Transformer models exhibit in-context learning: the ability to accurately predict the response to a novel query based on illustrative examples in the input sequence, which contrasts with traditional in-weights learning of query-output relationships. What aspects of the training data distribution and architecture favor in-context vs in-weights learning? Recent work has shown that specific distributional properties inherent in language, such as burstiness, large dictionaries and skewed rank-frequency distributions, control the trade-off or simultaneous appearance of these two forms of learning. We first show that these results are recapitulated in a minimal attention-only network trained on a simplified dataset. In-context learning (ICL) is driven by the abrupt emergence of an induction head, which subsequently competes with in-weights learning. By identifying progress measures that precede in-context learning and targeted experiments, we construct a two-parameter model of an induction head which emulates the full data distributional dependencies displayed by the attention-based network. A phenomenological model of induction head formation traces its abrupt emergence to the sequential learning of three nested logits enabled by an intrinsic curriculum. We propose that the sharp transitions in attention-based networks arise due to a specific chain of multi-layer operations necessary to achieve ICL, which is implemented by nested nonlinearities sequentially learned during training.
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Deep Learning · Large Language Models
Retrieval augmentation addresses many critical problems in large language models such as hallucination, staleness, and privacy leaks.However, running retrieval-augmented language models (LMs) is slow and difficult to scale due to processing large amounts of retrieved text. We introduce binary token representations (BTR), which use 1-bit vectors to precompute every token in passages, significantly reducing computation during inference. Despite the potential loss of accuracy, our new calibration techniques and training objectives restore performance. Combined with offline and runtime compression, this only requires 127GB of disk space for encoding 3 billion tokens in Wikipedia.Our experiments show that on five knowledge-intensive NLP tasks, BTR accelerates state-of-the-art inference by up to 4x and reduces storage by over 100x while maintaining over 95% task performance. Our code is publicly available at https://github.com/csarron/BTR.
Deep Learning · Large Language Models
Modern language models can imitate complex patterns through few-shot learning, enabling them to complete challenging tasks without fine-tuning. However, imitation can also lead models to reproduce inaccuracies or harmful content if present in the context. We study harmful imitation through the lens of a model’s internal representations, and identify two related phenomena: overthinking and false induction heads. The first phenomenon, overthinking, appears when we decode predictions from intermediate layers, given correct vs. incorrect few-shot demonstrations. At early layers, both demonstrations induce similar model behavior, but the behavior diverges sharply at some “critical layer”, after which the accuracy given incorrect demonstrations progressively decreases. The second phenomenon, false induction heads, are a possible mechanistic cause of overthinking: these are heads in late layers that attend to and copy false information from previous demonstrations, and whose ablation reduces overthinking. Beyond scientific understanding, our results suggest that studying intermediate model computations could be a promising avenue for understanding and guarding against harmful model behaviors.
Applications · Computer Vision
We study the problem of procedure planning in instructional videos, which aims to make a goal-oriented sequence of action steps given partial visual state observations. The motivation of this problem is to learn a structured and plannable state and action space. Recent works succeeded in sequence modeling of steps with only sequence-level annotations accessible during training, which overlooked the roles of states in the procedures. In this work, we point out that State CHangEs MAtter (SCHEMA) for procedure planning in instructional videos. We aim to establish a more structured state space by investigating the causal relations between steps and states in procedures. Specifically, we explicitly represent each step as state changes and track the state changes in procedures. For step representation, we leveraged the commonsense knowledge in large language models (LLMs) to describe the state changes of steps via our designed chain-of-thought prompting. For state changes tracking, we align visual state observations with language state descriptions via cross-modal contrastive learning, and explicitly model the intermediate states of the procedure using LLM-generated state descriptions. Experiments on CrossTask, COIN, and NIV benchmark datasets demonstrate that our proposed SCHEMA model achieves state-of-the-art performance and obtains explainable visualizations.
Deep Learning · Large Language Models
We introduce an approach to evaluate language model (LM) agency using negotiation games. This approach better reflects real-world use cases and addresses some of the shortcomings of alternative LM benchmarks. Negotiation games enable us to study multi-turn, and cross-model interactions, modulate complexity, and side-step accidental evaluation data leakage. We use our approach to test six widely used and publicly accessible LMs, evaluating performance and alignment in both self-play and cross-play settings. Noteworthy findings include: (i) only closed-source models tested here were able to complete these tasks; (ii) cooperative bargaining games proved to be most challenging to the models; and (iii) even the most powerful models sometimes "lose" to weaker opponents.
Reinforcement Learning · Multi-agent
In numerous artificial intelligence applications, the collaborative efforts of multiple intelligent agents are imperative for the successful attainment of target objectives. To enhance coordination among these agents, a distributed communication framework is often employed. However, information sharing among all agents proves to be resource-intensive, while the adoption of a manually pre-defined communication architecture imposes limitations on inter-agent communication, thereby constraining the potential for collaborative efforts. In this study, we introduce a novel approach wherein we conceptualize the communication architecture among agents as a learnable graph. We formulate this problem as the task of determining the communication graph while enabling the architecture parameters to update normally, thus necessitating a bi-level optimization process. Utilizing continuous relaxation of the graph representation and incorporating attention units, our proposed approach, CommFormer, efficiently optimizes the communication graph and concurrently refines architectural parameters through gradient descent in an end-to-end manner. Extensive experiments on a variety of cooperative tasks substantiate the robustness of our model across diverse cooperative scenarios, where agents are able to develop more coordinated and sophisticated strategies regardless of changes in the number of agents.
Deep Learning · Large Language Models
While training large language models (LLMs) from scratch can generate models with distinct functionalities and strengths, it comes at significant costs and may result in redundant capabilities. Alternatively, a cost-effective and compelling approach is to merge existing pre-trained LLMs into a more potent model. However, due to the varying architectures of these LLMs, directly blending their weights is impractical. In this paper, we introduce the notion of knowledge fusion for LLMs, aimed at combining the capabilities of existing LLMs and transferring them into a single LLM. By leveraging the generative distributions of source LLMs, we externalize their collective knowledge and unique strengths, thereby potentially elevating the capabilities of the target model beyond those of any individual source LLM. We validate our approach using three popular LLMs with different architectures—Llama-2, MPT, and OpenLLaMA—across various benchmarks and tasks. Our findings confirm that the fusion of LLMs can improve the performance of the target model across a range of capabilities such as reasoning, commonsense, and code generation. Our code, model weights, and data are public at \url{https://github.com/fanqiwan/FuseLLM}.
Optimization · Learning for Optimization
By employing neural networks (NN) to learn input-solution mappings and passing a new input through the learned mapping to obtain a solution instantly, recent studies have shown remarkable speed improvements over iterative algorithms for solving optimization problems. Meanwhile, they also highlight methodological challenges to be addressed. In particular, general non-convex problems often present multiple optimal solutions for identical inputs, signifying a complex, multi-valued input-solution mapping. Conventional learning techniques, primarily tailored to learn single-valued mappings, struggle to train NNs to accurately decipher multi-valued ones, leading to inferior solutions. We address this fundamental issue by developing a generative learning approach using a rectified flow (RectFlow) model built upon ordinary differential equations. In contrast to learning input-solution mapping, we learn the mapping from input to solution distribution, exploiting the universal approximation capability of the RectFlow model. Upon receiving a new input, we employ the trained RectFlow model to sample high-quality solutions from the input-dependent distribution it has learned. Our approach outperforms conceivable GAN and Diffusion models in terms of training stability and run-time complexity. We provide a detailed characterization of the optimality loss and runtime complexity associated with our generative approach. Simulation results for solving non-convex problems show that our method achieves significantly better solution optimality than recent NN schemes, with comparable feasibility and speedup performance.
Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning
Transfer learning is a crucial technique for handling a small amount of data that is potentially related to other abundant data. However, most of the existing methods are focused on classification tasks using images and language datasets. Therefore, in order to expand the transfer learning scheme to regression tasks, we propose a novel transfer technique based on differential geometry, namely the Geometrically Aligned Transfer Encoder (${\it GATE}$). In this method, we interpret the latent vectors from the model to exist on a Riemannian curved manifold. We find a proper diffeomorphism between pairs of tasks to ensure that every arbitrary point maps to a locally flat coordinate in the overlapping region, allowing the transfer of knowledge from the source to the target data. This also serves as an effective regularizer for the model to behave in extrapolation regions. In this article, we demonstrate that ${\it GATE}$ outperforms conventional methods and exhibits stable behavior in both the latent space and extrapolation regions for various molecular graph datasets.
Social Aspects · Fairness, Equity, Justice and Safety
Group robustness has become a major concern in machine learning (ML) as conventional training paradigms were found to produce high error on minority groups. Without explicit group annotations, proposed solutions rely on heuristics that aim to identify and then amplify the minority samples during training. In our work, we first uncover a critical shortcoming of these methods: an inability to distinguish legitimate minority samples from poison samples in the training set. By amplifying poison samples as well, group robustness methods inadvertently boost the success rate of an adversary---e.g., from 0\% without amplification to over 97\% with it. Notably, we supplement our empirical evidence with an impossibility result proving this inability of a standard heuristic under some assumptions. Moreover, scrutinizing recent poisoning defenses both in centralized and federated learning, we observe that they rely on similar heuristics to identify which samples should be eliminated as poisons. In consequence, minority samples are eliminated along with poisons, which damages group robustness---e.g., from 55\% without the removal of the minority samples to 41\% with it. Finally, as they pursue opposing goals using similar heuristics, our attempt to alleviate the trade-off by combining group robustness methods and poisoning defenses falls short. By exposing this tension, we also hope to highlight how benchmark-driven ML scholarship can obscure the trade-offs among different metrics with potentially detrimental consequences.
Reinforcement Learning · Online
In multi-task reinforcement learning (RL) under Markov decision processes (MDPs), the presence of shared latent structures among multiple MDPs has been shown to yield significant benefits to the sample efficiency compared to single-task RL. In this paper, we investigate whether such a benefit can extend to more general sequential decision making problems such as predictive state representations (PSRs). The main challenge here is that the large and complex model space makes it hard to identify what types of common latent structure of multi-task PSRs can reduce the model complexity and improve sample efficiency.To this end, we posit a joint model class for tasks and use the notion of $\eta$-bracketing number to quantify its complexity; this number also serves as a general metric to capture the similarity of tasks and thus determines the benefit of multi-task over single-task RL. We first study upstream multi-task learning over PSRs, in which all tasks share the same observation and action spaces. We propose a provably efficient algorithm UMT-PSR for finding near-optimal policies for all PSRs, and demonstrate that the advantage of multi-task learning manifests if the joint model class of PSRs has a smaller $\eta$-bracketing number compared to that of individual single-task learning. We further investigate downstream learning, in which the agent needs to learn a new target task that shares some commonalities with the upstream tasks via a similarity constraint. By exploiting the learned PSRs from the upstream, we develop a sample-efficient algorithm that provably finds a near-optimal policy. Upon specialization to some examples with small $\eta$-bracketing numbers, our results further highlight the benefit compared to directly learning a single-task PSR.
Deep Learning · Large Language Models
Knowledge distillation (KD) is widely used for compressing a teacher model to reduce its inference cost and memory footprint, by training a smaller student model. However, current KD methods for auto-regressive sequence models suffer from distribution mismatch between output sequences seen during training and those generated by the student during inference. To address this issue, we introduce Generalized Knowledge Distillation (GKD). Instead of solely relying on a fixed set of output sequences, GKD trains the student on its self-generated output sequences by leveraging feedback from the teacher on such sequences. Unlike supervised KD approaches, GKD also offers the flexibility to employ alternative loss functions between the student and teacher, which can be useful when the student lacks the expressivity to mimic the teacher's distribution. Furthermore, GKD facilitates the seamless integration of distillation with RL fine-tuning (RLHF). We demonstrate the efficacy of GKD for distilling auto-regressive T5 language models on summarization, translation, and arithmetic reasoning tasks.
Applications · Language, Speech and Dialog
Despite the remarkable advances in language modeling, current mainstream decoding methods still struggle to generate texts that align with human texts across different aspects. In particular, sampling-based methods produce less-repetitive texts which are often disjunctive in discourse, while search-based methods maintain topic coherence at the cost of increased repetition. Overall, these methods fall short in achieving holistic alignment across a broad range of aspects. In this work, we frame decoding from a language model as an optimization problem with the goal of strictly matching the expected performance with human texts measured by multiple metrics of desired aspects simultaneously. The resulting decoding distribution enjoys an analytical solution that scales the input language model distribution via a sequence-level energy function defined by these metrics. And most importantly, we prove that this induced distribution is guaranteed to improve the perplexity on human texts, which suggests a better approximation to the underlying distribution of human texts. To facilitate tractable sampling from this globally normalized distribution, we adopt the Sampling-Importance-Resampling technique. Experiments on various domains and model scales demonstrate the superiority of our method in metrics alignment with human texts and human evaluation over strong baselines.
Social Aspects · Privacy-preserving Statistics and Machine Learning
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Deep Learning · Large Language Models
Code Large Language Models (Code LLMs), such as StarCoder, have demonstrated remarkable performance in various code-related tasks. However, different from their counterparts in the general language modeling field, the technique of instruction fine-tuning remains relatively under-researched in this domain. In this paper, we present Code Evol-Instruct, a novel approach that adapts the Evol-Instruct method to the realm of code, enhancing Code LLMs to create novel models, WizardCoder. Through comprehensive experiments on five prominent code generation benchmarks, namely HumanEval, HumanEval+, MBPP, DS-1000, and MultiPL-E, our models showcase outstanding performance. They consistently outperform all other open-source Code LLMs by a significant margin. Remarkably, WizardCoder 15B even surpasses the well-known closed-source LLMs, including Anthropic's Claude and Google's Bard, on the HumanEval and HumanEval+ benchmarks. Additionally, WizardCoder 34B not only achieves a HumanEval score comparable to GPT3.5 (ChatGPT) but also surpasses it on the HumanEval+ benchmark. Furthermore, our preliminary exploration highlights the pivotal role of instruction complexity in achieving exceptional coding performance.
Deep Learning · Large Language Models
A remarkable ability of human beings resides in compositional reasoning, i.e., the capacity to make "infinite use of finite means". However, current large vision-language foundation models (VLMs) fall short of such compositional abilities due to their ``bag-of-words" behaviors and inability to construct words that correctly represent visual entities and the relations among the entities. To this end, we propose CoVLM, which can guide the LLM to explicitly compose visual entities and relationships among the text and dynamically communicate with the vision encoder and detection network to achieve vision-language communicative decoding. Specifically, we first devise a set of novel communication tokens for the LLM, for dynamic communication between the visual detection system and the language system. A communication token is generated by the LLM following a visual entity or a relation, to inform the detection network to propose regions that are relevant to the sentence generated so far. The proposed regions-of-interests (ROIs) are then fed back into the LLM for better language generation contingent on the relevant regions. The LLM is thus able to compose the visual entities and relationships through the communication tokens. The vision-to-language and language-to-vision communication are iteratively performed until the entire sentence is generated. Our framework seamlessly bridges the gap between visual perception and LLMs and outperforms previous VLMs by a large margin on compositional reasoning benchmarks (e.g., ~20% in HICO-DET mAP, ~14% in Cola top-1 accuracy, and ~3% on ARO top-1 accuracy). We also achieve state-of-the-art performances on traditional vision-language tasks such as referring expression comprehension and visual question answering.
Deep Learning · Large Language Models
Large language models (LLMs) have made impressive progress in natural language processing. These models rely on proper human instructions (or prompts) to generate suitable responses. However, the potential of LLMs are not fully harnessed by commonly-used prompting methods: many human-in-the-loop algorithms employ ad-hoc procedures for prompt selection; while auto prompt generation approaches are essentially searching all possible prompts randomly and inefficiently. We propose Evoke, an automatic prompt refinement framework. In Evoke, there are two instances of a same LLM: one as a reviewer (LLM-Reviewer), it scores the current prompt; the other as an author (LLM-Author), it edits the prompt by considering the edit history and the reviewer's feedback. Such an author-reviewer feedback loop ensures that the prompt is refined in each iteration. We further aggregate a data selection approach to Evoke, where only the hard samples are exposed to the LLM. The hard samples are more important because the LLM can develop deeper understanding of the tasks out of them, while the model may already know how to solve the easier cases. Experimental results show that Evoke significantly outperforms existing methods. For instance, in the challenging task of logical fallacy detection, Evoke scores above 80, while all other baseline methods struggle to reach 20.
Optimization · Large Scale, Parallel and Distributed
Gradient clipping is key mechanism that is essential to differentially private training techniques in Federated learning. Two popular strategies are per-sample clipping, which clips the mini-batch gradient, and per-update clipping, which clips each user's model update. However, there has not been a thorough theoretical analysis of these two clipping methods.In this work, we rigorously analyze the impact of these two clipping techniques on the convergence of a popular federated learning algorithm FedAvg under standard stochastic noise and gradient dissimilarity assumptions. We provide a convergence guarantee given any arbitrary clipping threshold. Specifically, we show that per-sample clipping is guaranteed to converge to the neighborhood of the stationary point, with the size dependent on the stochastic noise, gradient dissimilarity, and clipping threshold. In contrast, the convergence to the stationary point can be guaranteed with a sufficiently small stepsize in per-update clipping at the cost of more communication rounds. We further provide insights into understanding the impact of the improved convergence analysis in the differentially private setting.
Applications · Chemistry and Drug Discovery
The study of rigid protein-protein docking plays an essential role in a variety of tasks such as drug design and protein engineering. Recently, several learning-based methods have been proposed for the task, exhibiting much faster docking speed than those computational methods. In this paper, we propose a novel learning-based method called ElliDock, which predicts an elliptic paraboloid to represent the protein-protein docking interface. To be specific, our model estimates elliptic paraboloid interfaces for the two input proteins respectively, and obtains the roto-translation transformation for docking by making two interfaces coincide. By its design, ElliDock is independently equivariant with respect to arbitrary rotations/translations of the proteins, which is an indispensable property to ensure the generalization of the docking process. Experimental evaluations show that ElliDock achieves the fastest inference time among all compared methods, and outperforms state-of-the-art learning-based methods, like DiffDock-PP and Alphafold-Multimer, for particularly antibody-antigen docking.
Deep Learning · Self-Supervised Learning
Contrastive Learning (CL) has emerged as one of the most successful paradigms for unsupervised visual representation learning, yet it often depends on intensive manual data augmentations. With the rise of generative models, especially diffusion models, the ability to generate realistic images close to the real data distribution has been well recognized. These generated high-equality images have been successfully applied to enhance contrastive representation learning, a technique termed ``data inflation''. However, we find that the generated data (even from a good diffusion model like DDPM) may sometimes even harm contrastive learning. We investigate the causes behind this failure from the perspective of both data inflation and data augmentation. For the first time, we reveal the complementary roles that stronger data inflation should be accompanied by weaker augmentations, and vice versa. We also provide rigorous theoretical explanations for these phenomena via deriving its generalization bounds under data inflation. Drawing from these insights, we propose **Adaptive Inflation (AdaInf)**, a purely data-centric strategy without introducing any extra computation cost. On benchmark datasets, AdaInf can bring significant improvements for various contrastive learning methods. Notably, without using external data, AdaInf obtains 94.70% linear accuracy on CIFAR-10 with SimCLR, setting a new record that surpasses many sophisticated methods. Code is available at https://github.com/PKU-ML/adainf.