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Igor Krawczuk

Publications and source records attributed to Igor Krawczuk.

11 recordsLinked to original sources

Graph Convolutional Attention: A Spectral Perspective on Graph Denoising and Diffusion

Denoising graphs is a fundamental problem in graph learning and the core operation of graph diffusion models. Attention-based architectures like graph transformers have recently shown promise in denoising graphs. However, our principled understanding of attention-based graph denoising remains limited, making it unclear whether standard attention is the right mechanism for this task. Here we show that, under a denoising objective, linear attention is suboptimal and can only learn an average spectral denoising filter over the training distribution. This creates a fundamental limitation as graphs often vary spectrally across the distribution. To overcome this limitation, we introduce Spectral Attention, which directly utilizes the input graph spectrum and provably outperforms linear attention by a margin governed by the spectral diversity of the distribution. We then derive Graph Convolutional Attention (GCA), a practical and permutation-equivariant realization of this idea that implements spectral denoising through graph-filtered queries and keys. For stochastic block models, GCA provably matches the idealized Spectral Attention mechanism. We further show that the softmax operation, that follows the attention, provides additional denoising by approximately projecting noisy eigenvectors onto the clean eigenspace. Empirically, replacing linear attention with GCA consistently improves graph denoising and diffusion on synthetic and real datasets, with gains strongly correlated with spectral diversity. In DiGress, GCA matches standard graph-transformer performance without computing expensive structural features, and when combined with the recently proposed PEARL positional encodings, avoids explicit eigendecomposition computations resulting in faster inference without degrading quality. The code can be found here: github.com/shervinkhalafi/graph_conv_att

cs.LG

Open Challenges in Multi-Agent Security: Towards Secure Systems of Interacting AI Agents

AI agents are beginning to interact with each other directly and across internet platforms and physical environments, creating security challenges beyond traditional cybersecurity and AI safety frameworks. Free-form protocols are essential for AI's task generalization but enable new threats like secret collusion and coordinated swarm attacks. Network effects can rapidly spread privacy breaches, disinformation, jailbreaks, and data poisoning, while multi-agent dispersion and stealth optimization help adversaries evade oversight - creating novel persistent threats at a systemic level. Despite their critical importance, these security challenges remain understudied, with research fragmented across disparate fields including AI security, multi-agent learning, complex systems, cybersecurity, game theory, distributed systems, and technical AI governance. We introduce multi-agent security, a new field dedicated to securing networks of AI agents against threats that emerge or amplify through their interactions - whether direct or indirect via shared environments - with each other, humans, and institutions, and characterise fundamental security-utility and security-security trade-offs across both distributed and decentralised settings. Our preliminary work (1) taxonomizes the threat landscape arising from interacting AI agents, (2) offers applications to multi-agent security for work across diffuse subfields, and (3) proposes a unified research agenda addressing open challenges in designing secure agent systems and interaction environments. By identifying these gaps, we aim to guide research in this critical area to unlock the socioeconomic potential of large-scale agent deployment, foster public trust, and mitigate national security risks in critical infrastructure and defense contexts.

cs.CR

Why risk matters for protein binder design

Bayesian optimization (BO) has recently become more prevalent in protein engineering applications and hence has become a fruitful target of benchmarks. However, current BO comparisons often overlook real-world considerations like risk and cost constraints. In this work, we compare 72 model combinations of encodings, surrogate models, and acquisition functions on 11 protein binder fitness landscapes, specifically from this perspective. Drawing from the portfolio optimization literature, we adopt metrics to quantify the cold-start performance relative to a random baseline, to assess the risk of an optimization campaign, and to calculate the overall budget required to reach a fitness threshold. Our results suggest the existence of Pareto-optimal models on the risk-performance axis, the shift of this preference depending on the landscape explored, and the robust correlation between landscape properties such as epistasis with the average and worst-case model performance. They also highlight that rigorous model selection requires substantial computational and statistical efforts.

cs.LG

Multi-Agent Risks from Advanced AI

The rapid development of advanced AI agents and the imminent deployment of many instances of these agents will give rise to multi-agent systems of unprecedented complexity. These systems pose novel and under-explored risks. In this report, we provide a structured taxonomy of these risks by identifying three key failure modes (miscoordination, conflict, and collusion) based on agents' incentives, as well as seven key risk factors (information asymmetries, network effects, selection pressures, destabilising dynamics, commitment problems, emergent agency, and multi-agent security) that can underpin them. We highlight several important instances of each risk, as well as promising directions to help mitigate them. By anchoring our analysis in a range of real-world examples and experimental evidence, we illustrate the distinct challenges posed by multi-agent systems and their implications for the safety, governance, and ethics of advanced AI.

cs.MA

Going beyond Compositions, DDPMs Can Produce Zero-Shot Interpolations

Denoising Diffusion Probabilistic Models (DDPMs) exhibit remarkable capabilities in image generation, with studies suggesting that they can generalize by composing latent factors learned from the training data. In this work, we go further and study DDPMs trained on strictly separate subsets of the data distribution with large gaps on the support of the latent factors. We show that such a model can effectively generate images in the unexplored, intermediate regions of the distribution. For instance, when trained on clearly smiling and non-smiling faces, we demonstrate a sampling procedure which can generate slightly smiling faces without reference images (zero-shot interpolation). We replicate these findings for other attributes as well as other datasets. Our code is available at https://github.com/jdeschena/ddpm-zero-shot-interpolation.

cs.CV

MEDITRON-70B: Scaling Medical Pretraining for Large Language Models

Large language models (LLMs) can potentially democratize access to medical knowledge. While many efforts have been made to harness and improve LLMs' medical knowledge and reasoning capacities, the resulting models are either closed-source (e.g., PaLM, GPT-4) or limited in scale (<= 13B parameters), which restricts their abilities. In this work, we improve access to large-scale medical LLMs by releasing MEDITRON: a suite of open-source LLMs with 7B and 70B parameters adapted to the medical domain. MEDITRON builds on Llama-2 (through our adaptation of Nvidia's Megatron-LM distributed trainer), and extends pretraining on a comprehensively curated medical corpus, including selected PubMed articles, abstracts, and internationally-recognized medical guidelines. Evaluations using four major medical benchmarks show significant performance gains over several state-of-the-art baselines before and after task-specific finetuning. Overall, MEDITRON achieves a 6% absolute performance gain over the best public baseline in its parameter class and 3% over the strongest baseline we finetuned from Llama-2. Compared to closed-source LLMs, MEDITRON-70B outperforms GPT-3.5 and Med-PaLM and is within 5% of GPT-4 and 10% of Med-PaLM-2. We release our code for curating the medical pretraining corpus and the MEDITRON model weights to drive open-source development of more capable medical LLMs.

cs.CL

Distributed Extra-gradient with Optimal Complexity and Communication Guarantees

We consider monotone variational inequality (VI) problems in multi-GPU settings where multiple processors/workers/clients have access to local stochastic dual vectors. This setting includes a broad range of important problems from distributed convex minimization to min-max and games. Extra-gradient, which is a de facto algorithm for monotone VI problems, has not been designed to be communication-efficient. To this end, we propose a quantized generalized extra-gradient (Q-GenX), which is an unbiased and adaptive compression method tailored to solve VIs. We provide an adaptive step-size rule, which adapts to the respective noise profiles at hand and achieve a fast rate of ${\mathcal O}(1/T)$ under relative noise, and an order-optimal ${\mathcal O}(1/\sqrt{T})$ under absolute noise and show distributed training accelerates convergence. Finally, we validate our theoretical results by providing real-world experiments and training generative adversarial networks on multiple GPUs.

cs.LG

Proximal Point Imitation Learning

This work develops new algorithms with rigorous efficiency guarantees for infinite horizon imitation learning (IL) with linear function approximation without restrictive coherence assumptions. We begin with the minimax formulation of the problem and then outline how to leverage classical tools from optimization, in particular, the proximal-point method (PPM) and dual smoothing, for online and offline IL, respectively. Thanks to PPM, we avoid nested policy evaluation and cost updates for online IL appearing in the prior literature. In particular, we do away with the conventional alternating updates by the optimization of a single convex and smooth objective over both cost and Q-functions. When solved inexactly, we relate the optimization errors to the suboptimality of the recovered policy. As an added bonus, by re-interpreting PPM as dual smoothing with the expert policy as a center point, we also obtain an offline IL algorithm enjoying theoretical guarantees in terms of required expert trajectories. Finally, we achieve convincing empirical performance for both linear and neural network function approximation.

cs.LG

DiGress: Discrete Denoising diffusion for graph generation

This work introduces DiGress, a discrete denoising diffusion model for generating graphs with categorical node and edge attributes. Our model utilizes a discrete diffusion process that progressively edits graphs with noise, through the process of adding or removing edges and changing the categories. A graph transformer network is trained to revert this process, simplifying the problem of distribution learning over graphs into a sequence of node and edge classification tasks. We further improve sample quality by introducing a Markovian noise model that preserves the marginal distribution of node and edge types during diffusion, and by incorporating auxiliary graph-theoretic features. A procedure for conditioning the generation on graph-level features is also proposed. DiGress achieves state-of-the-art performance on molecular and non-molecular datasets, with up to 3x validity improvement on a planar graph dataset. It is also the first model to scale to the large GuacaMol dataset containing 1.3M drug-like molecules without the use of molecule-specific representations.

cs.LG

Filling gaps in trustworthy development of AI

The range of application of artificial intelligence (AI) is vast, as is the potential for harm. Growing awareness of potential risks from AI systems has spurred action to address those risks, while eroding confidence in AI systems and the organizations that develop them. A 2019 study found over 80 organizations that published and adopted "AI ethics principles'', and more have joined since. But the principles often leave a gap between the "what" and the "how" of trustworthy AI development. Such gaps have enabled questionable or ethically dubious behavior, which casts doubts on the trustworthiness of specific organizations, and the field more broadly. There is thus an urgent need for concrete methods that both enable AI developers to prevent harm and allow them to demonstrate their trustworthiness through verifiable behavior. Below, we explore mechanisms (drawn from arXiv:2004.07213) for creating an ecosystem where AI developers can earn trust - if they are trustworthy. Better assessment of developer trustworthiness could inform user choice, employee actions, investment decisions, legal recourse, and emerging governance regimes.

cs.AI

Toward Trustworthy AI Development: Mechanisms for Supporting Verifiable Claims

With the recent wave of progress in artificial intelligence (AI) has come a growing awareness of the large-scale impacts of AI systems, and recognition that existing regulations and norms in industry and academia are insufficient to ensure responsible AI development. In order for AI developers to earn trust from system users, customers, civil society, governments, and other stakeholders that they are building AI responsibly, they will need to make verifiable claims to which they can be held accountable. Those outside of a given organization also need effective means of scrutinizing such claims. This report suggests various steps that different stakeholders can take to improve the verifiability of claims made about AI systems and their associated development processes, with a focus on providing evidence about the safety, security, fairness, and privacy protection of AI systems. We analyze ten mechanisms for this purpose--spanning institutions, software, and hardware--and make recommendations aimed at implementing, exploring, or improving those mechanisms.

cs.CY