. However, most LLMs treat programs as sequences of tokens, meaning that they are ignorant of the underlying semantics constraints of the target programming language. This results in plenty of statically invalid generated patches, impeding the practicality of the technique. Therefore, we propose Repilot, a framework to further copilot the AI "copilots" (i.e., LLMs) by synthesizing more valid patches during the repair process. Our key insight is that many LLMs produce outputs autoregressively (i.e., token by token), resembling human writing programs, which can be significantly boosted and guided through a Completion Engine. Repilot synergistically synthesizes a candidate patch through the interaction between an LLM and a Completion Engine, which 1) prunes away infeasible tokens suggested by the LLM and 2) proactively completes the token based on the suggestions provided by the Completion Engine. Our evaluation on a subset of the widely-used Defects4j 1.2 and 2.0 datasets shows that Repilot fixes 66 and 50 bugs, respectively, surpassing the best-performing baseline by 14 and 16 bugs fixed. More importantly, Repilot is capable of producing more valid and correct patches than the base LLM when given the same generation budget.

Tabular data (or tables) are the most widely used data format in machine learning (ML). However, ML models often assume the table structure keeps fixed in training and testing. Before ML modeling, heavy data cleaning is required to merge disparate tables with different columns. This preprocessing often incurs significant data waste (e.g., removing unmatched columns and samples). How to learn ML models from multiple tables with partially overlapping columns? How to incrementally update ML models as more columns become available over time? Can we leverage model pretraining on multiple distinct tables? How to train an ML model which can predict on an unseen table? To answer all those questions, we propose to relax fixed table structures by introducing a Transferable Tabular Transformer (TransTab) for tables. The goal of TransTab is to convert each sample (a row in the table) to a generalizable embedding vector, and then apply stacked transformers for feature encoding. One methodology insight is combining column description and table cells as the raw input to a gated transformer model. The other insight is to introduce supervised and self-supervised pretraining to improve model performance. We compare TransTab with multiple baseline methods on diverse benchmark datasets and five oncology clinical trial datasets. Overall, TransTab ranks 1.00, 1.00, 1.78 out of 12 methods in supervised learning, feature incremental learning, and transfer learning scenarios, respectively; and the proposed pretraining leads to 2.3% AUC lift on average over the supervised learning.

The drug development pipeline for a new compound can last 10-20 years and cost over 10 billion. Drug repurposing offers a more time- and cost-effective alternative. Computational approaches based on biomedical knowledge graph representations have recently yielded new drug repurposing hypotheses. In this study, we present a novel, disease-specific hypergraph representation learning technique to derive contextual embeddings of biological pathways of various lengths but that all start at any given drug and all end at the disease of interest. Further, we extend this method to multi-disease hypergraphs. To determine the repurposing potential of each of the 1,522 drugs, we derive drug-specific distributions of cosine similarity values and ultimately consider the median for ranking. Cosine similarity values are computed between (1) all biological pathways starting at the considered drug and ending at the disease of interest and (2) all biological pathways starting at drugs currently prescribed against that disease and ending at the disease of interest. We illustrate our approach with Alzheimer's disease (AD) and two of its risk factors: hypertension (HTN) and type 2 diabetes (T2D). We compare each drug's rank across four hypergraph settings (single- or multi-disease): AD only, AD + HTN, AD + T2D, and AD + HTN + T2D. Notably, our framework led to the identification of two promising drugs whose repurposing potential was significantly higher in hypergraphs combining two diseases: dapagliflozin (antidiabetic; moved up, from top 32% to top 7%, across all considered drugs) and debrisoquine (antihypertensive; moved up, from top 76% to top 23%). Our approach serves as a hypothesis generation tool, to be paired with a validation pipeline relying on laboratory experiments and semi-automated parsing of the biomedical literature.

We introduce Transfusion, a recipe for training a multi-modal model over discrete and continuous data. Transfusion combines the language modeling loss function (next token prediction) with diffusion to train a single transformer over mixed-modality sequences. We pretrain multiple Transfusion models up to 7B parameters from scratch on a mixture of text and image data, establishing scaling laws with respect to a variety of uni- and cross-modal benchmarks. Our experiments show that Transfusion scales significantly better than quantizing images and training a language model over discrete image tokens. By introducing modality-specific encoding and decoding layers, we can further improve the performance of Transfusion models, and even compress each image to just 16 patches. We further demonstrate that scaling our Transfusion recipe to 7B parameters and 2T multi-modal tokens produces a model that can generate images and text on a par with similar scale diffusion models and language models, reaping the benefits of both worlds.

Averaging the parameters of models that have the same architecture and initialization can provide a means of combining their respective capabilities. In this paper, we take the perspective that this "merging" operation can be seen as choosing parameters that approximately maximize the joint likelihood of the posteriors of the models' parameters. Computing a simple average of the models' parameters therefore corresponds to making an isotropic Gaussian approximation to their posteriors. We develop an alternative merging procedure based on the Laplace approximation where we approximate each model's posterior as a Gaussian distribution whose precision matrix corresponds to its Fisher information. We first show that our "Fisher merging" technique provides a performance boost in settings where simple parameter averaging is currently used -- specifically, robust fine-tuning and model ensembling. Then, we compare merging to standard gradient-based transfer learning and demonstrate that merging enables a fundamentally different method for transferring capabilities across models. Specifically, we show that Fisher merging is competitive with gradient-based transfer learning approaches (while being significantly cheaper) in intermediate-task training and domain-adaptive pre-training. We also show that our merging procedure makes it possible to combine models in previously unexplored ways. We release our code to facilitate future research into methods for merging models.

Model pruning is an effective approach for compressing large language models. However, this process often leads to significant degradation of model capabilities. While post-training techniques such as instruction tuning are commonly employed to recover model performance, existing methods often overlook the uneven deterioration of model capabilities and incur high computational costs. Moreover, some instruction data irrelevant to model capability recovery may introduce negative effects. To address these challenges, we propose the Post-training dAta Selection method for Efficient pruned large language model Recovery (PASER). PASER aims to identify instructions where model capabilities are most severely compromised within a certain recovery data budget. Our approach first applies manifold learning and spectral clustering to group recovery data in the semantic space, revealing capability-specific instruction sets. We then adaptively allocate the data budget to different clusters based on the degrees of model capability degradation. In each cluster, we prioritize data samples where model performance has declined dramatically. To mitigate potential negative transfer, we also detect and filter out conflicting or irrelevant recovery data. Extensive experiments demonstrate that PASER significantly outperforms conventional baselines, effectively recovering the general capabilities of pruned LLMs while utilizing merely 4\%-20\% of the original post-training data.

Hyperparameter tuning of deep learning models can lead to order-of-magnitude performance gains for the same amount of compute. Despite this, systematic tuning is uncommon, particularly for large models, which are expensive to evaluate and tend to have many hyperparameters, necessitating difficult judgment calls about tradeoffs, budgets, and search bounds. To address these issues and propose a practical method for robustly tuning large models, we present Cost-Aware Pareto Region Bayesian Search (CARBS), a Bayesian optimization algorithm that performs local search around the performance-cost Pareto frontier. CARBS does well even in unbounded search spaces with many hyperparameters, learns scaling relationships so that it can tune models even as they are scaled up, and automates much of the "black magic" of tuning. Among our results, we effectively solve the entire ProcGen benchmark just by tuning a simple baseline (PPO, as provided in the original ProcGen paper). We also reproduce the model size vs. training tokens scaling result from the Chinchilla project (Hoffmann et al. 2022), while simultaneously discovering scaling laws for every other hyperparameter, via an easy automated process that uses significantly less compute and is applicable to any deep learning problem (not just language models).

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences where reproducibility is crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably biased task to fine-tune them on domain-specific literature and data. Here we introduce LLaMP, a multimodal retrieval-augmented generation (RAG) framework of multiple data-aware reasoning-and-acting (ReAct) agents that dynamically interact with computational and experimental data on Materials Project (MP). Without fine-tuning, LLaMP demonstrates an ability to comprehend and integrate various modalities of materials science concepts, fetch relevant data stores on the fly, process higher-order data (such as crystal structures and elastic tensors), and summarize multi-step procedures for solid-state synthesis. We show that LLaMP effectively corrects errors in GPT-3.5's intrinsic knowledge, reducing a 5.21% MAPE on frequently-documented bandgaps and a significant 1103.54% MAPE on formation energies -- errors that GPT-3.5 seems to derive from mixed data sources. Additionally, LLaMP substantially reduces the hallucinated volumetric strain in a diamond cubic silicon structure from 66.3% to 0. The proposed framework offers an intuitive and nearly hallucination-free approach to exploring materials informatics and establishes a pathway for knowledge distillation and fine-tuning other language models. We envision the framework as a valuable component for scientific hypotheses and a foundation for future autonomous laboratories where multiple LLM agents communicate and cooperate with robotics to drive material synthesis and chemical reactions without hard-coded human logic and intervention.

We study the implications of the modeling choice to use a graph, instead of a hypergraph, to represent real-world interconnected systems whose constituent relationships are of higher order by nature. Such a modeling choice typically involves an underlying projection process that maps the original hypergraph onto a graph, and is common in graph-based analysis. While hypergraph projection can potentially lead to loss of higher-order relations, there exists very limited studies on the consequences of doing so, as well as its remediation. This work fills this gap by doing two things: (1) we develop analysis based on graph and set theory, showing two ubiquitous patterns of hyperedges that are root to structural information loss in all hypergraph projections; we also quantify the combinatorial impossibility of recovering the lost higher-order structures if no extra help is provided; (2) we still seek to recover the lost higher-order structures in hypergraph projection, and in light of (1)'s findings we propose to relax the problem into a learning-based setting. Under this setting, we develop a learning-based hypergraph reconstruction method based on an important statistic of hyperedge distributions that we find. Our reconstruction method is evaluated on 8 real-world datasets under different settings, and exhibits consistently good performance. We also demonstrate benefits of the reconstructed hypergraphs via use cases of protein rankings and link predictions.

We introduce meta-factorization, a theory that describes matrix decompositions as solutions of linear matrix equations: the projector and the reconstruction equation. Meta-factorization reconstructs known factorizations, reveals their internal structures, and allows for introducing modifications, as illustrated with SVD, QR, and UTV factorizations. The prospect of meta-factorization also provides insights into computational aspects of generalized matrix inverses and randomized linear algebra algorithms. The relations between the Moore-Penrose pseudoinverse, generalized Nystr\"{o}m method, and the CUR decomposition are revealed here as an illustration. Finally, meta-factorization offers hints on the structure of new factorizations and provides the potential of creating them.

Text-to-image diffusion models can be fine-tuned in custom domains to adapt to specific user preferences, but such unconstrained adaptability has also been utilized for illegal purposes, such as forging public figures' portraits and duplicating copyrighted artworks. Most existing work focuses on detecting the illegally generated contents, but cannot prevent or mitigate illegal adaptations of diffusion models. Other schemes of model unlearning and reinitialization, similarly, cannot prevent users from relearning the knowledge of illegal model adaptation with custom data. In this paper, we present FreezeAsGuard, a new technique that addresses these limitations and enables irreversible mitigation of illegal adaptations of diffusion models. The basic approach is that the model publisher selectively freezes tensors in pre-trained diffusion models that are critical to illegal model adaptations, to mitigate the fine-tuned model's representation power in illegal domains but minimize the impact on legal model adaptations in other domains. Such tensor freezing can be enforced via APIs provided by the model publisher for fine-tuning, can motivate users' adoption due to its computational savings. Experiment results with datasets in multiple domains show that FreezeAsGuard provides stronger power in mitigating illegal model adaptations of generating fake public figures' portraits, while having the minimum impact on model adaptation in other legal domains. The source code is available at: https://github.com/pittisl/FreezeAsGuard/

Autoregressive decoding limits the efficiency of transformers for Machine Translation (MT). The community proposed specific network architectures and learning-based methods to solve this issue, which are expensive and require changes to the MT model, trading inference speed at the cost of the translation quality. In this paper, we propose to address the problem from the point of view of decoding algorithms, as a less explored but rather compelling direction. We propose to reframe the standard greedy autoregressive decoding of MT with a parallel formulation leveraging Jacobi and Gauss-Seidel fixed-point iteration methods for fast inference. This formulation allows to speed up existing models without training or modifications while retaining translation quality. We present three parallel decoding algorithms and test them on different languages and models showing how the parallelization introduces a speedup up to 38% w.r.t. the standard autoregressive decoding and nearly 2x when scaling the method on parallel resources. Finally, we introduce a decoding dependency graph visualizer (DDGviz) that let us see how the model has learned the conditional dependence between tokens and inspect the decoding procedure.

Sequential learning paradigms pose challenges for gradient-based deep learning due to difficulties incorporating new data and retaining prior knowledge. While Gaussian processes elegantly tackle these problems, they struggle with scalability and handling rich inputs, such as images. To address these issues, we introduce a technique that converts neural networks from weight space to function space, through a dual parameterization. Our parameterization offers: (i) a way to scale function-space methods to large data sets via sparsification, (ii) retention of prior knowledge when access to past data is limited, and (iii) a mechanism to incorporate new data without retraining. Our experiments demonstrate that we can retain knowledge in continual learning and incorporate new data efficiently. We further show its strengths in uncertainty quantification and guiding exploration in model-based RL. Further information and code is available on the project website.

Can AI help automate human-easy but computer-hard data preparation tasks that burden data scientists, practitioners, and crowd workers? We answer this question by presenting RPT, a denoising auto-encoder for tuple-to-X models (X could be tuple, token, label, JSON, and so on). RPT is pre-trained for a tuple-to-tuple model by corrupting the input tuple and then learning a model to reconstruct the original tuple. It adopts a Transformer-based neural translation architecture that consists of a bidirectional encoder (similar to BERT) and a left-to-right autoregressive decoder (similar to GPT), leading to a generalization of both BERT and GPT. The pre-trained RPT can already support several common data preparation tasks such as data cleaning, auto-completion and schema matching. Better still, RPT can be fine-tuned on a wide range of data preparation tasks, such as value normalization, data transformation, data annotation, etc. To complement RPT, we also discuss several appealing techniques such as collaborative training and few-shot learning for entity resolution, and few-shot learning and NLP question-answering for information extraction. In addition, we identify a series of research opportunities to advance the field of data preparation.

Large language models show impressive results on few-shot NLP tasks. However, these models are memory and computation-intensive. Meta-training allows one to leverage smaller models for few-shot generalization in a domain-general and task-agnostic manner; however, these methods alone results in models that may not have sufficient parameterization or knowledge to adapt quickly to a large variety of tasks. To overcome this issue, we propose meta-training with demonstration retrieval, where we use a dense passage retriever to retrieve semantically similar labeled demonstrations to each example for more varied supervision. By separating external knowledge from model parameters, we can use meta-training to train parameter-efficient models that generalize well on a larger variety of tasks. We construct a meta-training set from UnifiedQA and CrossFit, and propose a demonstration bank based on UnifiedQA tasks. To our knowledge, our work is the first to combine retrieval with meta-training, to use DPR models to retrieve demonstrations, and to leverage demonstrations from many tasks simultaneously, rather than randomly sampling demonstrations from the training set of the target task. Our approach outperforms a variety of targeted parameter-efficient and retrieval-augmented few-shot methods on QA, NLI, and text classification tasks (including SQuAD, QNLI, and TREC). Our approach can be meta-trained and fine-tuned quickly on a single GPU.

Training state-of-the-art vision models has become prohibitively expensive for researchers and practitioners. For the sake of accessibility and resource reuse, it is important to focus on adapting these models to a variety of downstream scenarios. An interesting and practical paradigm is online test-time adaptation, according to which training data is inaccessible, no labelled data from the test distribution is available, and adaptation can only happen at test time and on a handful of samples. In this paper, we investigate how test-time adaptation methods fare for a number of pre-trained models on a variety of real-world scenarios, significantly extending the way they have been originally evaluated. We show that they perform well only in narrowly-defined experimental setups and sometimes fail catastrophically when their hyperparameters are not selected for the same scenario in which they are being tested. Motivated by the inherent uncertainty around the conditions that will ultimately be encountered at test time, we propose a particularly "conservative" approach, which addresses the problem with a Laplacian Adjusted Maximum-likelihood Estimation (LAME) objective. By adapting the model's output (not its parameters), and solving our objective with an efficient concave-convex procedure, our approach exhibits a much higher average accuracy across scenarios than existing methods, while being notably faster and have a much lower memory footprint. The code is available at https://github.com/fiveai/LAME.

Applying a pre-trained large model to downstream tasks is prohibitive under resource-constrained conditions. Recent dominant approaches for addressing efficiency issues involve adding a few learnable parameters to the fixed backbone model. This strategy, however, leads to more challenges in loading large models for downstream fine-tuning with limited resources. In this paper, we propose a novel method for increasing the parameter efficiency of pre-trained models by introducing an intermediate pre-training stage. To this end, we first employ low-rank approximation to compress the original large model and then devise a feature distillation module and a weight perturbation regularization module. These modules are specifically designed to enhance the low-rank model. In particular, we update only the low-rank model while freezing the backbone parameters during pre-training. This allows for direct and efficient utilization of the low-rank model for downstream fine-tuning tasks. The proposed method achieves both efficiencies in terms of required parameters and computation time while maintaining comparable results with minimal modifications to the backbone architecture. Specifically, when applied to three vision-only and one vision-language Transformer models, our approach often demonstrates a merely sim0.6 point decrease in performance while reducing the original parameter size by 1/3 to 2/3.

Transformers with linear recurrent modeling offer linear-time training and constant-memory inference. Despite their demonstrated efficiency and performance, pretraining such non-standard architectures from scratch remains costly and risky. The linearization of large language models (LLMs) transforms pretrained standard models into linear recurrent structures, enabling more efficient deployment. However, current linearization methods typically introduce additional feature map modules that require extensive fine-tuning and overlook the gating mechanisms used in state-of-the-art linear recurrent models. To address these issues, this paper presents Liger, short for Linearizing LLMs to gated recurrent structures. Liger is a novel approach for converting pretrained LLMs into gated linear recurrent models without adding extra parameters. It repurposes the pretrained key matrix weights to construct diverse gating mechanisms, facilitating the formation of various gated recurrent structures while avoiding the need to train additional components from scratch. Using lightweight fine-tuning with Low-Rank Adaptation (LoRA), Liger restores the performance of the linearized gated recurrent models to match that of the original LLMs. Additionally, we introduce Liger Attention, an intra-layer hybrid attention mechanism, which significantly recovers 93\% of the Transformer-based LLM at 0.02\% pre-training tokens during the linearization process, achieving competitive results across multiple benchmarks, as validated on models ranging from 1B to 8B parameters. Code is available at https://github.com/OpenSparseLLMs/Linearization.

Protolanguage reconstruction is central to historical linguistics. The comparative method, one of the most influential theoretical and methodological frameworks in the history of the language sciences, allows linguists to infer protoforms (reconstructed ancestral words) from their reflexes (related modern words) based on the assumption of regular sound change. Not surprisingly, numerous computational linguists have attempted to operationalize comparative reconstruction through various computational models, the most successful of which have been supervised encoder-decoder models, which treat the problem of predicting protoforms given sets of reflexes as a sequence-to-sequence problem. We argue that this framework ignores one of the most important aspects of the comparative method: not only should protoforms be inferable from cognate sets (sets of related reflexes) but the reflexes should also be inferable from the protoforms. Leveraging another line of research -- reflex prediction -- we propose a system in which candidate protoforms from a reconstruction model are reranked by a reflex prediction model. We show that this more complete implementation of the comparative method allows us to surpass state-of-the-art protoform reconstruction methods on three of four Chinese and Romance datasets.

Software engineers mainly write code by editing existing programs. In contrast, large language models (LLMs) autoregressively synthesize programs in a single pass. One explanation for this is the scarcity of open-sourced edit data. While high-quality instruction data for code synthesis is already scarce, high-quality edit data is even scarcer. To fill this gap, we develop a synthetic data generation algorithm called LintSeq. This algorithm refactors existing code into a sequence of code edits by using a linter to procedurally sample across the error-free insertions that can be used to sequentially write programs. It outputs edit sequences as text strings consisting of consecutive program diffs. To test LintSeq, we use it to refactor a dataset of instruction + program pairs into instruction + program-diff-sequence tuples. Then, we instruction finetune a series of smaller LLMs ranging from 2.6B to 14B parameters on both the re-factored and original versions of this dataset, comparing zero-shot performance on code synthesis benchmarks. We show that during repeated sampling, edit sequence finetuned models produce more diverse programs than baselines. This results in better inference-time scaling for benchmark coverage as a function of samples, i.e. the fraction of problems "pass@k" solved by any attempt given "k" tries. For example, on HumanEval pass@50, small LLMs finetuned on synthetic edit sequences are competitive with GPT-4 and outperform models finetuned on the baseline dataset by +20% (+/-3%) in absolute score. Finally, we also pretrain our own tiny LMs for code understanding. We show that finetuning tiny models on synthetic code edits results in state-of-the-art code synthesis for the on-device model class. Our 150M parameter edit sequence LM matches or outperforms code models with twice as many parameters, both with and without repeated sampling, including Codex and AlphaCode.

Fine-tuning large pre-trained models has become the de facto strategy for developing both task-specific and general-purpose machine learning systems, including developing models that are safe to deploy. Despite its clear importance, there has been minimal work that explains how fine-tuning alters the underlying capabilities learned by a model during pretraining: does fine-tuning yield entirely novel capabilities or does it just modulate existing ones? We address this question empirically in synthetic, controlled settings where we can use mechanistic interpretability tools (e.g., network pruning and probing) to understand how the model's underlying capabilities are changing. We perform an extensive analysis of the effects of fine-tuning in these settings, and show that: (i) fine-tuning rarely alters the underlying model capabilities; (ii) a minimal transformation, which we call a 'wrapper', is typically learned on top of the underlying model capabilities, creating the illusion that they have been modified; and (iii) further fine-tuning on a task where such hidden capabilities are relevant leads to sample-efficient 'revival' of the capability, i.e., the model begins reusing these capability after only a few gradient steps. This indicates that practitioners can unintentionally remove a model's safety wrapper merely by fine-tuning it on a, e.g., superficially unrelated, downstream task. We additionally perform analysis on language models trained on the TinyStories dataset to support our claims in a more realistic setup.

Parameter generation has struggled to scale up for a long time, significantly limiting its range of applications. In this study, we introduce Recurrent diffusion for large-scale Parameter Generation, called RPG. We first divide the trained parameters into non-overlapping parts, after which a recurrent model is proposed to learn their relationships. The recurrent model's outputs, as conditions, are then fed into a diffusion model to generate the neural network parameters. Using only a single GPU, recurrent diffusion enables us to generate popular vision and language models such as ConvNeXt-L and LoRA parameters of LLaMA-7B. Meanwhile, across various architectures and tasks, the generated parameters consistently perform comparable results over trained networks. Notably, our approach also shows the potential to generate models for handling unseen tasks, which largely increases the practicality of parameter generation. Our code is available https://github.com/NUS-HPC-AI-Lab/Recurrent-Parameter-Generation{here}.

Deep generative models are known to produce undesirable samples such as harmful content. Traditional mitigation methods include re-training from scratch, filtering, or editing; however, these are either computationally expensive or can be circumvented by third parties. In this paper, we take a different approach and study how to post-edit an already-trained conditional generative model so that it redacts certain conditionals that will, with high probability, lead to undesirable content. This is done by distilling the conditioning network in the models, giving a solution that is effective, efficient, controllable, and universal for a class of deep generative models. We conduct experiments on redacting prompts in text-to-image models and redacting voices in text-to-speech models. Our method is computationally light, leads to better redaction quality and robustness than baseline methods while still retaining high generation quality.

In this paper, we introduce a unified and generalist Biomedical Generative Pre-trained Transformer (BiomedGPT) model, which leverages self-supervision on large and diverse datasets to accept multi-modal inputs and perform a range of downstream tasks. Our experiments demonstrate that BiomedGPT delivers expansive and inclusive representations of biomedical data, outperforming the majority of preceding state-of-the-art models across five distinct tasks with 20 public datasets spanning over 15 unique biomedical modalities. Through the ablation study, we also showcase the efficacy of our multi-modal and multi-task pretraining approach in transferring knowledge to previously unseen data. Overall, our work presents a significant step forward in developing unified and generalist models for biomedicine, with far-reaching implications for improving healthcare outcomes.

The derivation of mathematical results in specialised fields using Large Language Models (LLMs) is an emerging research direction that can help identify models' limitations, and potentially support mathematical discovery. In this paper, we leverage a symbolic engine to generate derivations of equations at scale, and investigate the capabilities of LLMs when deriving goal equations from premises. Specifically, we employ in-context learning for GPT and fine-tune a range of T5 models to compare the robustness and generalisation of pre-training strategies to specialised models. Empirical results show that fine-tuned FLAN-T5-large (MathT5) outperforms GPT models on all static and out-of-distribution test sets in terms of absolute performance. However, an in-depth analysis reveals that the fine-tuned models are more sensitive to perturbations involving unseen symbols and (to a lesser extent) changes to equation structure. In addition, we analyse 1.7K equations and over 200 derivations to highlight common reasoning errors such as the inclusion of incorrect, irrelevant, and redundant equations, along with the tendency to skip derivation steps. Finally, we explore the suitability of existing metrics for evaluating mathematical derivations finding evidence that, while they capture general properties such as sensitivity to perturbations, they fail to highlight fine-grained reasoning errors and essential differences between models. Overall, this work demonstrates that training models on synthetic data can improve their mathematical capabilities beyond larger architectures.

Strong inductive biases enable learning from little data and help generalization outside of the training distribution. Popular neural architectures such as Transformers lack strong structural inductive biases for seq2seq NLP tasks on their own. Consequently, they struggle with systematic generalization beyond the training distribution, e.g. with extrapolating to longer inputs, even when pre-trained on large amounts of text. We show how a structural inductive bias can be efficiently injected into a seq2seq model by pre-training it to simulate structural transformations on synthetic data. Specifically, we inject an inductive bias towards Finite State Transducers (FSTs) into a Transformer by pre-training it to simulate FSTs given their descriptions. Our experiments show that our method imparts the desired inductive bias, resulting in improved systematic generalization and better few-shot learning for FST-like tasks. Our analysis shows that fine-tuned models accurately capture the state dynamics of the unseen underlying FSTs, suggesting that the simulation process is internalized by the fine-tuned model.

Class-incremental learning (CIL) aims to adapt to emerging new classes without forgetting old ones. Traditional CIL models are trained from scratch to continually acquire knowledge as data evolves. Recently, pre-training has achieved substantial progress, making vast pre-trained models (PTMs) accessible for CIL. Contrary to traditional methods, PTMs possess generalizable embeddings, which can be easily transferred. In this work, we revisit CIL with PTMs and argue that the core factors in CIL are adaptivity for model updating and generalizability for knowledge transferring. 1) We first reveal that frozen PTM can already provide generalizable embeddings for CIL. Surprisingly, a simple baseline (SimpleCIL) which continually sets the classifiers of PTM to prototype features can beat state-of-the-art even without training on the downstream task. 2) Due to the distribution gap between pre-trained and downstream datasets, PTM can be further cultivated with adaptivity via model adapting. We propose ADapt And Merge (ADAM), which aggregates the embeddings of PTM and adapted models for classifier construction. ADAM is a general framework that can be orthogonally combined with any parameter-efficient tuning method, which holds the advantages of PTM's generalizability and adapted model's adaptivity. 3) Additionally, we find previous benchmarks are unsuitable in the era of PTM due to data overlapping and propose four new benchmarks for assessment, namely ImageNet-A, ObjectNet, OmniBenchmark, and VTAB. Extensive experiments validate the effectiveness of ADAM with a unified and concise framework.

Prompt tuning, which only tunes continuous prompts with a frozen language model, substantially reduces per-task storage and memory usage at training. However, in the context of NLU, prior work reveals that prompt tuning does not perform well for normal-sized pretrained models. We also find that existing methods of prompt tuning cannot handle hard sequence labeling tasks, indicating a lack of universality. We present a novel empirical finding that properly optimized prompt tuning can be universally effective across a wide range of model scales and NLU tasks. It matches the performance of finetuning while having only 0.1%-3% tuned parameters. Our method P-Tuning v2 is an implementation of Deep Prompt Tuning li2021prefix,qin2021learning optimized and adapted for NLU. Given the universality and simplicity of P-Tuning v2, we believe it can serve as an alternative to finetuning and a strong baseline for future research.Our code and data are released at https://github.com/THUDM/P-tuning-v2.

Large language models (LLMs) for code have become indispensable in various domains, including code generation, reasoning tasks and agent systems.While open-access code LLMs are increasingly approaching the performance levels of proprietary models, high-quality code LLMs suitable for rigorous scientific investigation, particularly those with reproducible data processing pipelines and transparent training protocols, remain limited. The scarcity is due to various challenges, including resource constraints, ethical considerations, and the competitive advantages of keeping models advanced. To address the gap, we introduce OpenCoder, a top-tier code LLM that not only achieves performance comparable to leading models but also serves as an ``open cookbook'' for the research community. Unlike most prior efforts, we release not only model weights and inference code, but also the reproducible training data, complete data processing pipeline, rigorous experimental ablation results, and detailed training protocols for open scientific research. Through this comprehensive release, we identify the key ingredients for building a top-tier code LLM: (1) code optimized heuristic rules for data cleaning and methods for data deduplication, (2) recall of text corpus related to code and (3) high-quality synthetic data in both annealing and supervised fine-tuning stages. By offering this level of openness, we aim to broaden access to all aspects of a top-tier code LLM, with OpenCoder serving as both a powerful model and an open foundation to accelerate research, and enable reproducible advancements in code AI.

Can one inject new concepts into an already trained generative model, while respecting its existing structure and knowledge? We propose a new task - domain expansion - to address this. Given a pretrained generator and novel (but related) domains, we expand the generator to jointly model all domains, old and new, harmoniously. First, we note the generator contains a meaningful, pretrained latent space. Is it possible to minimally perturb this hard-earned representation, while maximally representing the new domains? Interestingly, we find that the latent space offers unused, "dormant" directions, which do not affect the output. This provides an opportunity: By "repurposing" these directions, we can represent new domains without perturbing the original representation. In fact, we find that pretrained generators have the capacity to add several - even hundreds - of new domains! Using our expansion method, one "expanded" model can supersede numerous domain-specific models, without expanding the model size. Additionally, a single expanded generator natively supports smooth transitions between domains, as well as composition of domains. Code and project page available at https://yotamnitzan.github.io/domain-expansion/.

When considering a model architecture, there are several ways to reduce its memory footprint. Historically, popular approaches included selecting smaller architectures and creating sparse networks through pruning. More recently, randomized parameter-sharing (RPS) methods have gained traction for model compression at start of training. In this paper, we comprehensively assess the trade-off between memory and accuracy across RPS, pruning techniques, and building smaller models. Our findings demonstrate that RPS, which is both data and model-agnostic, consistently outperforms/matches smaller models and all moderately informed pruning strategies, such as MAG, SNIP, SYNFLOW, and GRASP, across the entire compression range. This advantage becomes particularly pronounced in higher compression scenarios. Notably, even when compared to highly informed pruning techniques like Lottery Ticket Rewinding (LTR), RPS exhibits superior performance in high compression settings. This points out inherent capacity advantage that RPS enjoys over sparse models. Theoretically, we establish RPS as a superior technique in terms of memory-efficient representation when compared to pruning for linear models. This paper argues in favor of paradigm shift towards RPS based models. During our rigorous evaluation of RPS, we identified issues in the state-of-the-art RPS technique ROAST, specifically regarding stability (ROAST's sensitivity to initialization hyperparameters, often leading to divergence) and Pareto-continuity (ROAST's inability to recover the accuracy of the original model at zero compression). We provably address both of these issues. We refer to the modified RPS, which incorporates our improvements, as STABLE-RPS.

AutoML has demonstrated remarkable success in finding an effective neural architecture for a given machine learning task defined by a specific dataset and an evaluation metric. However, most present AutoML techniques consider each task independently from scratch, which requires exploring many architectures, leading to high computational cost. Here we propose AutoTransfer, an AutoML solution that improves search efficiency by transferring the prior architectural design knowledge to the novel task of interest. Our key innovation includes a task-model bank that captures the model performance over a diverse set of GNN architectures and tasks, and a computationally efficient task embedding that can accurately measure the similarity among different tasks. Based on the task-model bank and the task embeddings, we estimate the design priors of desirable models of the novel task, by aggregating a similarity-weighted sum of the top-K design distributions on tasks that are similar to the task of interest. The computed design priors can be used with any AutoML search algorithm. We evaluate AutoTransfer on six datasets in the graph machine learning domain. Experiments demonstrate that (i) our proposed task embedding can be computed efficiently, and that tasks with similar embeddings have similar best-performing architectures; (ii) AutoTransfer significantly improves search efficiency with the transferred design priors, reducing the number of explored architectures by an order of magnitude. Finally, we release GNN-Bank-101, a large-scale dataset of detailed GNN training information of 120,000 task-model combinations to facilitate and inspire future research.

Recent advancements in State Space Models (SSMs) have attracted significant interest, particularly in models optimized for parallel training and handling long-range dependencies. Architectures like Mamba have scaled to billions of parameters with selective SSM. To facilitate broader applications using Mamba, exploring its efficiency is crucial. While token reduction techniques offer a straightforward post-training strategy, we find that applying existing methods directly to SSMs leads to substantial performance drops. Through insightful analysis, we identify the reasons for this failure and the limitations of current techniques. In response, we propose a tailored, unified post-training token reduction method for SSMs. Our approach integrates token importance and similarity, thus taking advantage of both pruning and merging, to devise a fine-grained intra-layer token reduction strategy. Extensive experiments show that our method improves the average accuracy by 5.7% to 13.1% on six benchmarks with Mamba-2 compared to existing methods, while significantly reducing computational demands and memory requirements.

Domain adaptation (DA) aims to transfer knowledge from a fully labeled source to a scarcely labeled or totally unlabeled target under domain shift. Recently, semi-supervised learning-based (SSL) techniques that leverage pseudo labeling have been increasingly used in DA. Despite the competitive performance, these pseudo labeling methods rely heavily on the source domain to generate pseudo labels for the target domain and therefore still suffer considerably from source data bias. Moreover, class distribution bias in the target domain is also often ignored in the pseudo label generation and thus leading to further deterioration of performance. In this paper, we propose GeT that learns a non-bias target embedding distribution with high quality pseudo labels. Specifically, we formulate an online target generative classifier to induce the target distribution into distinctive Gaussian components weighted by their class priors to mitigate source data bias and enhance target class discriminability. We further propose a structure similarity regularization framework to alleviate target class distribution bias and further improve target class discriminability. Experimental results show that our proposed GeT is effective and achieves consistent improvements under various DA settings with and without class distribution bias. Our code is available at: https://lulusindazc.github.io/getproject/.

With the rapid development of large language models (LLMs), they are not only used as general-purpose AI assistants but are also customized through further fine-tuning to meet the requirements of different applications. A pivotal factor in the success of current LLMs is the alignment process. Current alignment methods, such as supervised fine-tuning (SFT) and reinforcement learning from human feedback (RLHF), focus on training-time alignment and are often complex and cumbersome to implement. Therefore, we develop InferAligner, a novel inference-time alignment method that utilizes cross-model guidance for harmlessness alignment. InferAligner utilizes safety steering vectors extracted from safety-aligned model to modify the activations of the target model when responding to harmful inputs, thereby guiding the target model to provide harmless responses. Experimental results show that our method can be very effectively applied to domain-specific models in finance, medicine, and mathematics, as well as to multimodal large language models (MLLMs) such as LLaVA. It significantly diminishes the Attack Success Rate (ASR) of both harmful instructions and jailbreak attacks, while maintaining almost unchanged performance in downstream tasks.

Computationally intensive decoding procedures--including search, reranking, and self-critique--can improve the quality of language model (LM) outputs in problems spanning code generation, numerical reasoning, and dialog. Existing work typically applies the same decoding procedure for every input to an LM. But not all inputs require the same amount of computation to process. Can we allocate decoding computation adaptively, using more resources to answer questions whose answers will be harder to compute? We present an approach that predicts the distribution of rewards given an input and computation budget, then allocates additional computation to inputs for which it is predicted to be most useful. We apply this approach in two decoding procedures: first, an adaptive best-of-k procedure that dynamically selects the number of samples to generate as input to a reranker; second, a routing procedure that dynamically responds to a query using a decoding procedure that is expensive but accurate, or one that is cheaper but less capable. Across a suite of programming, mathematics, and dialog tasks, we show that accurate computation-allocation procedures can be learned, and reduce computation by up to 50% at no cost to response quality, or improve quality by up to 10% at a fixed computational budget.