Martin Josifoski

Martin Josifoski, Marija Sakota, Maxime Peyrard et al.

Large language models (LLMs) have great potential for synthetic data generation. This work shows that useful data can be synthetically generated even for tasks that cannot be solved directly by LLMs: for problems with structured outputs, it is possible to prompt an LLM to perform the task in the reverse direction, by generating plausible input text for a target output structure. Leveraging this asymmetry in task difficulty makes it possible to produce large-scale, high-quality data for complex tasks. We demonstrate the effectiveness of this approach on closed information extraction, where collecting ground-truth data is challenging, and no satisfactory dataset exists to date. We synthetically generate a dataset of 1.8M data points, establish its superior quality compared to existing datasets in a human evaluation, and use it to finetune small models (220M and 770M parameters), termed SynthIE, that outperform the prior state of the art (with equal model size) by a substantial margin of 57 absolute points in micro-F1 and 79 points in macro-F1. Code, data, and models are available at https://github.com/epfl-dlab/SynthIE.

Martin Josifoski, Lars Klein, Maxime Peyrard et al.

Recent advances in artificial intelligence (AI) have produced highly capable and controllable systems. This creates unprecedented opportunities for structured reasoning as well as collaboration among multiple AI systems and humans. To fully realize this potential, it is essential to develop a principled way of designing and studying such structured interactions. For this purpose, we introduce the conceptual framework Flows. Flows are self-contained building blocks of computation, with an isolated state, communicating through a standardized message-based interface. This modular design simplifies the process of creating Flows by allowing them to be recursively composed into arbitrarily nested interactions and is inherently concurrency-friendly. Crucially, any interaction can be implemented using this framework, including prior work on AI-AI and human-AI interactions, prompt engineering schemes, and tool augmentation. We demonstrate the potential of Flows on competitive coding, a challenging task on which even GPT-4 struggles. Our results suggest that structured reasoning and collaboration substantially improve generalization, with AI-only Flows adding +21 and human-AI Flows adding +54 absolute points in terms of solve rate. To support rapid and rigorous research, we introduce the aiFlows library embodying Flows. The aiFlows library is available at https://github.com/epfl-dlab/aiflows. Data and Flows for reproducing our experiments are available at https://github.com/epfl-dlab/cc_flows.

Martin Josifoski, Maxime Peyrard, Frano Rajic et al.

A critical component of a successful language generation pipeline is the decoding algorithm. However, the general principles that should guide the choice of a decoding algorithm remain unclear. Previous works only compare decoding algorithms in narrow scenarios, and their findings do not generalize across tasks. We argue that the misalignment between the model's likelihood and the task-specific notion of utility is the key factor to understanding the effectiveness of decoding algorithms. To structure the discussion, we introduce a taxonomy of misalignment mitigation strategies (MMSs), providing a unifying view of decoding as a tool for alignment. The MMS taxonomy groups decoding algorithms based on their implicit assumptions about likelihood--utility misalignment, yielding general statements about their applicability across tasks. Specifically, by analyzing the correlation between the likelihood and the utility of predictions across a diverse set of tasks, we provide empirical evidence supporting the proposed taxonomy and a set of principles to structure reasoning when choosing a decoding algorithm. Crucially, our analysis is the first to relate likelihood-based decoding algorithms with algorithms that rely on external information, such as value-guided methods and prompting, and covers the most diverse set of tasks to date. Code, data, and models are available at https://github.com/epfl-dlab/understanding-decoding.

Alisia Lupidi, Bhavul Gauri, Thomas Simon Foster et al.

LLM agents hold significant promise for advancing scientific research. To accelerate this progress, we introduce AIRS-Bench (the AI Research Science Benchmark), a suite of 20 tasks sourced from state-of-the-art machine learning papers. These tasks span diverse domains, including language modeling, mathematics, bioinformatics, and time series forecasting. AIRS-Bench tasks assess agentic capabilities over the full research lifecycle -- including idea generation, experiment analysis and iterative refinement -- without providing baseline code. The AIRS-Bench task format is versatile, enabling easy integration of new tasks and rigorous comparison across different agentic frameworks. We establish baselines using frontier models paired with both sequential and parallel scaffolds. Our results show that agents exceed human SOTA in four tasks but fail to match it in sixteen others. Even when agents surpass human benchmarks, they do not reach the theoretical performance ceiling for the underlying tasks. These findings indicate that AIRS-Bench is far from saturated and offers substantial room for improvement. We open-source the AIRS-Bench task definitions and evaluation code to catalyze further development in autonomous scientific research.

Jonas Rothfuss, Martin Josifoski, Vincent Fortuin et al.

Meta-Learning aims to speed up the learning process on new tasks by acquiring useful inductive biases from datasets of related learning tasks. While, in practice, the number of related tasks available is often small, most of the existing approaches assume an abundance of tasks; making them unrealistic and prone to overfitting. A central question in the meta-learning literature is how to regularize to ensure generalization to unseen tasks. In this work, we provide a theoretical analysis using the PAC-Bayesian theory and present a generalization bound for meta-learning, which was first derived by Rothfuss et al. (2021a). Crucially, the bound allows us to derive the closed form of the optimal hyper-posterior, referred to as PACOH, which leads to the best performance guarantees. We provide a theoretical analysis and empirical case study under which conditions and to what extent these guarantees for meta-learning improve upon PAC-Bayesian per-task learning bounds. The closed-form PACOH inspires a practical meta-learning approach that avoids the reliance on bi-level optimization, giving rise to a stochastic optimization problem that is amenable to standard variational methods that scale well. Our experiments show that, when instantiating the PACOH with Gaussian processes and Bayesian Neural Networks models, the resulting methods are more scalable, and yield state-of-the-art performance, both in terms of predictive accuracy and the quality of uncertainty estimates.

Karen Hambardzumyan, Nicolas Baldwin, Edan Toledo et al.

Existing research has identified three structural performance bottlenecks in AI research agents: (1) synchronous single-GPU execution constrains sample throughput, limiting the benefit of search; (2) a generalization gap where validation-based selection causes performance to degrade over extended search horizons; and (3) the limited capability of fixed, single-turn LLM operators imposes a ceiling on search performance. We introduce AIRA$_2$, which addresses these bottlenecks through three architectural choices: an asynchronous multi-GPU worker pool that increases experiment throughput linearly; a Hidden Consistent Evaluation protocol that delivers a reliable evaluation signal; and ReAct agents that dynamically scope their actions and debug interactively. On MLE-bench-30, AIRA$_2$ achieves a mean Percentile Rank of 71.8% at 24 hours - surpassing the previous best of 69.9% - and steadily improves to 76.0% at 72 hours. Ablation studies reveal that each component is necessary and that the "overfitting" reported in prior work was driven by evaluation noise rather than true data memorization.

Saibo Geng, Martin Josifoski, Maxime Peyrard et al.

Despite their impressive performance, large language models (LMs) still struggle with reliably generating complex output structures when not finetuned to follow the required output format exactly. To address this issue, grammar-constrained decoding (GCD) can be used to control the generation of LMs, guaranteeing that the output follows a given structure. Most existing GCD methods are, however, limited to specific tasks, such as parsing or code generation. In this work, we demonstrate that formal grammars can describe the output space for a much wider range of tasks and argue that GCD can serve as a unified framework for structured NLP tasks in general. For increased flexibility, we introduce input-dependent grammars, which allow the grammar to depend on the input and thus enable the generation of different output structures for different inputs. We then empirically demonstrate the power and flexibility of GCD-enhanced LMs on (1) information extraction, (2) entity disambiguation, and (3) constituency parsing. Our results indicate that grammar-constrained LMs substantially outperform unconstrained LMs or even beat task-specific finetuned models. Grammar constraints thus hold great promise for harnessing off-the-shelf LMs for a wide range of structured NLP tasks, especially where training data is scarce or finetuning is expensive. Code and data: https://github.com/epfl-dlab/GCD.

Martin Josifoski, Nicola De Cao, Maxime Peyrard et al.

Structured and grounded representation of text is typically formalized by closed information extraction, the problem of extracting an exhaustive set of (subject, relation, object) triplets that are consistent with a predefined set of entities and relations from a knowledge base schema. Most existing works are pipelines prone to error accumulation, and all approaches are only applicable to unrealistically small numbers of entities and relations. We introduce GenIE (generative information extraction), the first end-to-end autoregressive formulation of closed information extraction. GenIE naturally exploits the language knowledge from the pre-trained transformer by autoregressively generating relations and entities in textual form. Thanks to a new bi-level constrained generation strategy, only triplets consistent with the predefined knowledge base schema are produced. Our experiments show that GenIE is state-of-the-art on closed information extraction, generalizes from fewer training data points than baselines, and scales to a previously unmanageable number of entities and relations. With this work, closed information extraction becomes practical in realistic scenarios, providing new opportunities for downstream tasks. Finally, this work paves the way towards a unified end-to-end approach to the core tasks of information extraction. Code, data and models available at https://github.com/epfl-dlab/GenIE.

Ledell Wu, Fabio Petroni, Martin Josifoski et al.

This paper introduces a conceptually simple, scalable, and highly effective BERT-based entity linking model, along with an extensive evaluation of its accuracy-speed trade-off. We present a two-stage zero-shot linking algorithm, where each entity is defined only by a short textual description. The first stage does retrieval in a dense space defined by a bi-encoder that independently embeds the mention context and the entity descriptions. Each candidate is then re-ranked with a cross-encoder, that concatenates the mention and entity text. Experiments demonstrate that this approach is state of the art on recent zero-shot benchmarks (6 point absolute gains) and also on more established non-zero-shot evaluations (e.g. TACKBP-2010), despite its relative simplicity (e.g. no explicit entity embeddings or manually engineered mention tables). We also show that bi-encoder linking is very fast with nearest neighbour search (e.g. linking with 5.9 million candidates in 2 milliseconds), and that much of the accuracy gain from the more expensive cross-encoder can be transferred to the bi-encoder via knowledge distillation. Our code and models are available at https://github.com/facebookresearch/BLINK.

Tim R. Davidson, Veniamin Veselovsky, Martin Josifoski et al. · stanford

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

Giovanni Monea, Maxime Peyrard, Martin Josifoski et al.

Large language models (LLMs) have an impressive ability to draw on novel information supplied in their context. Yet the mechanisms underlying this contextual grounding remain unknown, especially in situations where contextual information contradicts factual knowledge stored in the parameters, which LLMs also excel at recalling. Favoring the contextual information is critical for retrieval-augmented generation methods, which enrich the context with up-to-date information, hoping that grounding can rectify outdated or noisy stored knowledge. We present a novel method to study grounding abilities using Fakepedia, a novel dataset of counterfactual texts constructed to clash with a model's internal parametric knowledge. In this study, we introduce Fakepedia, a counterfactual dataset designed to evaluate grounding abilities when the internal parametric knowledge clashes with the contextual information. We benchmark various LLMs with Fakepedia and conduct a causal mediation analysis of LLM components when answering Fakepedia queries, based on our Masked Grouped Causal Tracing (MGCT) method. Through this analysis, we identify distinct computational patterns between grounded and ungrounded responses. We finally demonstrate that distinguishing grounded from ungrounded responses is achievable through computational analysis alone. Our results, together with existing findings about factual recall mechanisms, provide a coherent narrative of how grounding and factual recall mechanisms interact within LLMs.

Edan Toledo, Karen Hambardzumyan, Martin Josifoski et al. · meta-ai, oxford

AI research agents are demonstrating great potential to accelerate scientific progress by automating the design, implementation, and training of machine learning models. We focus on methods for improving agents' performance on MLE-bench, a challenging benchmark where agents compete in Kaggle competitions to solve real-world machine learning problems. We formalize AI research agents as search policies that navigate a space of candidate solutions, iteratively modifying them using operators. By designing and systematically varying different operator sets and search policies (Greedy, MCTS, Evolutionary), we show that their interplay is critical for achieving high performance. Our best pairing of search strategy and operator set achieves a state-of-the-art result on MLE-bench lite, increasing the success rate of achieving a Kaggle medal from 39.6% to 47.7%. Our investigation underscores the importance of jointly considering the search strategy, operator design, and evaluation methodology in advancing automated machine learning.

Bingchen Zhao, Despoina Magka, Minqi Jiang et al. · meta-ai, oxford

Rapid advancements in large language models (LLMs) have the potential to assist in scientific progress. A critical capability toward this endeavor is the ability to reproduce existing work. To evaluate the ability of AI agents to reproduce results in an active research area, we introduce the Automated LLM Speedrunning Benchmark, leveraging the research community contributions on the NanoGPT speedrun, a competition to train a GPT-2 model in the shortest time. Each of the 19 speedrun tasks provides the agent with the previous records training script, optionally paired with one of three hint formats, ranging from pseudocode to paper-like descriptions of the new records improvements. Records execute quickly by design and speedrun improvements encompass diverse code-level changes, ranging from high-level algorithmic advancements to hardware-aware optimizations. These features make the benchmark both accessible and realistic for the frontier problem of improving LLM training. We find that recent reasoning LLMs combined with SoTA scaffolds struggle to reimplement already-known innovations in our benchmark, even when given detailed hints. Our benchmark thus provides a simple, non-saturated measure of an LLMs ability to automate scientific reproduction, a necessary (but not sufficient) skill for an autonomous research agent.

Mohammad Hossein Amani, Nicolas Mario Baldwin, Amin Mansouri et al.

Traditional language models, adept at next-token prediction in text sequences, often struggle with transduction tasks between distinct symbolic systems, particularly when parallel data is scarce. Addressing this issue, we introduce \textit{symbolic autoencoding} ($Σ$AE), a self-supervised framework that harnesses the power of abundant unparallel data alongside limited parallel data. $Σ$AE connects two generative models via a discrete bottleneck layer and is optimized end-to-end by minimizing reconstruction loss (simultaneously with supervised loss for the parallel data), such that the sequence generated by the discrete bottleneck can be read out as the transduced input sequence. We also develop gradient-based methods allowing for efficient self-supervised sequence learning despite the discreteness of the bottleneck. Our results demonstrate that $Σ$AE significantly enhances performance on transduction tasks, even with minimal parallel data, offering a promising solution for weakly supervised learning scenarios.

Alexis Audran-Reiss, Jordi Armengol Estapé, Karen Hambardzumyan et al.

AI research agents offer the promise to accelerate scientific progress by automating the design, implementation, and training of machine learning models. However, the field is still in its infancy, and the key factors driving the success or failure of agent trajectories are not fully understood. We examine the role that ideation diversity plays in agent performance. First, we analyse agent trajectories on MLE-bench, a well-known benchmark to evaluate AI research agents, across different models and agent scaffolds. Our analysis reveals that different models and agent scaffolds yield varying degrees of ideation diversity, and that higher-performing agents tend to have increased ideation diversity. Further, we run a controlled experiment where we modify the degree of ideation diversity, demonstrating that higher ideation diversity results in stronger performance. Finally, we strengthen our results by examining additional evaluation metrics beyond the standard medal-based scoring of MLE-bench, showing that our findings still hold across other agent performance metrics.

Dimitrios Rontogiannis, Maxime Peyrard, Nicolas Baldwin et al.

Standard single-turn, static benchmarks fall short in evaluating the nuanced capabilities of Large Language Models (LLMs) on complex tasks such as software engineering. In this work, we propose a novel interactive evaluation framework that assesses LLMs on multi-requirement programming tasks through structured, feedback-driven dialogue. Each task is modeled as a requirement dependency graph, and an ``interviewer'' LLM, aware of the ground-truth solution, provides minimal, targeted hints to an ``interviewee'' model to help correct errors and fulfill target constraints. This dynamic protocol enables fine-grained diagnostic insights into model behavior, uncovering strengths and systematic weaknesses that static benchmarks fail to measure. We build on DevAI, a benchmark of 55 curated programming tasks, by adding ground-truth solutions and evaluating the relevance and utility of interviewer hints through expert annotation. Our results highlight the importance of dynamic evaluation in advancing the development of collaborative code-generating agents.

Maxime Peyrard, Martin Josifoski, Robert West

Recent work demonstrated great promise in the idea of orchestrating collaborations between LLMs, human input, and various tools to address the inherent limitations of LLMs. We propose a novel perspective called semantic decoding, which frames these collaborative processes as optimization procedures in semantic space. Specifically, we conceptualize LLMs as semantic processors that manipulate meaningful pieces of information that we call semantic tokens (known thoughts). LLMs are among a large pool of other semantic processors, including humans and tools, such as search engines or code executors. Collectively, semantic processors engage in dynamic exchanges of semantic tokens to progressively construct high-utility outputs. We refer to these orchestrated interactions among semantic processors, optimizing and searching in semantic space, as semantic decoding algorithms. This concept draws a direct parallel to the well-studied problem of syntactic decoding, which involves crafting algorithms to best exploit auto-regressive language models for extracting high-utility sequences of syntactic tokens. By focusing on the semantic level and disregarding syntactic details, we gain a fresh perspective on the engineering of AI systems, enabling us to imagine systems with much greater complexity and capabilities. In this position paper, we formalize the transition from syntactic to semantic tokens as well as the analogy between syntactic and semantic decoding. Subsequently, we explore the possibilities of optimizing within the space of semantic tokens via semantic decoding algorithms. We conclude with a list of research opportunities and questions arising from this fresh perspective. The semantic decoding perspective offers a powerful abstraction for search and optimization directly in the space of meaningful concepts, with semantic tokens as the fundamental units of a new type of computation.

Saibo Geng, Berkay Döner, Chris Wendler et al.

Constrained decoding, a technique for enforcing constraints on language model outputs, offers a way to control text generation without retraining or architectural modifications. Its application is, however, typically restricted to models that give users access to next-token distributions (usually via softmax logits), which poses a limitation with blackbox large language models (LLMs). This paper introduces sketch-guided constrained decoding (SGCD), a novel approach to constrained decoding for blackbox LLMs, which operates without access to the logits of the blackbox LLM. SGCD utilizes a locally hosted auxiliary model to refine the output of an unconstrained blackbox LLM, effectively treating this initial output as a "sketch" for further elaboration. This approach is complementary to traditional logit-based techniques and enables the application of constrained decoding in settings where full model transparency is unavailable. We demonstrate the efficacy of SGCD through experiments in closed information extraction and constituency parsing, showing how it enhances the utility and flexibility of blackbox LLMs for complex NLP tasks.

Veniamin Veselovsky, Manoel Horta Ribeiro, Akhil Arora et al.

Large Language Models (LLMs) have democratized synthetic data generation, which in turn has the potential to simplify and broaden a wide gamut of NLP tasks. Here, we tackle a pervasive problem in synthetic data generation: its generative distribution often differs from the distribution of real-world data researchers care about (in other words, it is unfaithful). In a case study on sarcasm detection, we study three strategies to increase the faithfulness of synthetic data: grounding, filtering, and taxonomy-based generation. We evaluate these strategies using the performance of classifiers trained with generated synthetic data on real-world data. While all three strategies improve the performance of classifiers, we find that grounding works best for the task at hand. As synthetic data generation plays an ever-increasing role in NLP research, we expect this work to be a stepping stone in improving its utility. We conclude this paper with some recommendations on how to generate high(er)-fidelity synthetic data for specific tasks.

Maxime Peyrard, Sarvjeet Singh Ghotra, Martin Josifoski et al.

Large pretrained language models are critical components of modern NLP pipelines. Yet, they suffer from spurious correlations, poor out-of-domain generalization, and biases. Inspired by recent progress in causal machine learning, in particular the invariant risk minimization (IRM) paradigm, we propose invariant language modeling, a framework for learning invariant representations that generalize better across multiple environments. In particular, we adapt a game-theoretic formulation of IRM (IRM-games) to language models, where the invariance emerges from a specific training schedule in which all the environments compete to optimize their own environment-specific loss by updating subsets of the model in a round-robin fashion. We focus on controlled experiments to precisely demonstrate the ability of our method to (i) remove structured noise, (ii) ignore specific spurious correlations without affecting global performance, and (iii) achieve better out-of-domain generalization. These benefits come with a negligible computational overhead compared to standard training, do not require changing the local loss, and can be applied to any language model. We believe this framework is promising to help mitigate spurious correlations and biases in language models.

Jonas Rothfuss, Vincent Fortuin, Martin Josifoski et al.

Meta-learning can successfully acquire useful inductive biases from data. Yet, its generalization properties to unseen learning tasks are poorly understood. Particularly if the number of meta-training tasks is small, this raises concerns about overfitting. We provide a theoretical analysis using the PAC-Bayesian framework and derive novel generalization bounds for meta-learning. Using these bounds, we develop a class of PAC-optimal meta-learning algorithms with performance guarantees and a principled meta-level regularization. Unlike previous PAC-Bayesian meta-learners, our method results in a standard stochastic optimization problem which can be solved efficiently and scales well. When instantiating our PAC-optimal hyper-posterior (PACOH) with Gaussian processes and Bayesian Neural Networks as base learners, the resulting methods yield state-of-the-art performance, both in terms of predictive accuracy and the quality of uncertainty estimates. Thanks to their principled treatment of uncertainty, our meta-learners can also be successfully employed for sequential decision problems.

Martin Josifoski, Ivan S. Paskov, Hristo S. Paskov et al.

There has recently been much interest in extending vector-based word representations to multiple languages, such that words can be compared across languages. In this paper, we shift the focus from words to documents and introduce a method for embedding documents written in any language into a single, language-independent vector space. For training, our approach leverages a multilingual corpus where the same concept is covered in multiple languages (but not necessarily via exact translations), such as Wikipedia. Our method, Cr5 (Crosslingual reduced-rank ridge regression), starts by training a ridge-regression-based classifier that uses language-specific bag-of-word features in order to predict the concept that a given document is about. We show that, when constraining the learned weight matrix to be of low rank, it can be factored to obtain the desired mappings from language-specific bags-of-words to language-independent embeddings. As opposed to most prior methods, which use pretrained monolingual word vectors, postprocess them to make them crosslingual, and finally average word vectors to obtain document vectors, Cr5 is trained end-to-end and is thus natively crosslingual as well as document-level. Moreover, since our algorithm uses the singular value decomposition as its core operation, it is highly scalable. Experiments show that our method achieves state-of-the-art performance on a crosslingual document retrieval task. Finally, although not trained for embedding sentences and words, it also achieves competitive performance on crosslingual sentence and word retrieval tasks.